AMBER Archive (2004) - By Date

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Starting: Thu Jan 01 2004 - 04:51:48 CST
Ending: Thu May 05 2005 - 14:26:38 CDT

Re: AMBER: Antechamber & Ptraj/Rdparm L Jin (Thu Jan 01 2004 - 04:47:18 CST)
Re: AMBER: Antechamber & Ptraj/Rdparm zhaoxc_at_puccini.che.pitt.edu (Thu Jan 01 2004 - 09:05:31 CST)
Re: AMBER: Antechamber & Ptraj/Rdparm Bill Ross (Thu Jan 01 2004 - 16:26:55 CST)
AMBER: Molecular Frame Byungchan Kim (Thu Jan 01 2004 - 21:46:14 CST)
AMBER: algorithm used in AMBER A. Hungie (Fri Jan 02 2004 - 04:07:11 CST)
AMBER: force field A. Hungie (Fri Jan 02 2004 - 06:28:59 CST)
RE: AMBER: force field Ross Walker (Fri Jan 02 2004 - 06:55:24 CST)
RE: AMBER: algorithm used in AMBER Ross Walker (Fri Jan 02 2004 - 07:05:13 CST)
Re: AMBER: Molecular Frame David A. Case (Fri Jan 02 2004 - 10:22:10 CST)
Re: AMBER: Molecular Frame Byungchan Kim (Fri Jan 02 2004 - 17:03:36 CST)
Re: AMBER: Molecular Frame Bill Ross (Fri Jan 02 2004 - 17:40:54 CST)
Re: AMBER: Molecular Frame David A. Case (Sat Jan 03 2004 - 09:51:13 CST)
Re: AMBER: Molecular Frame Byungchan Kim (Sat Jan 03 2004 - 13:00:20 CST)
AMBER: rms in ptraj L Jin (Mon Jan 05 2004 - 08:49:47 CST)
Re: AMBER: rms in ptraj Thomas E. Cheatham, III (Mon Jan 05 2004 - 10:04:20 CST)
AMBER: File format generated by respgen Lishan Yao (Mon Jan 05 2004 - 10:50:38 CST)
AMBER: prep file Youyi Peng (Mon Jan 05 2004 - 17:40:07 CST)
Re: AMBER: prep file Bill Ross (Mon Jan 05 2004 - 17:49:14 CST)
Re: AMBER: prep file James W. Caldwell (Mon Jan 05 2004 - 18:01:20 CST)
AMBER: Radius of gyration Bimo Ario Tejo (Tue Jan 06 2004 - 00:14:37 CST)
AMBER: Parameters for deuterium Charlie Laughton (Tue Jan 06 2004 - 09:17:46 CST)
Re: AMBER: Parameters for deuterium David A. Case (Tue Jan 06 2004 - 10:32:14 CST)
Re: AMBER: Radius of gyration Alexey Onufriev (Tue Jan 06 2004 - 12:59:24 CST)
AMBER: Intel Fortran Compiler 8.0 / pmemd 3.1 warning Robert Duke (Tue Jan 06 2004 - 14:20:44 CST)
AMBER: Atom type L Jin (Wed Jan 07 2004 - 05:26:25 CST)
Re: AMBER: Intel Fortran Compiler 8.0 / pmemd 3.1 warning Andreas Svrcek-Seiler (Wed Jan 07 2004 - 06:12:30 CST)
Re: AMBER: Intel Fortran Compiler 8.0 / pmemd 3.1 warning Viktor Hornak (Wed Jan 07 2004 - 07:46:28 CST)
Re: AMBER: Intel Fortran Compiler 8.0 / pmemd 3.1 warning Robert Duke (Wed Jan 07 2004 - 08:17:27 CST)
Re: AMBER: Intel Fortran Compiler 8.0 / pmemd 3.1 warning Robert Duke (Wed Jan 07 2004 - 08:31:19 CST)
Re: AMBER: Intel Fortran Compiler 8.0 / pmemd 3.1 warning David E. Konerding (Wed Jan 07 2004 - 10:16:49 CST)
AMBER: strange output of MD L Jin (Wed Jan 07 2004 - 10:42:49 CST)
Re: AMBER: strange output of MD Rhonda Torres (Wed Jan 07 2004 - 11:48:54 CST)
Re: AMBER: strange output of MD Bill Ross (Wed Jan 07 2004 - 11:57:13 CST)
Re: AMBER: Atom type Rhonda Torres (Wed Jan 07 2004 - 12:09:17 CST)
Re: AMBER: strange output of MD L Jin (Wed Jan 07 2004 - 12:21:03 CST)
AMBER: .crg file for Delphi a b (Wed Jan 07 2004 - 12:22:34 CST)
Re: AMBER: strange output of MD Bill Ross (Wed Jan 07 2004 - 12:39:35 CST)
Re: AMBER: Atom type Rhonda Torres (Wed Jan 07 2004 - 12:55:40 CST)
AMBER: modeling GPCR in lipid environment Giulio Rastelli (Thu Jan 08 2004 - 10:49:53 CST)
AMBER: Minimiation (AMBER5/AMBER7) does not reach the tageted rmsd Anna Schrey (Thu Jan 08 2004 - 04:30:37 CST)
AMBER: Vlimit problem Yuqin Cai (Thu Jan 08 2004 - 12:15:38 CST)
Re: AMBER: modeling GPCR in lipid environment Alexey Onufriev (Thu Jan 08 2004 - 13:08:01 CST)
AMBER: running on Itanium machines northrop_at_chem.ucla.edu (Thu Jan 08 2004 - 13:14:52 CST)
Re: AMBER: Minimiation (AMBER5/AMBER7) does not reach the tageted rmsd David A. Case (Thu Jan 08 2004 - 18:15:12 CST)
Re: AMBER: Vlimit problem David A. Case (Thu Jan 08 2004 - 18:31:00 CST)
Re: AMBER: running on Itanium machines David A. Case (Fri Jan 09 2004 - 10:43:48 CST)
Re: AMBER: running on Itanium machines northrop_at_chem.ucla.edu (Fri Jan 09 2004 - 13:28:56 CST)
Re: AMBER: Vlimit problem Thomas E. Cheatham, III (Fri Jan 09 2004 - 15:53:10 CST)
AMBER: Amber compilation in IBM-SP4 Jiten (Sat Jan 10 2004 - 02:28:12 CST)
Re: AMBER: Amber compilation in IBM-SP4 David A. Case (Sat Jan 10 2004 - 12:43:06 CST)
AMBER: references? a b (Sun Jan 11 2004 - 08:40:50 CST)
AMBER: Improper dihedral Herbert Georg (Mon Jan 12 2004 - 08:23:22 CST)
Re: AMBER: Improper dihedral Bill Ross (Mon Jan 12 2004 - 12:21:03 CST)
Re: AMBER: Improper dihedral Herbert Georg (Mon Jan 12 2004 - 12:57:39 CST)
Re: AMBER: Improper dihedral Bill Ross (Mon Jan 12 2004 - 13:23:44 CST)
Re: AMBER: Improper dihedral Herbert Georg (Mon Jan 12 2004 - 13:39:12 CST)
Re: AMBER: Improper dihedral Bill Ross (Mon Jan 12 2004 - 13:52:53 CST)
Re: AMBER: Improper dihedral David A. Case (Mon Jan 12 2004 - 14:14:22 CST)
Re: AMBER: Improper dihedral Herbert Georg (Mon Jan 12 2004 - 14:21:39 CST)
AMBER: disulfide bonds Wen Li (Mon Jan 12 2004 - 15:56:26 CST)
Re: AMBER: disulfide bonds David A. Case (Mon Jan 12 2004 - 19:54:48 CST)
Re: AMBER: disulfide bonds/ Engineered bishop (Tue Jan 13 2004 - 08:20:19 CST)
AMBER: error in minimization Itziar Maestre Asenjo (Tue Jan 13 2004 - 09:12:22 CST)
Re: AMBER: Improper dihedral Herbert Georg (Tue Jan 13 2004 - 09:36:29 CST)
Re: AMBER: error in minimization David A. Case (Tue Jan 13 2004 - 10:48:50 CST)
Re: AMBER: disulfide bonds Wen Li (Tue Jan 13 2004 - 12:13:50 CST)
Re: AMBER: disulfide bonds David A. Case (Tue Jan 13 2004 - 12:57:25 CST)
Re: AMBER: charris5 (Tue Jan 13 2004 - 13:07:33 CST)
Re: AMBER: Michael George Lerner (Tue Jan 13 2004 - 13:18:57 CST)
AMBER: LEAP - Error loading units Miguel de Federico (Wed Jan 14 2004 - 11:12:29 CST)
AMBER: DMF box Stefano.Pieraccini_at_unimi.it (Wed Jan 14 2004 - 10:42:02 CST)
Re: AMBER: LEAP - Error loading units Bill Ross (Wed Jan 14 2004 - 13:45:19 CST)
AMBER: "ATTN, need revision" klamothe_at_uiuc.edu (Wed Jan 14 2004 - 14:07:56 CST)
Re: AMBER: "ATTN, need revision" Junmei Wang (Wed Jan 14 2004 - 14:39:47 CST)
AMBER: free energy profile calculation Martina Roeselova (Wed Jan 14 2004 - 15:14:48 CST)
Re: AMBER: error in minimization Itziar Maestre Asenjo (Thu Jan 15 2004 - 00:58:46 CST)
Re: AMBER: free energy profile calculation David Smith (Thu Jan 15 2004 - 08:37:27 CST)
Re: AMBER: free energy profile calculation David A. Case (Thu Jan 15 2004 - 10:32:17 CST)
AMBER: NTF L Jin (Fri Jan 16 2004 - 05:15:16 CST)
Re: AMBER: NTF David A. Case (Fri Jan 16 2004 - 10:09:27 CST)
AMBER: atom type CM Kristina Furse (Fri Jan 16 2004 - 14:37:38 CST)
Re: AMBER: atom type CM Bill Ross (Fri Jan 16 2004 - 15:17:29 CST)
Re: AMBER: atom type CM Junmei Wang (Fri Jan 16 2004 - 15:13:19 CST)
RE: AMBER: atom type CM Kristina Furse (Fri Jan 16 2004 - 15:56:47 CST)
AMBER: GB and Atom Type Steve Seibold (Tue Jan 20 2004 - 09:34:45 CST)
AMBER: Question for PMEMD users Robert Duke (Tue Jan 20 2004 - 10:05:38 CST)
AMBER: restraint tang kwa (Tue Jan 20 2004 - 10:10:39 CST)
AMBER: Parm98 Vs 02 A.Madhumalar (Tue Jan 20 2004 - 10:27:03 CST)
RE: AMBER: atom type CM Junmei Wang (Tue Jan 20 2004 - 10:43:23 CST)
AMBER: PDB files Beale, John (Tue Jan 20 2004 - 10:43:36 CST)
Re: AMBER: GB and Atom Type David A. Case (Tue Jan 20 2004 - 17:03:52 CST)
Re: AMBER: restraint David A. Case (Tue Jan 20 2004 - 17:05:59 CST)
Re: AMBER: Parm98 Vs 02 David A. Case (Tue Jan 20 2004 - 17:08:57 CST)
Re: AMBER: PDB files David A. Case (Tue Jan 20 2004 - 17:12:04 CST)
AMBER: Do I need to repeat MD simulation? aini_at_UMDNJ.EDU (Tue Jan 20 2004 - 17:43:00 CST)
AMBER: segmentation fault in Leap Ioana Cozmuta (Tue Jan 20 2004 - 22:39:28 CST)
Re: AMBER: segmentation fault in Leap Bill Ross (Wed Jan 21 2004 - 03:47:58 CST)
Re: AMBER: Do I need to repeat MD simulation? Andreas Svrcek-Seiler (Wed Jan 21 2004 - 04:40:17 CST)
AMBER: Errors in MM-PBSA??? ML (Wed Jan 21 2004 - 05:46:35 CST)
AMBER: NMODE via MM-PBSA ML (Wed Jan 21 2004 - 06:03:31 CST)
Re: AMBER: Errors in MM-PBSA??? Holger Gohlke (Wed Jan 21 2004 - 06:37:39 CST)
Re: AMBER: NMODE via MM-PBSA Holger Gohlke (Wed Jan 21 2004 - 06:49:48 CST)
Re: AMBER: Do I need to repeat MD simulation? Robert Duke (Wed Jan 21 2004 - 07:44:22 CST)
Re: AMBER: NMODE via MM-PBSA ML (Wed Jan 21 2004 - 07:42:29 CST)
Re: AMBER: Do I need to repeat MD simulation? bishop (Wed Jan 21 2004 - 09:14:45 CST)
AMBER: antechamber and mopac5010mn S. Frank Yan (Wed Jan 21 2004 - 09:37:25 CST)
Re: AMBER: Do I need to repeat MD simulation? Bill Ross (Wed Jan 21 2004 - 10:01:54 CST)
Re: AMBER: antechamber and mopac5010mn David A. Case (Wed Jan 21 2004 - 10:41:53 CST)
AMBER: crystal lattice determination Scott Brozell (Wed Jan 21 2004 - 10:51:37 CST)
Re: AMBER: Parm98 Vs 02 A.Madhumalar (Wed Jan 21 2004 - 11:01:31 CST)
Re: AMBER: Parm98 Vs 02 FyD (Wed Jan 21 2004 - 12:38:31 CST)
Re: AMBER: Do I need to repeat MD simulation? aini_at_UMDNJ.EDU (Wed Jan 21 2004 - 12:42:30 CST)
AMBER: oxs g5 machine file Knut Langsetmo (Wed Jan 21 2004 - 14:10:33 CST)
AMBER: crosslink a residue with a small molecule Eric Hu (Wed Jan 21 2004 - 15:41:08 CST)
AMBER: prep file for zinc finger Wen Li (Wed Jan 21 2004 - 16:02:54 CST)
Re: AMBER: segmentation fault in Leap Ioana Cozmuta (Wed Jan 21 2004 - 23:56:10 CST)
AMBER: remove rotational motion Itziar Maestre Asenjo (Thu Jan 22 2004 - 01:39:15 CST)
AMBER: How does LEaP place Na+ ions? tang kwa (Thu Jan 22 2004 - 04:10:16 CST)
AMBER: restrt L Jin (Thu Jan 22 2004 - 05:03:51 CST)
Re: AMBER: restrt Dr. Yong Duan (Thu Jan 22 2004 - 07:24:40 CST)
Re: AMBER: How does LEaP place Na+ ions? Jose Ramon Blas (Thu Jan 22 2004 - 15:38:03 CST)
Re: AMBER: restrt L Jin (Thu Jan 22 2004 - 08:05:03 CST)
Re: AMBER: segmentation fault in Leap David E. Konerding (Thu Jan 22 2004 - 09:22:47 CST)
Re: AMBER: How does LEaP place Na+ ions? Bill Ross (Thu Jan 22 2004 - 11:12:07 CST)
Re: AMBER: How does LEaP place Na+ ions? Bill Ross (Thu Jan 22 2004 - 11:17:32 CST)
Re: AMBER: restrt Bill Ross (Thu Jan 22 2004 - 11:15:58 CST)
Re: AMBER: segmentation fault in Leap Bill Ross (Thu Jan 22 2004 - 11:37:09 CST)
AMBER: Segmentation fault (core dumped) error of antechamber program S. Frank Yan (Thu Jan 22 2004 - 13:36:54 CST)
Re: AMBER: restrt Dr. Yong Duan (Thu Jan 22 2004 - 20:27:05 CST)
Re: AMBER: crystal lattice determination David A. Case (Thu Jan 22 2004 - 19:20:42 CST)
Re: AMBER: remove rotational motion David A. Case (Thu Jan 22 2004 - 19:21:03 CST)
Re: AMBER: Segmentation fault (core dumped) error of antechamber program David A. Case (Thu Jan 22 2004 - 19:21:40 CST)
AMBER: oxygen positions around a DNA Ioana Cozmuta (Thu Jan 22 2004 - 20:19:51 CST)
Re: AMBER: segmentation fault in Leap Ioana Cozmuta (Fri Jan 23 2004 - 01:26:41 CST)
Re: AMBER: Minimiation (AMBER5/AMBER7) does not reach the tageted rmsd Anna Schrey (Fri Jan 23 2004 - 04:39:47 CST)
AMBER: Problem using GLYCAM with sander Itziar Maestre Asenjo (Fri Jan 23 2004 - 11:05:52 CST)
AMBER: Which program to use to visualize the RESP Outputs derived by AMBER 7 Ilyas Yildirim (Fri Jan 23 2004 - 12:18:23 CST)
Re: AMBER: Which program to use to visualize the RESP Outputs derived by AMBER 7 Joey Harriman (Fri Jan 23 2004 - 12:43:43 CST)
Re: AMBER: Which program to use to visualize the RESP Outputs derived by AMBER 7 Bill Ross (Fri Jan 23 2004 - 13:26:15 CST)
Re: AMBER: Which program to use to visualize the RESP Outputs derived by AMBER 7 FyD (Fri Jan 23 2004 - 13:52:28 CST)
Re: AMBER: Problem using GLYCAM with sander David A. Case (Fri Jan 23 2004 - 15:41:22 CST)
AMBER: phosphothreonine Youyi Peng (Fri Jan 23 2004 - 16:57:06 CST)
AMBER: how to correctly change frcmod? opitz_at_che.udel.edu (Fri Jan 23 2004 - 17:05:38 CST)
AMBER: Fwd: NVE & polarizable force field] Martina Roeselova (Fri Jan 23 2004 - 20:16:32 CST)
Re: AMBER: Fwd: NVE & polarizable force field] Byungchan Kim (Fri Jan 23 2004 - 20:58:04 CST)
AMBER: Memory for AMBER 6 simulation Sergey (Sat Jan 24 2004 - 03:22:56 CST)
Re: AMBER: Problem using GLYCAM with sander Bimo Ario Tejo (Sat Jan 24 2004 - 09:28:15 CST)
Re: AMBER: Fwd: NVE & polarizable force field] darden (Sat Jan 24 2004 - 15:14:55 CST)
Re: AMBER: Fwd: NVE & polarizable force field] David A. Case (Sat Jan 24 2004 - 19:18:45 CST)
AMBER: NTR force constant for restraint !! Jiten (Sun Jan 25 2004 - 01:37:09 CST)
AMBER: Cartitian Restraint Error Jiten (Sun Jan 25 2004 - 08:17:11 CST)
Re: AMBER: Cartitian Restraint Error Jiten (Sun Jan 25 2004 - 08:26:31 CST)
Re: AMBER: Cartitian Restraint Error Bill Ross (Sun Jan 25 2004 - 13:39:58 CST)
Re: AMBER: how to correctly change frcmod? David A. Case (Sun Jan 25 2004 - 19:17:47 CST)
Re: AMBER: Cartitian Restraint Error Jiten (Sun Jan 25 2004 - 19:36:24 CST)
Re: AMBER: How does LEaP place Na+ ions? Jiten (Sun Jan 25 2004 - 19:44:36 CST)
Re: AMBER: Memory for AMBER 6 simulation Bimo Ario Tejo (Mon Jan 26 2004 - 04:39:25 CST)
AMBER: mopac.sh Beale, John (Mon Jan 26 2004 - 08:31:46 CST)
Re: AMBER: mopac.sh Joey Harriman (Mon Jan 26 2004 - 08:46:31 CST)
AMBER: B factors from simulation and from cryst Vlad Cojocaru (Mon Jan 26 2004 - 10:21:50 CST)
AMBER: B factors --- one more explanation Vlad Cojocaru (Mon Jan 26 2004 - 10:25:47 CST)
Re: AMBER: B factors from simulation and from cryst Dr. Yong Duan (Mon Jan 26 2004 - 12:37:29 CST)
FW: AMBER: Segmentation fault (core dumped) error of antechamber program S. Frank Yan (Mon Jan 26 2004 - 12:12:39 CST)
AMBER: installation test question (antechamber, ash) Charles F. Fisher (Mon Jan 26 2004 - 12:16:30 CST)
Re: FW: AMBER: Segmentation fault (core dumped) error of antechamber program David A. Case (Mon Jan 26 2004 - 12:26:38 CST)
AMBER: Suse AMD64 cluster installation Fang, Jianwen (Mon Jan 26 2004 - 12:49:54 CST)
AMBER: ambpdb in AMBER7 Hong Wu (Mon Jan 26 2004 - 12:52:10 CST)
Re: AMBER: ambpdb in AMBER7 Viktor Hornak (Mon Jan 26 2004 - 13:05:47 CST)
Re: AMBER: ambpdb in AMBER7 Hong Wu (Mon Jan 26 2004 - 13:14:28 CST)
Re: AMBER: ambpdb in AMBER7 Florian Barth (Mon Jan 26 2004 - 13:23:36 CST)
Re: AMBER: installation test question (antechamber, ash) David A. Case (Mon Jan 26 2004 - 14:24:26 CST)
Re: AMBER: B factors from simulation and from cryst Joseph Nachman (Mon Jan 26 2004 - 15:23:49 CST)
RE: AMBER: ambpdb in AMBER7 Yong Duan (Mon Jan 26 2004 - 17:34:41 CST)
Re: AMBER: ambpdb in AMBER7 Bill Ross (Mon Jan 26 2004 - 16:40:12 CST)
AMBER: Lattice structures in xleap Brandon Tefft (Mon Jan 26 2004 - 23:11:46 CST)
Re: AMBER: Lattice structures in xleap Bill Ross (Tue Jan 27 2004 - 01:52:38 CST)
AMBER: trajectory file corruption John (Tue Jan 27 2004 - 05:11:54 CST)
Re: AMBER: Which program to use to visualize the RESP Outputs FyD (Tue Jan 27 2004 - 10:59:51 CST)
Re: AMBER: compilation under fedora core 1 James W. Caldwell (Tue Jan 27 2004 - 12:40:48 CST)
AMBER: Error message in antechamber Ilyas Yildirim (Tue Jan 27 2004 - 12:44:26 CST)
Re: AMBER: trajectory file corruption Bill Ross (Tue Jan 27 2004 - 12:54:30 CST)
Re: AMBER: A few questions in the protein unfolding simulations using GB model Bill Ross (Tue Jan 27 2004 - 15:19:10 CST)
AMBER: A few questions in the protein unfolding simulations using GB model Jiayun Pang (Tue Jan 27 2004 - 14:33:15 CST)
Re: AMBER: trajectory file corruption Peter Oelschlaeger (Tue Jan 27 2004 - 12:27:44 CST)
AMBER: compilation under fedora core 1 Carsten Detering (Tue Jan 27 2004 - 12:51:26 CST)
AMBER: SANDER - Abnormal high velocities Miguel de Federico (Wed Jan 28 2004 - 05:16:45 CST)
Re: AMBER: A few questions in the protein unfolding simulations using GB model Jiayun Pang (Wed Jan 28 2004 - 06:20:48 CST)
RE: AMBER: A few questions in the protein unfolding simulations using GB model florent.barbault (Wed Jan 28 2004 - 06:38:13 CST)
AMBER: Normal modes of protein-ligand Martin Lepsik (Wed Jan 28 2004 - 07:43:12 CST)
Re: AMBER: ambpdb in AMBER7 xhu1_at_memphis.edu (Tue Jan 27 2004 - 11:48:37 CST)
AMBER: dielectric constant John (Wed Jan 28 2004 - 08:20:16 CST)
Re: AMBER: dielectric constant Martin Lepsik (Wed Jan 28 2004 - 09:42:05 CST)
Re: AMBER: Normal modes of protein-ligand bishop (Wed Jan 28 2004 - 08:44:20 CST)
Re: AMBER: SANDER - Abnormal high velocities David A. Case (Wed Jan 28 2004 - 10:31:18 CST)
Re: AMBER: SANDER - Abnormal high velocities Carlos Simmerling (Wed Jan 28 2004 - 10:36:45 CST)
Re: AMBER: trajectory file corruption James W. Caldwell (Tue Jan 27 2004 - 12:30:20 CST)
Re: AMBER: Which program to use to visualize the RESP Outputs Ilyas Yildirim (Tue Jan 27 2004 - 12:49:01 CST)
Re: AMBER: A few questions in the protein unfolding simulations using GB model Bill Ross (Wed Jan 28 2004 - 12:21:10 CST)
RE: AMBER: A few questions in the protein unfolding simulations using GB model Bill Ross (Wed Jan 28 2004 - 12:22:55 CST)
Re: AMBER: A few questions in the protein unfolding simulations using GB model Carlos Simmerling (Wed Jan 28 2004 - 12:26:31 CST)
AMBER: LES question Lishan Yao (Wed Jan 28 2004 - 12:52:58 CST)
Re: AMBER: LES question Carlos Simmerling (Wed Jan 28 2004 - 13:03:04 CST)
Re: AMBER: Normal modes of protein-ligand Holger Gohlke (Wed Jan 28 2004 - 13:32:49 CST)
Re: AMBER: Normal modes of protein-ligand Holger Gohlke (Wed Jan 28 2004 - 13:38:57 CST)
Re: AMBER: LES question Lishan Yao (Wed Jan 28 2004 - 16:17:55 CST)
Re: AMBER: LES question Carlos Simmerling (Wed Jan 28 2004 - 16:28:51 CST)
Re: AMBER: Ibelly and Ewald error message when ewald should be off Scott Brozell (Wed Jan 28 2004 - 23:57:06 CST)
AMBER: sander and mpich Thomas Exner (Thu Jan 29 2004 - 02:26:55 CST)
Re: AMBER: Normal modes of protein-ligand Martin Lepsik (Thu Jan 29 2004 - 03:47:22 CST)
AMBER: CYS, CYX and CYM Nikolai Smolin (Thu Jan 29 2004 - 03:56:09 CST)
Re: AMBER: A few questions in the protein unfolding simulations using GB model Jiayun Pang (Thu Jan 29 2004 - 04:47:52 CST)
AMBER: ANAL problem. A.B.S.M Osman gani (Thu Jan 29 2004 - 06:24:19 CST)
AMBER: conversion of amber trajectories to gromos /(xtc) Karin Schleinkofer (Thu Jan 29 2004 - 07:10:28 CST)
Re: AMBER: A few questions in the protein unfolding simulations using GB model Andy Purkiss (Thu Jan 29 2004 - 08:19:22 CST)
Re: AMBER: references? Martin Lepsik (Thu Jan 29 2004 - 09:32:23 CST)
AMBER: XLEAP L Jin (Thu Jan 29 2004 - 08:40:28 CST)
Re: AMBER: XLEAP Martin Lepsik (Thu Jan 29 2004 - 09:43:18 CST)
Re: AMBER: LES question Lishan Yao (Thu Jan 29 2004 - 08:46:22 CST)
Re: AMBER: XLEAP A.B.S.M Osman gani (Thu Jan 29 2004 - 09:19:04 CST)
Re: AMBER: CYS, CYX and CYM A.B.S.M Osman gani (Thu Jan 29 2004 - 09:50:35 CST)
Re: AMBER: LES question Carlos Simmerling (Thu Jan 29 2004 - 10:36:04 CST)
AMBER: question about LES simulation Vlad Cojocaru (Thu Jan 29 2004 - 10:43:25 CST)
AMBER: Moil View on Linux Vlad Cojocaru (Thu Jan 29 2004 - 11:13:57 CST)
AMBER: LES Simulations Vlad Cojocaru (Thu Jan 29 2004 - 11:18:14 CST)
Re: AMBER: LES Simulations Carlos Simmerling (Thu Jan 29 2004 - 11:20:45 CST)
Re: AMBER: Moil View on Linux Carlos Simmerling (Thu Jan 29 2004 - 11:21:20 CST)
Re: AMBER: conversion of amber trajectories to gromos /(xtc) Luis Gracia (Thu Jan 29 2004 - 14:27:48 CST)
Re: AMBER: conversion of amber trajectories to gromos /(xtc) Bill Ross (Thu Jan 29 2004 - 14:43:45 CST)
AMBER: LES error Vlad Cojocaru (Thu Jan 29 2004 - 14:49:49 CST)
Re: AMBER: LES error Carlos Simmerling (Thu Jan 29 2004 - 14:51:28 CST)
AMBER: (No subject) opitz_at_che.udel.edu (Thu Jan 29 2004 - 16:09:47 CST)
Re: AMBER: A few questions in the protein unfolding simulations using GB model David A. Case (Thu Jan 29 2004 - 21:59:24 CST)
Re: AMBER: (No subject) David A. Case (Thu Jan 29 2004 - 22:20:43 CST)
AMBER: test Vlad Cojocaru (Fri Jan 30 2004 - 07:39:14 CST)
Re: AMBER: (No subject) Junmei Wang (Fri Jan 30 2004 - 09:02:50 CST)
Re: AMBER: (No subject) Vlad Cojocaru (Fri Jan 30 2004 - 10:31:10 CST)
Re: AMBER: (No subject) opitz_at_che.udel.edu (Fri Jan 30 2004 - 10:21:30 CST)
Re: AMBER: (No subject) opitz_at_che.udel.edu (Fri Jan 30 2004 - 15:32:01 CST)
Re: AMBER: (No subject) Junmei Wang (Fri Jan 30 2004 - 15:37:46 CST)
Re: AMBER: sander and mpich (which compilers/mpich work) Jerry Grooms (Fri Jan 30 2004 - 17:00:22 CST)
Re: AMBER: sander and mpich (which compilers/mpich work) Carlos Simmerling (Fri Jan 30 2004 - 17:09:09 CST)
Re: AMBER: sander and mpich (which compilers/mpich work) Viktor Hornak (Fri Jan 30 2004 - 19:23:21 CST)
AMBER: Nose Hoover chain thermostat Byungchan Kim (Fri Jan 30 2004 - 19:35:08 CST)
AMBER: sander.LES on IBM SP cluster Vlad Cojocaru (Sat Jan 31 2004 - 04:40:56 CST)
Re: AMBER: sander.LES on IBM SP cluster Carlos Simmerling (Sat Jan 31 2004 - 08:27:30 CST)
Re: AMBER: sander.LES on IBM SP cluster Vlad Cojocaru (Sat Jan 31 2004 - 11:18:56 CST)
AMBER: Installing Amber on IBM AIX cluster Vlad Cojocaru (Sat Jan 31 2004 - 12:50:30 CST)
Re: AMBER: sander.LES on IBM SP cluster David A. Case (Sat Jan 31 2004 - 13:02:01 CST)
AMBER: AMBER on IBM SP cluster Vlad Cojocaru (Sat Jan 31 2004 - 13:07:29 CST)
Re: AMBER: sander.LES on IBM SP cluster Carlos Simmerling (Sat Jan 31 2004 - 13:07:50 CST)
Re: AMBER: sander.LES on IBM SP cluster Vlad Cojocaru (Sat Jan 31 2004 - 13:20:56 CST)
Re: AMBER: sander.LES on IBM SP cluster Carlos Simmerling (Sat Jan 31 2004 - 13:29:23 CST)
Re: AMBER: sander and mpich (which compilers/mpich work) Jerry Grooms (Sat Jan 31 2004 - 14:44:30 CST)
AMBER: Unknown Amber Nomeclature Andrew M K Law (Sat Jan 31 2004 - 16:17:47 CST)
Re: AMBER: sander and mpich (which compilers/mpich work) Jerry Grooms (Sat Jan 31 2004 - 17:08:57 CST)
AMBER: DNA Beale, John (Mon Feb 02 2004 - 07:31:51 CST)
AMBER: convert restart to mdcrd? Karin Schleinkofer (Mon Feb 02 2004 - 08:39:40 CST)
Re: AMBER: convert restart to mdcrd? Dr. Yong Duan (Mon Feb 02 2004 - 10:48:55 CST)
Re: AMBER: convert restart to mdcrd? Vlad Cojocaru (Mon Feb 02 2004 - 09:33:35 CST)
Re: AMBER: convert restart to mdcrd? Vlad Cojocaru (Mon Feb 02 2004 - 10:07:12 CST)
Re: AMBER: convert restart to mdcrd? Vlad Cojocaru (Mon Feb 02 2004 - 10:07:49 CST)
Re: AMBER: convert restart to mdcrd? Dr. Yong Duan (Mon Feb 02 2004 - 11:27:41 CST)
Re: AMBER: convert restart to mdcrd? Teletchéa Stéphane (Mon Feb 02 2004 - 10:17:30 CST)
AMBER: ptraj & LES Vlad Cojocaru (Mon Feb 02 2004 - 10:46:08 CST)
Re: AMBER: DNA David A. Case (Mon Feb 02 2004 - 10:58:26 CST)
AMBER: LEaP- Error reading frcmod parameters. Miguel de Federico (Mon Feb 02 2004 - 12:03:00 CST)
Re: AMBER: ptraj & LES Michael Trieb (Mon Feb 02 2004 - 11:11:08 CST)
Re: AMBER: ptraj & LES Vlad Cojocaru (Mon Feb 02 2004 - 11:22:09 CST)
Re: AMBER: NVE&polarizable force field Martina Roeselova (Mon Feb 02 2004 - 11:33:17 CST)
Re: AMBER: LEaP- Error reading frcmod parameters. David A. Case (Mon Feb 02 2004 - 12:20:43 CST)
Re: AMBER: ANAL problem. David A. Case (Mon Feb 02 2004 - 12:51:02 CST)
AMBER: TI, angle parameters for nitrogen, frcmod Carsten Detering (Mon Feb 02 2004 - 14:38:59 CST)
AMBER: nucleic acid bases nonplanar during LES sim Vlad Cojocaru (Mon Feb 02 2004 - 15:17:09 CST)
AMBER: cell dimensions Dave S Walker (Mon Feb 02 2004 - 15:46:54 CST)
Re: AMBER: nucleic acid bases nonplanar during LES sim Carlos Simmerling (Mon Feb 02 2004 - 15:56:00 CST)
AMBER: temperature in DelPhi for MM-PBSA calculation Qing Zhang (Mon Feb 02 2004 - 16:54:05 CST)
RE: AMBER: temperature in DelPhi for MM-PBSA calculation S. Frank Yan (Mon Feb 02 2004 - 17:18:22 CST)
RE: AMBER: temperature in DelPhi for MM-PBSA calculation Qing Zhang (Mon Feb 02 2004 - 18:58:54 CST)
AMBER: leap - orientation of sequenced residues Sarah Wittkopp (Mon Feb 02 2004 - 19:58:33 CST)
Re: AMBER: temperature in DelPhi for MM-PBSA calculation rluo_at_uci.edu (Mon Feb 02 2004 - 20:45:52 CST)
AMBER: Installing Amber on IBM AIX cluster Wayne Dawson (Tue Feb 03 2004 - 00:11:49 CST)
AMBER: xleap & antechamber L Jin (Tue Feb 03 2004 - 03:46:54 CST)
AMBER: protonation Nikolai Smolin (Tue Feb 03 2004 - 03:50:23 CST)
AMBER: the uses for Amber FFs a b (Tue Feb 03 2004 - 08:48:24 CST)
Re: AMBER: the uses for Amber FFs Vlad Cojocaru (Tue Feb 03 2004 - 08:56:26 CST)
AMBER: What does this error message mean? nie beining (Tue Feb 03 2004 - 09:58:41 CST)
Re: AMBER: What does this error message mean? David A. Case (Tue Feb 03 2004 - 10:12:48 CST)
AMBER: Carnal Herbert Georg (Tue Feb 03 2004 - 10:11:28 CST)
Re: AMBER: What does this error message mean? Carlos Simmerling (Tue Feb 03 2004 - 10:30:56 CST)
Re: AMBER: leap - orientation of sequenced residues David A. Case (Tue Feb 03 2004 - 11:44:50 CST)
Re: AMBER: NVE&polarizable force field Byungchan Kim (Tue Feb 03 2004 - 11:54:55 CST)
Re: AMBER: Carnal Bill Ross (Tue Feb 03 2004 - 12:14:02 CST)
AMBER: Amber on Redhat Enterprise Mingfeng Yang (Tue Feb 03 2004 - 12:23:44 CST)
Re: AMBER: What does this error message mean? Bill Ross (Tue Feb 03 2004 - 12:40:15 CST)
Re: AMBER: Carnal Herbert Georg (Tue Feb 03 2004 - 13:30:33 CST)
Re: AMBER: What does this error message mean? Martina Roeselova (Tue Feb 03 2004 - 13:55:22 CST)
AMBER: A general question aini_at_UMDNJ.EDU (Tue Feb 03 2004 - 17:49:06 CST)
Re: AMBER: A general question Carlos Simmerling (Tue Feb 03 2004 - 18:13:09 CST)
Re: AMBER: A general question aini_at_UMDNJ.EDU (Tue Feb 03 2004 - 19:39:44 CST)
AMBER: NMODE for protein via MM-PBSA-cntd ML (Wed Feb 04 2004 - 10:09:57 CST)
Re: AMBER: NMODE for protein via MM-PBSA-cntd David A. Case (Wed Feb 04 2004 - 10:32:37 CST)
Re: AMBER: NMODE for protein via MM-PBSA-cntd ML (Wed Feb 04 2004 - 11:18:12 CST)
AMBER: rstdip Martina Roeselova (Wed Feb 04 2004 - 11:57:18 CST)
Re: AMBER: rstdip Scott Brozell (Wed Feb 04 2004 - 12:19:45 CST)
Re: AMBER: sander and mpich (which compilers/mpich work) Viktor Hornak (Wed Feb 04 2004 - 13:13:13 CST)
AMBER: carnal Herbert Georg (Wed Feb 04 2004 - 13:18:37 CST)
AMBER: Re: ANAL problem A.B.S.M Osman gani (Wed Feb 04 2004 - 13:31:18 CST)
Re: AMBER: carnal Bill Ross (Wed Feb 04 2004 - 13:40:31 CST)
AMBER: antechamber + mopac error Carsten Detering (Wed Feb 04 2004 - 20:57:48 CST)
AMBER: ptraj Julien Pecher (Thu Feb 05 2004 - 02:46:09 CST)
Re: AMBER: ptraj Bill Ross (Thu Feb 05 2004 - 03:43:59 CST)
AMBER: PMEMD and nmropt=1 aldo jongejan (Thu Feb 05 2004 - 05:52:29 CST)
Re: AMBER: PMEMD and nmropt=1 Robert Duke (Thu Feb 05 2004 - 06:39:58 CST)
RE: AMBER: antechamber + mopac error Meg McCarrick (Thu Feb 05 2004 - 11:12:42 CST)
Re: AMBER: antechamber + mopac error David A. Case (Thu Feb 05 2004 - 11:21:11 CST)
Re: AMBER: Re: ANAL problem David A. Case (Thu Feb 05 2004 - 11:36:05 CST)
Re: AMBER: xleap & antechamber David A. Case (Thu Feb 05 2004 - 11:46:02 CST)
Re: AMBER: TI, angle parameters for nitrogen, frcmod David A. Case (Thu Feb 05 2004 - 11:51:39 CST)
Re: AMBER: cell dimensions David A. Case (Thu Feb 05 2004 - 12:00:41 CST)
Re: AMBER: Re: ANAL problem Bill Ross (Thu Feb 05 2004 - 12:07:58 CST)
AMBER: antechamber error in test / differences in prmtop files Carsten Detering (Thu Feb 05 2004 - 14:07:07 CST)
Re: AMBER: antechamber error in test / differences in prmtop files David A. Case (Thu Feb 05 2004 - 15:11:53 CST)
RE: AMBER: PMEMD and nmropt=1 Kristina Furse (Thu Feb 05 2004 - 15:19:52 CST)
Re: AMBER: PMEMD and nmropt=1 Robert Duke (Thu Feb 05 2004 - 15:45:07 CST)
AMBER: ptraj and dipoles Herbert Georg (Thu Feb 05 2004 - 15:40:24 CST)
Re: AMBER: PMEMD and nmropt=1 David A. Case (Thu Feb 05 2004 - 19:29:41 CST)
AMBER: MCSS Chen, Ya (Thu Feb 05 2004 - 22:33:48 CST)
Re: AMBER: MCSS David A. Case (Fri Feb 06 2004 - 01:12:47 CST)
Re: AMBER: ptraj and dipoles David A. Case (Fri Feb 06 2004 - 01:11:50 CST)
Re: AMBER: questions parm94/99 ff secondary structure Wayne Dawson (Fri Feb 06 2004 - 01:50:07 CST)
AMBER: AMBER 5 (sander) Parallel PME on IBM p630 uddhavesh bhaskar sonavane (Fri Feb 06 2004 - 02:01:24 CST)
AMBER: How to remove Cl- ions Do Anh Tuan (Fri Feb 06 2004 - 04:38:41 CST)
Re: AMBER: How to remove Cl- ions Itziar Maestre Asenjo (Fri Feb 06 2004 - 04:58:05 CST)
Re: AMBER: How to remove Cl- ions Vlad Cojocaru (Fri Feb 06 2004 - 05:09:52 CST)
AMBER: How to remove Cl- ions Wayne Dawson (Fri Feb 06 2004 - 05:19:33 CST)
AMBER: water as a "ligand" in GBSA and MM-PBSA? Giulio Rastelli (Fri Feb 06 2004 - 11:41:50 CST)
Re: AMBER: ptraj and dipoles Herbert Georg (Fri Feb 06 2004 - 05:47:12 CST)
AMBER: How to remove Cl- ions Do Anh Tuan (Fri Feb 06 2004 - 07:24:10 CST)
Re: AMBER: questions parm94/99 ff secondary structure Carlos Simmerling (Fri Feb 06 2004 - 06:58:45 CST)
Re: AMBER: How to remove Cl- ions Bill Ross (Fri Feb 06 2004 - 10:35:27 CST)
AMBER: off-subject ROCKS/Qbank James W. Caldwell (Fri Feb 06 2004 - 14:03:09 CST)
AMBER: ptraj and dipoles.... Herbert Georg (Fri Feb 06 2004 - 15:12:10 CST)
Fwd: Re: AMBER: Lattice structures in xleap Brandon Tefft (Fri Feb 06 2004 - 15:27:50 CST)
Re: Fwd: Re: AMBER: Lattice structures in xleap David A. Case (Fri Feb 06 2004 - 15:54:07 CST)
Re: Fwd: Re: AMBER: Lattice structures in xleap Bill Ross (Fri Feb 06 2004 - 16:21:12 CST)
AMBER: antechamber + mopac +scf failed Carsten Detering (Fri Feb 06 2004 - 18:11:22 CST)
AMBER: antechamber + mopac + MAXIMUM NUMBER OF ATOMIC ORBITALS EXCEEDED Carsten Detering (Fri Feb 06 2004 - 19:50:46 CST)
Re: AMBER: antechamber + mopac + MAXIMUM NUMBER OF ATOMIC ORBITALS EXCEEDED David A. Case (Sat Feb 07 2004 - 10:33:48 CST)
AMBER: adding ions to nucleic acids a b (Sun Feb 08 2004 - 04:47:19 CST)
Re: AMBER: adding ions to nucleic acids Vlad Cojocaru (Sun Feb 08 2004 - 06:25:55 CST)
AMBER: question about the average structure from ptraj aini_at_UMDNJ.EDU (Sun Feb 08 2004 - 13:33:23 CST)
Re: AMBER: adding ions to nucleic acids Bill Ross (Sun Feb 08 2004 - 13:40:50 CST)
Re: AMBER: question about the average structure from ptraj Bill Ross (Sun Feb 08 2004 - 13:47:11 CST)
Re: AMBER: question about the average structure from ptraj Thomas E. Cheatham, III (Sun Feb 08 2004 - 13:49:23 CST)
AMBER: dipole moment in ptraj Herbert Georg (Sun Feb 08 2004 - 12:42:07 CST)
Re: AMBER: dipole moment in ptraj Thomas E. Cheatham, III (Sun Feb 08 2004 - 17:00:55 CST)
AMBER: Aldo's PMEMD bug Robert Duke (Mon Feb 09 2004 - 07:53:43 CST)
AMBER: antechamber error jwfang (Mon Feb 09 2004 - 09:50:17 CST)
Re: AMBER: Aldo's PMEMD bug aldo jongejan (Mon Feb 09 2004 - 09:44:39 CST)
Re: AMBER: antechamber error David A. Case (Mon Feb 09 2004 - 10:22:07 CST)
Re: AMBER: antechamber error Carsten Detering (Mon Feb 09 2004 - 11:38:41 CST)
RE: AMBER: antechamber error Fang, Jianwen (Mon Feb 09 2004 - 12:00:28 CST)
AMBER: antechamber + FAILED TO ACHIEVE SCF Carsten Detering (Mon Feb 09 2004 - 13:17:41 CST)
Re: AMBER: antechamber + FAILED TO ACHIEVE SCF Junmei Wang (Mon Feb 09 2004 - 13:27:02 CST)
Re: AMBER: antechamber + FAILED TO ACHIEVE SCF Carsten Detering (Mon Feb 09 2004 - 16:02:10 CST)
Re: AMBER: antechamber + FAILED TO ACHIEVE SCF David A. Case (Mon Feb 09 2004 - 16:17:49 CST)
AMBER: Nmode convergence ML (Tue Feb 10 2004 - 01:36:27 CST)
Re: AMBER: Nmode convergence ML (Tue Feb 10 2004 - 09:26:12 CST)
AMBER: Temperature in Nmode ML (Tue Feb 10 2004 - 09:25:12 CST)
AMBER: minimization output L Jin (Tue Feb 10 2004 - 10:36:25 CST)
Re: AMBER: Nmode convergence David A. Case (Tue Feb 10 2004 - 10:34:17 CST)
Re: AMBER: Temperature in Nmode David A. Case (Tue Feb 10 2004 - 10:42:06 CST)
Re: AMBER: Temperature in Nmode ML (Tue Feb 10 2004 - 14:46:19 CST)
AMBER: LES question Lishan Yao (Tue Feb 10 2004 - 14:47:20 CST)
Re: AMBER: LES question Vlad Cojocaru (Tue Feb 10 2004 - 15:01:12 CST)
Re: AMBER: LES question Lishan Yao (Tue Feb 10 2004 - 15:02:18 CST)
AMBER: Nitrogen vdw type Terry Downing (Tue Feb 10 2004 - 16:56:37 CST)
Re: AMBER: minimization output David A. Case (Tue Feb 10 2004 - 15:05:59 CST)
AMBER: Installing AMBER on SGI Octane 2-CPU - erfcfun.c compile prob. Joseph E. Maxwell (Tue Feb 10 2004 - 17:36:26 CST)
Re: AMBER: Installing AMBER on SGI Octane 2-CPU - erfcfun.c compile prob. David A. Case (Tue Feb 10 2004 - 17:54:45 CST)
Re: AMBER: LES question xiaolin cheng (Tue Feb 10 2004 - 18:14:31 CST)
AMBER: Box of mixed solvant FyD (Tue Feb 10 2004 - 22:18:42 CST)
Re: AMBER: adding ions to nucleic acids Dr. Yong Duan (Tue Feb 10 2004 - 23:54:58 CST)
Re: AMBER: Box of mixed solvant Dr. Yong Duan (Wed Feb 11 2004 - 00:09:28 CST)
Re: AMBER: Nmode convergence ML (Wed Feb 11 2004 - 02:14:31 CST)
Re: AMBER: LES question Carlos Simmerling (Wed Feb 11 2004 - 07:48:48 CST)
Re: AMBER: LES question Lishan Yao (Wed Feb 11 2004 - 08:16:01 CST)
AMBER: atom type for GBSA aini_at_UMDNJ.EDU (Wed Feb 11 2004 - 09:13:04 CST)
Re: AMBER: atom type for GBSA David A. Case (Wed Feb 11 2004 - 11:33:04 CST)
Re: AMBER: LES question Carlos Simmerling (Wed Feb 11 2004 - 11:55:27 CST)
Re: AMBER: LES question Lishan Yao (Wed Feb 11 2004 - 13:20:54 CST)
Re: AMBER: LES question Carlos Simmerling (Wed Feb 11 2004 - 13:43:58 CST)
Re: AMBER: LES question Lishan Yao (Wed Feb 11 2004 - 13:52:09 CST)
Re: AMBER: LES question Carlos Simmerling (Wed Feb 11 2004 - 14:03:44 CST)
AMBER: GBSA frequency update Sergio E. Wong (Wed Feb 11 2004 - 17:29:10 CST)
Re: AMBER: GBSA frequency update David A. Case (Thu Feb 12 2004 - 00:09:34 CST)
AMBER: Run calculations for protein in Amber Ma³gorzata Jaroñczyk (Thu Feb 12 2004 - 03:18:20 CST)
AMBER: ptraj Karin Schleinkofer (Thu Feb 12 2004 - 04:57:47 CST)
Re: AMBER: ptraj Vlad Cojocaru (Thu Feb 12 2004 - 05:45:55 CST)
Re: AMBER: Run calculations for protein in Amber Carlos Simmerling (Thu Feb 12 2004 - 07:18:32 CST)
Re: AMBER: LES question Lishan Yao (Thu Feb 12 2004 - 07:59:02 CST)
Re: AMBER: Run calculations for protein in Amber-distance dependent dielectric function Ma³gorzata Jaroñczyk (Thu Feb 12 2004 - 08:28:59 CST)
Re: AMBER: Run calculations for protein in Amber-distance dependent dielectric function Vlad Cojocaru (Thu Feb 12 2004 - 08:34:31 CST)
AMBER: TER in amber Lishan Yao (Thu Feb 12 2004 - 09:04:03 CST)
AMBER: MM-PBSA: molecular charges and active site water Anselm Horn (Thu Feb 12 2004 - 09:23:05 CST)
Re: AMBER: TER in amber Vlad Cojocaru (Thu Feb 12 2004 - 09:56:04 CST)
AMBER: center of mass in CARNAL Herbert Georg (Thu Feb 12 2004 - 10:15:17 CST)
Re: AMBER: TER in amber Lishan Yao (Thu Feb 12 2004 - 10:17:02 CST)
Re: AMBER: Run calculations for protein in Amber-distance dependent dielectric function David A. Case (Thu Feb 12 2004 - 10:41:16 CST)
Re: AMBER: TER in amber David A. Case (Thu Feb 12 2004 - 10:56:45 CST)
Re: AMBER: ptraj Thomas E. Cheatham, III (Thu Feb 12 2004 - 12:03:36 CST)
Re: AMBER: TER in amber Lishan Yao (Thu Feb 12 2004 - 12:08:29 CST)
Re: AMBER: TER in amber Lishan Yao (Thu Feb 12 2004 - 11:12:45 CST)
AMBER: neutrality of charge in AMBER 7 Sichun Yang (Thu Feb 12 2004 - 14:51:51 CST)
Re: AMBER: MM-PBSA: molecular charges and active site water David A. Case (Thu Feb 12 2004 - 22:06:56 CST)
Re: AMBER: MM-PBSA: molecular charges and active site water ML (Fri Feb 13 2004 - 01:30:23 CST)
Re: AMBER: TER in amber Vlad Cojocaru (Fri Feb 13 2004 - 02:35:41 CST)
Re: AMBER: minimization output L Jin (Fri Feb 13 2004 - 03:49:52 CST)
AMBER: Re: To David Case Ma³gorzata Jaroñczyk (Fri Feb 13 2004 - 05:25:52 CST)
Re: AMBER: neutrality of charge in AMBER 7 David A. Case (Sat Feb 14 2004 - 14:10:22 CST)
AMBER: minimizating complex-protein with AMBER susan.costantini_at_unina2.it (Sun Feb 15 2004 - 03:27:00 CST)
AMBER: problem with tleap in Amber donna j (Sun Feb 15 2004 - 20:44:25 CST)
AMBER: problem with tleap in Amber donna j (Sun Feb 15 2004 - 21:01:27 CST)
Re: AMBER: problem with tleap in Amber David A. Case (Sun Feb 15 2004 - 23:10:31 CST)
Re: AMBER: minimizating complex-protein with AMBER David A. Case (Sun Feb 15 2004 - 23:14:02 CST)
AMBER: MM-PBSA:??Decomposition of receptor energies?? ML (Mon Feb 16 2004 - 03:18:17 CST)
Re: AMBER: MM-PBSA:??Decomposition of receptor energies?? Holger Gohlke (Mon Feb 16 2004 - 04:09:07 CST)
AMBER: SIGSEGV John (Mon Feb 16 2004 - 04:43:36 CST)
AMBER: TIP4P Nikolai Smolin (Mon Feb 16 2004 - 04:58:56 CST)
AMBER: IFC COMPILER Obdulia Rabal (Mon Feb 16 2004 - 06:54:00 CST)
Re: AMBER: IFC COMPILER Robert Duke (Mon Feb 16 2004 - 07:18:03 CST)
AMBER: carnal Julien Pecher (Mon Feb 16 2004 - 07:17:33 CST)
AMBER: DIELC L Jin (Mon Feb 16 2004 - 07:51:35 CST)
AMBER: bad crd file John (Mon Feb 16 2004 - 09:30:26 CST)
Re: AMBER: MM-PBSA:??Decomposition of receptor energies?? ML (Mon Feb 16 2004 - 09:59:04 CST)
AMBER: image in ptraj Lishan Yao (Mon Feb 16 2004 - 10:11:25 CST)
Re: AMBER: SIGSEGV David A. Case (Mon Feb 16 2004 - 10:30:18 CST)
Re: AMBER: TIP4P David A. Case (Mon Feb 16 2004 - 10:36:37 CST)
AMBER: TIP4P extended Nikolai Smolin (Mon Feb 16 2004 - 11:06:30 CST)
AMBER: TIP4P extended Nikolai Smolin (Mon Feb 16 2004 - 11:10:19 CST)
Re: AMBER: TIP4P extended Sarah Wittkopp (Mon Feb 16 2004 - 11:21:15 CST)
Re: AMBER: TIP4P extended David A. Case (Mon Feb 16 2004 - 11:37:32 CST)
Re: AMBER: carnal Bill Ross (Mon Feb 16 2004 - 12:37:54 CST)
Re: AMBER: bad crd file Bill Ross (Mon Feb 16 2004 - 12:51:57 CST)
AMBER: saveamberparm warning in leap? opitz_at_che.udel.edu (Mon Feb 16 2004 - 15:24:45 CST)
AMBER: multiple messages on the amber reflector David A. Case (Mon Feb 16 2004 - 17:33:40 CST)
Re: AMBER: saveamberparm warning in leap? David A. Case (Mon Feb 16 2004 - 19:04:17 CST)
AMBER: moil-view question S. Frank Yan (Mon Feb 16 2004 - 20:43:57 CST)
Re: AMBER: MM-PBSA:??Decomposition of receptor energies?? Holger Gohlke (Tue Feb 17 2004 - 01:24:25 CST)
AMBER: John (Tue Feb 17 2004 - 04:05:22 CST)
AMBER: flexible water potential Herbert Georg (Tue Feb 17 2004 - 05:22:12 CST)
Re: AMBER: moil-view question Carlos Simmerling (Tue Feb 17 2004 - 07:38:59 CST)
Re: AMBER: moil-view question Teletchéa Stéphane (Tue Feb 17 2004 - 07:49:31 CST)
AMBER: Close contact warnings L Jin (Tue Feb 17 2004 - 08:29:57 CST)
AMBER: RESP charges for protein fragment Tom Turner (Tue Feb 17 2004 - 10:20:15 CST)
Re: AMBER: Close contact warnings David A. Case (Tue Feb 17 2004 - 10:39:22 CST)
Re: AMBER: Close contact warnings L Jin (Tue Feb 17 2004 - 12:14:37 CST)
Re: AMBER: Close contact warnings David A. Case (Tue Feb 17 2004 - 12:37:06 CST)
AMBER: How to add H+ ion in leap? xinchen (Tue Feb 17 2004 - 13:46:10 CST)
Re: AMBER: center of mass in CARNAL Bill Ross (Tue Feb 17 2004 - 14:25:43 CST)
Re: AMBER: How to add H+ ion in leap? Bill Ross (Tue Feb 17 2004 - 14:29:17 CST)
Re: AMBER: How to add H+ ion in leap? xinchen (Tue Feb 17 2004 - 14:43:18 CST)
AMBER: (no subject) ThuZar Lwin (Tue Feb 17 2004 - 14:52:40 CST)
Re: AMBER: How to add H+ ion in leap? Bill Ross (Tue Feb 17 2004 - 15:09:01 CST)
Re: AMBER: (no subject) Bill Ross (Tue Feb 17 2004 - 15:17:39 CST)
Re: AMBER: (no subject) ThuZar Lwin (Tue Feb 17 2004 - 15:33:30 CST)
AMBER: multiple messages on the amber reflector Amber Administration (Tue Feb 17 2004 - 16:27:52 CST)
AMBER: contributed parameters (modified base - PSU) Shau Grossman (Tue Feb 17 2004 - 20:14:16 CST)
RE: AMBER: contributed parameters (modified base - PSU) S. Frank Yan (Tue Feb 17 2004 - 20:32:56 CST)
AMBER: Segmentation fault in SaveAmberParm xinchen (Tue Feb 17 2004 - 21:31:35 CST)
Re: AMBER: Close contact warnings L Jin (Wed Feb 18 2004 - 04:14:55 CST)
Re: AMBER: Close contact warnings Michael George Lerner (Wed Feb 18 2004 - 07:58:50 CST)
AMBER: histidine and its various forms Stern, Julie (Wed Feb 18 2004 - 08:38:31 CST)
Re: AMBER: histidine and its various forms David A. Case (Wed Feb 18 2004 - 09:58:44 CST)
Re: AMBER: Close contact warnings L Jin (Wed Feb 18 2004 - 10:55:55 CST)
Re: AMBER: contributed parameters FyD (Wed Feb 18 2004 - 11:12:04 CST)
Re: AMBER: histidine and its various forms Peter Oelschlaeger (Wed Feb 18 2004 - 12:10:49 CST)
Re: AMBER: Close contact warnings Bill Ross (Wed Feb 18 2004 - 12:20:38 CST)
Re: AMBER: Close contact warnings L Jin (Wed Feb 18 2004 - 12:56:49 CST)
RE: AMBER: Close contact warnings Yong Duan (Wed Feb 18 2004 - 13:07:36 CST)
Re: AMBER: Segmentation fault in SaveAmberParm Xin Chen (Wed Feb 18 2004 - 13:12:53 CST)
AMBER: sander + ewald bomb Carsten Detering (Wed Feb 18 2004 - 13:20:51 CST)
Re: AMBER: Close contact warnings Bill Ross (Wed Feb 18 2004 - 13:29:19 CST)
Re: AMBER: Close contact warnings David A. Case (Wed Feb 18 2004 - 13:34:24 CST)
AMBER: GLYCAM web site Scott Brozell (Wed Feb 18 2004 - 14:00:39 CST)
AMBER: MD simulations with 2 molecules Joey Harriman (Wed Feb 18 2004 - 14:32:47 CST)
Re: AMBER: sander + ewald bomb Michael Crowley (Wed Feb 18 2004 - 15:13:42 CST)
Re: AMBER: sander + ewald bomb David A. Case (Wed Feb 18 2004 - 16:00:40 CST)
Re: AMBER: MD simulations with 2 molecules David A. Case (Wed Feb 18 2004 - 16:15:04 CST)
AMBER: check unit + saveamberparm Carsten Detering (Wed Feb 18 2004 - 20:21:58 CST)
AMBER: tmd question hj zou (Wed Feb 18 2004 - 20:58:45 CST)
AMBER: mm_pbsa question hj zou (Wed Feb 18 2004 - 21:22:00 CST)
AMBER: pmf calculation using gibbs. Myunggi Yi (Wed Feb 18 2004 - 23:22:46 CST)
Re: AMBER: pmf calculation using gibbs. David A. Case (Wed Feb 18 2004 - 22:45:57 CST)
AMBER: compiling software(RESP) on MAC G5 yu275197_at_yorku.ca (Wed Feb 18 2004 - 22:47:12 CST)
Re: AMBER: compiling software(RESP) on MAC G5 Scott Brozell (Wed Feb 18 2004 - 23:36:06 CST)
AMBER: compiling software(RESP) yu275197_at_yorku.ca (Thu Feb 19 2004 - 00:02:36 CST)
AMBER: LCPO parameters in gbsa Giulio Rastelli (Thu Feb 19 2004 - 10:53:56 CST)
AMBER: distance-aromatic ring John (Thu Feb 19 2004 - 05:03:56 CST)
Re: AMBER: pmf calculation using gibbs. Myunggi Yi (Thu Feb 19 2004 - 09:13:30 CST)
RE: AMBER: Close contact warnings L Jin (Thu Feb 19 2004 - 09:11:54 CST)
Re: AMBER: tmd question Carlos Simmerling (Thu Feb 19 2004 - 10:17:51 CST)
Re: AMBER: pmf calculation using gibbs. David A. Case (Thu Feb 19 2004 - 10:27:33 CST)
Re: AMBER: compiling software(RESP) on MAC G5 FyD (Thu Feb 19 2004 - 10:27:54 CST)
Re: AMBER: Close contact warnings David A. Case (Thu Feb 19 2004 - 10:30:15 CST)
AMBER: prep files for modified bases Wen Li (Thu Feb 19 2004 - 10:58:01 CST)
Re: AMBER: compiling software(RESP) on MAC G5 James W. Caldwell (Thu Feb 19 2004 - 12:50:28 CST)
AMBER: LES Petr Jeøábek (Thu Feb 19 2004 - 12:10:50 CST)
RE: AMBER: Close contact warnings Bill Ross (Thu Feb 19 2004 - 13:25:33 CST)
AMBER: Build a H+ ion in Leap? Xin Chen (Thu Feb 19 2004 - 13:40:40 CST)
Re: AMBER: distance-aromatic ring Bill Ross (Thu Feb 19 2004 - 13:41:32 CST)
Re: AMBER: Build a H+ ion in Leap? Bill Ross (Thu Feb 19 2004 - 14:00:38 CST)
Re: AMBER: Build a H+ ion in Leap? xinchen (Thu Feb 19 2004 - 14:19:20 CST)
Re: AMBER: compiling software(RESP) on MAC G5 David A. Case (Thu Feb 19 2004 - 14:21:39 CST)
Re: AMBER: prep files for modified bases David A. Case (Thu Feb 19 2004 - 14:23:41 CST)
AMBER: how to add force field parameters Ioana Cozmuta (Thu Feb 19 2004 - 14:27:02 CST)
Re: AMBER: LES Carlos Simmerling (Thu Feb 19 2004 - 14:26:21 CST)
Re: AMBER: compiling software(RESP) on MAC G5 Lifeng Tian_at_PantherServer (Thu Feb 19 2004 - 14:41:05 CST)
Re: AMBER: LES Petr Jeøábek (Thu Feb 19 2004 - 15:08:38 CST)
Re: AMBER: LES Carlos Simmerling (Thu Feb 19 2004 - 15:11:58 CST)
Re: AMBER: Build a H+ ion in Leap? Bill Ross (Thu Feb 19 2004 - 15:22:08 CST)
Re: AMBER: LES Viktor Hornak (Thu Feb 19 2004 - 15:30:32 CST)
Re: AMBER: LES Petr Jeøábek (Thu Feb 19 2004 - 16:10:00 CST)
Re: AMBER: LES Carlos Simmerling (Thu Feb 19 2004 - 16:13:07 CST)
Re: AMBER: sander output Dave S Walker (Thu Feb 19 2004 - 17:55:59 CST)
Re: AMBER: contributed parameters Shau Grossman (Thu Feb 19 2004 - 20:55:46 CST)
Re: AMBER: sander output David A. Case (Thu Feb 19 2004 - 23:54:32 CST)
Re: AMBER: minimization output Anna Schrey (Fri Feb 20 2004 - 03:07:40 CST)
Re: AMBER: minimization output L Jin (Fri Feb 20 2004 - 04:36:35 CST)
AMBER: The charge given by xleap from amber 5 Ben Cossins (Fri Feb 20 2004 - 06:25:55 CST)
AMBER: LES methodology question Vlad Cojocaru (Fri Feb 20 2004 - 06:12:14 CST)
Re: AMBER: LES methodology question Carlos Simmerling (Fri Feb 20 2004 - 07:01:06 CST)
AMBER: ions94.lib file Wen Li (Fri Feb 20 2004 - 11:10:06 CST)
Re: AMBER: contributed parameters FyD (Fri Feb 20 2004 - 11:08:34 CST)
Re: AMBER: contributed parameters Shau Grossman (Fri Feb 20 2004 - 15:46:04 CST)
Re: AMBER: sander output Dave S Walker (Fri Feb 20 2004 - 15:47:24 CST)
Re: AMBER: contributed parameters FyD (Fri Feb 20 2004 - 18:05:48 CST)
re: AMBER: check unit + saveamberparm S. Frank Yan (Fri Feb 20 2004 - 18:17:41 CST)
AMBER: Defining residues opitz_at_che.udel.edu (Sat Feb 21 2004 - 22:34:56 CST)
AMBER: xleap don't recognize my residue/atom scopio (Sun Feb 22 2004 - 05:18:42 CST)
Re: AMBER: xleap don't recognize my residue/atom Rhonda Torres (Sun Feb 22 2004 - 16:23:59 CST)
AMBER: Can anybody help me with CHARMM Gabbar Daaku (Sun Feb 22 2004 - 21:13:09 CST)
Re: AMBER: Can anybody help me with CHARMM Piotr Cieplak (Sun Feb 22 2004 - 21:49:21 CST)
AMBER: How to add ACE and NME groups? Ma³gorzata Jaroñczyk (Mon Feb 23 2004 - 03:47:00 CST)
AMBER: protein - fractional native contacts uddhavesh bhaskar sonavane (Mon Feb 23 2004 - 05:50:06 CST)
AMBER: pka calculation hj zou (Mon Feb 23 2004 - 07:33:00 CST)
Re: AMBER: How to add ACE and NME groups? David A. Case (Mon Feb 23 2004 - 10:47:05 CST)
Re: AMBER: Defining residues David A. Case (Mon Feb 23 2004 - 10:49:58 CST)
AMBER: Thermostat comparison ? MD Tyka, Biochemistry (Mon Feb 23 2004 - 11:41:56 CST)
Re: AMBER: Defining residues Bill Ross (Mon Feb 23 2004 - 12:04:33 CST)
Re: AMBER: LCPO parameters in gbsa David A. Case (Mon Feb 23 2004 - 12:51:46 CST)
Re: AMBER: Defining residues opitz_at_che.udel.edu (Mon Feb 23 2004 - 13:02:58 CST)
AMBER: how to use prep file Fang, Jianwen (Mon Feb 23 2004 - 13:15:19 CST)
Re: AMBER: Defining residues Bill Ross (Mon Feb 23 2004 - 14:14:46 CST)
RE: AMBER: how to use prep file Kristina Furse (Mon Feb 23 2004 - 14:14:20 CST)
Re: AMBER: how to use prep file David A. Case (Mon Feb 23 2004 - 14:19:30 CST)
RE: AMBER: how to use prep file Bill Ross (Mon Feb 23 2004 - 14:30:37 CST)
Re: AMBER: Defining residues John Bushnell (Mon Feb 23 2004 - 14:44:44 CST)
Re: AMBER: Defining residues opitz_at_che.udel.edu (Mon Feb 23 2004 - 15:35:44 CST)
AMBER: problem with frcmod file donna j (Mon Feb 23 2004 - 15:47:12 CST)
Re: AMBER: Defining residues opitz_at_che.udel.edu (Mon Feb 23 2004 - 15:47:51 CST)
Re: AMBER: Defining residues John Bushnell (Mon Feb 23 2004 - 16:19:48 CST)
Re: AMBER: Defining residues Bill Ross (Mon Feb 23 2004 - 16:39:48 CST)
Re: AMBER: problem with frcmod file David A. Case (Mon Feb 23 2004 - 16:43:59 CST)
Re: AMBER: problem with frcmod file Bill Ross (Mon Feb 23 2004 - 16:44:08 CST)
Re: AMBER: Defining residues John Bushnell (Mon Feb 23 2004 - 17:39:46 CST)
AMBER: R.E.D. Shau Grossman (Mon Feb 23 2004 - 19:20:44 CST)
Re: AMBER: R.E.D. FyD (Mon Feb 23 2004 - 19:42:13 CST)
Re: AMBER: R.E.D. Shau Grossman (Mon Feb 23 2004 - 20:13:43 CST)
AMBER: Can you write me how can I add the ACE and NMe groups in the Xleap? Ma³gorzata Jaroñczyk (Tue Feb 24 2004 - 08:59:46 CST)
Re: AMBER: How to add ACE and NME groups? Ben Cossins (Tue Feb 24 2004 - 10:47:43 CST)
Re: AMBER: R.E.D. FyD (Tue Feb 24 2004 - 10:16:57 CST)
AMBER: carnal Youyi Peng (Tue Feb 24 2004 - 10:36:11 CST)
Re: AMBER: carnal Bill Ross (Tue Feb 24 2004 - 11:49:16 CST)
AMBER: add Na+ L Jin (Tue Feb 24 2004 - 12:23:55 CST)
RE: AMBER: add Na+ Ross Walker (Tue Feb 24 2004 - 12:42:28 CST)
RE: AMBER: add Na+ Bill Ross (Tue Feb 24 2004 - 13:07:07 CST)
RE: AMBER: add Na+ L Jin (Tue Feb 24 2004 - 13:29:36 CST)
RE: AMBER: add Na+ Bill Ross (Tue Feb 24 2004 - 13:33:34 CST)
Re: AMBER: add Na+ David A. Case (Tue Feb 24 2004 - 13:35:06 CST)
AMBER: Star like (branching) molecule opitz_at_che.udel.edu (Tue Feb 24 2004 - 16:54:45 CST)
Re: AMBER: Star like (branching) molecule John Bushnell (Tue Feb 24 2004 - 17:33:45 CST)
Re: AMBER: Star like (branching) molecule Bill Ross (Tue Feb 24 2004 - 17:40:13 CST)
Re: AMBER: Star like (branching) molecule Bill Ross (Tue Feb 24 2004 - 17:51:10 CST)
RE: AMBER: add Na+ L Jin (Wed Feb 25 2004 - 04:33:02 CST)
Re: AMBER: Can anybody help me with CHARMM Tru Huynh (Wed Feb 25 2004 - 07:36:18 CST)
AMBER: PGA Beale, John (Wed Feb 25 2004 - 07:09:46 CST)
AMBER: NMR restraints-Floating point exception John (Wed Feb 25 2004 - 08:44:52 CST)
AMBER: pmf calculation using gibbs Myunggi Yi (Wed Feb 25 2004 - 10:47:25 CST)
Re: AMBER: NMR restraints-Floating point exception David A. Case (Wed Feb 25 2004 - 10:17:46 CST)
RE: AMBER: NMR restraints-Floating point exception John (Wed Feb 25 2004 - 12:19:25 CST)
RE: AMBER: add Na+ Bill Ross (Wed Feb 25 2004 - 12:31:43 CST)
AMBER: Errors when running tleap Ann P (Wed Feb 25 2004 - 15:13:53 CST)
Re: AMBER: Errors when running tleap Bill Ross (Wed Feb 25 2004 - 15:31:54 CST)
AMBER: averaged structure with unknown elements Youyi Peng (Wed Feb 25 2004 - 15:32:54 CST)
Re: AMBER: averaged structure with unknown elements Bill Ross (Wed Feb 25 2004 - 15:49:40 CST)
Re: AMBER: averaged structure with unknown elements David A. Case (Wed Feb 25 2004 - 16:15:25 CST)
AMBER: mmpbsa qustion hj zou (Wed Feb 25 2004 - 19:23:37 CST)
Re: AMBER: mmpbsa qustion Holger Gohlke (Thu Feb 26 2004 - 01:29:06 CST)
Re: AMBER: pmf calculation using gibbs David Smith (Thu Feb 26 2004 - 02:57:02 CST)
Re: AMBER: mmpbsa qustion James W. Caldwell (Thu Feb 26 2004 - 12:06:13 CST)
Re: AMBER: problem with frcmod file donna j (Thu Feb 26 2004 - 12:23:25 CST)
Re: AMBER: problem with frcmod file James W. Caldwell (Thu Feb 26 2004 - 12:45:44 CST)
RE: AMBER: Errors when running tleap Ann P (Thu Feb 26 2004 - 13:21:03 CST)
RE: AMBER: Errors when running tleap Bill Ross (Thu Feb 26 2004 - 13:47:05 CST)
AMBER: size.h error Emmanuel Giudice (Thu Feb 26 2004 - 15:15:20 CST)
Re: AMBER: size.h error Surjit Dixit (Thu Feb 26 2004 - 15:53:20 CST)
Re: AMBER: size.h error David A. Case (Thu Feb 26 2004 - 16:48:29 CST)
AMBER: sander + vlimit exceed... Carsten Detering (Thu Feb 26 2004 - 17:16:31 CST)
AMBER: pka calculation hj zou (Fri Feb 27 2004 - 20:42:34 CST)
Re: AMBER: pka calculation Florian Barth (Sat Feb 28 2004 - 09:46:04 CST)
AMBER: PB in mm-pbsa Sue Heavner (Sat Feb 28 2004 - 10:30:05 CST)
Re: AMBER: PB in mm-pbsa Holger Gohlke (Sun Feb 29 2004 - 08:02:29 CST)
Re: AMBER: problem with frcmod file donna j (Sun Feb 29 2004 - 13:43:24 CST)
AMBER: Jiten (Mon Mar 01 2004 - 08:04:17 CST)
Re: AMBER: sander + vlimit exceed... David A. Case (Mon Mar 01 2004 - 08:50:23 CST)
Re: AMBER: ML (Mon Mar 01 2004 - 08:49:18 CST)
AMBER: GIBBS + vlimit exceeded Miguel de Federico (Mon Mar 01 2004 - 11:17:44 CST)
AMBER: ptraj Carsten Detering (Mon Mar 01 2004 - 11:23:26 CST)
Re: AMBER: Piotr Cieplak (Mon Mar 01 2004 - 11:38:49 CST)
AMBER: production input file Ryan Ye (Mon Mar 01 2004 - 12:58:48 CST)
AMBER: Problems with xleap Javier Perez Miron (Thu Feb 26 2004 - 19:18:11 CST)
Re: AMBER: production input file darden (Mon Mar 01 2004 - 16:32:35 CST)
RE: AMBER: ptraj Ross Walker (Mon Mar 01 2004 - 17:25:41 CST)
RE: AMBER: Problems with xleap Ross Walker (Mon Mar 01 2004 - 17:25:23 CST)
Re: AMBER: Problems with xleap Rhonda Torres (Mon Mar 01 2004 - 18:02:23 CST)
Re: AMBER: Jiten (Mon Mar 01 2004 - 18:14:13 CST)
Re: AMBER: xleap don't recognize my residue/atom scopio (Tue Mar 02 2004 - 02:00:31 CST)
RE: AMBER: xleap don't recognize my residue/atom Ross Walker (Tue Mar 02 2004 - 11:44:13 CST)
AMBER: error in minimization atchara_at_mercury.hec.utah.edu (Tue Mar 02 2004 - 11:47:14 CST)
RE: AMBER: xleap don't recognize my residue/atom Rhonda Torres (Tue Mar 02 2004 - 12:11:07 CST)
Re: AMBER: ptraj Carsten Detering (Tue Mar 02 2004 - 12:48:35 CST)
AMBER: A question about RMSD calculation yonchen (Tue Mar 02 2004 - 13:05:13 CST)
AMBER: How to use tleap convert *.pdb file to *.crd and *.top files yonchen (Tue Mar 02 2004 - 13:08:55 CST)
Re: AMBER: How to use tleap convert *.pdb file to *.crd and *.top files Carsten Detering (Tue Mar 02 2004 - 13:18:42 CST)
Re: AMBER: error in minimization David A. Case (Tue Mar 02 2004 - 13:41:36 CST)
Re: AMBER: A question about RMSD calculation David A. Case (Tue Mar 02 2004 - 13:52:05 CST)
Re: AMBER: A question about RMSD calculation Bill Ross (Tue Mar 02 2004 - 13:53:11 CST)
Re: AMBER: How to use tleap convert *.pdb file to *.crd and *.top files David A. Case (Tue Mar 02 2004 - 13:53:31 CST)
AMBER: diffusion coefficient with external applied electric field Ioana Cozmuta (Tue Mar 02 2004 - 14:36:35 CST)
AMBER: General Questions Sekwan Oh (Tue Mar 02 2004 - 18:07:08 CST)
Re: AMBER: General Questions David A. Case (Wed Mar 03 2004 - 07:22:14 CST)
AMBER: HIV-RT Nevirapin Annette Höglund (Wed Mar 03 2004 - 09:37:40 CST)
AMBER: torsion term Guanglei Cui (Wed Mar 03 2004 - 10:48:36 CST)
AMBER: questions about mmpbsa xhu1_at_memphis.edu (Wed Mar 03 2004 - 13:48:12 CST)
AMBER: pls forget my first question in my last email xhu1_at_memphis.edu (Wed Mar 03 2004 - 14:02:06 CST)
AMBER: compiling xleap on MAC OS X.3 Yunfeng Hu (Wed Mar 03 2004 - 16:19:57 CST)
Re: AMBER: compiling xleap on MAC OS X.3 Bill Ross (Wed Mar 03 2004 - 16:37:50 CST)
Re: AMBER: compiling xleap on MAC OS X.3 Yunfeng Hu (Wed Mar 03 2004 - 16:43:53 CST)
Re: AMBER: compiling xleap on MAC OS X.3 Bill Ross (Wed Mar 03 2004 - 17:16:53 CST)
AMBER: Use tleap convert *.pdb file to *.top and *.crd file yonchen (Wed Mar 03 2004 - 22:01:04 CST)
AMBER: Question about RMSD calculation yonchen (Wed Mar 03 2004 - 22:25:01 CST)
Re: AMBER: Question about RMSD calculation Carlos Simmerling (Wed Mar 03 2004 - 22:43:58 CST)
AMBER: Leap atom removal bug? david.evans_at_ulsop.ac.uk (Thu Mar 04 2004 - 04:30:01 CST)
Re: AMBER: Leap atom removal bug? david.evans_at_ulsop.ac.uk (Thu Mar 04 2004 - 05:30:00 CST)
Re: AMBER: Leap atom removal bug? Bill Ross (Thu Mar 04 2004 - 07:06:44 CST)
Re: AMBER: Use tleap convert *.pdb file to *.top and *.crd file Bill Ross (Thu Mar 04 2004 - 07:11:45 CST)
Re: AMBER: Leap atom removal bug? David A. Case (Thu Mar 04 2004 - 10:00:08 CST)
AMBER: Glycam_04.prep Karl N. Kirschner (Thu Mar 04 2004 - 10:20:24 CST)
AMBER: Sorry about that... Karl N. Kirschner (Thu Mar 04 2004 - 10:22:53 CST)
Re: AMBER: Use tleap convert *.pdb file to *.top and *.crd file David A. Case (Thu Mar 04 2004 - 10:47:10 CST)
AMBER: conversion of Amber 7 .pdb file to .bgf file Peter Oelschlaeger (Thu Mar 04 2004 - 16:31:43 CST)
Re: AMBER: conversion of Amber 7 .pdb file to .bgf file David A. Case (Thu Mar 04 2004 - 16:59:21 CST)
Re: AMBER: conversion of Amber 7 .pdb file to .bgf file Peter Oelschlaeger (Thu Mar 04 2004 - 20:00:34 CST)
AMBER: PKA calculation hj zou (Fri Mar 05 2004 - 00:34:21 CST)
AMBER: positive binding free energy hj zou (Fri Mar 05 2004 - 00:53:18 CST)
AMBER: MD at different pH !! Jiten (Fri Mar 05 2004 - 00:30:30 CST)
Re: AMBER: questions about mmpbsa Holger Gohlke (Fri Mar 05 2004 - 01:35:57 CST)
Re: AMBER: positive binding free energy Holger Gohlke (Fri Mar 05 2004 - 02:30:35 CST)
AMBER: AMBER7 sander compiled on SGI R10000 fails to complete test suite james.m.woolven_at_gsk.com (Fri Mar 05 2004 - 06:40:31 CST)
AMBER: Sander problem with different CPU yuann (Fri Mar 05 2004 - 06:29:49 CST)
Re: AMBER: Sander problem with different CPU Carlos Simmerling (Fri Mar 05 2004 - 07:27:22 CST)
Re: AMBER: Sander problem with different CPU Robert Duke (Fri Mar 05 2004 - 07:39:37 CST)
AMBER: Unbinding with different pH Volodymyr Nechiporuk-Zloy (Fri Mar 05 2004 - 08:10:23 CST)
Re: AMBER: conversion of Amber 7 .pdb file to .bgf file David A. Case (Fri Mar 05 2004 - 10:16:19 CST)
Re: AMBER: MD at different pH !! David A. Case (Fri Mar 05 2004 - 10:23:27 CST)
AMBER: Ewald calculation using PME for charged system Byungchan Kim (Fri Mar 05 2004 - 12:13:43 CST)
Re: AMBER: AMBER7 sander compiled on SGI R10000 fails to complete test suite David A. Case (Fri Mar 05 2004 - 12:20:26 CST)
Re: AMBER: Use tleap convert *.pdb file to *.top and *.crd file Carsten Detering (Fri Mar 05 2004 - 12:19:18 CST)
Re: AMBER: MD at different pH !! Xin Chen (Fri Mar 05 2004 - 14:04:46 CST)
Re: AMBER: conversion of Amber 7 .pdb file to .bgf file Peter Oelschlaeger (Fri Mar 05 2004 - 14:47:59 CST)
Re: AMBER: MD at different pH !! Do Anh Tuan (Fri Mar 05 2004 - 15:11:25 CST)
Re: AMBER: MD at different pH !! David A. Case (Fri Mar 05 2004 - 19:43:19 CST)
Re: AMBER: Leap atom removal bug? Scott Brozell (Fri Mar 05 2004 - 20:34:16 CST)
Re: AMBER: MD at different pH !! Bimo Ario Tejo (Fri Mar 05 2004 - 20:43:36 CST)
Re: AMBER: MD at different pH !! Do Anh Tuan (Fri Mar 05 2004 - 22:20:04 CST)
Re: AMBER: MD at different pH !! Bimo Ario Tejo (Fri Mar 05 2004 - 22:58:39 CST)
Re: AMBER: MD at different pH !! Jiten (Sat Mar 06 2004 - 01:37:27 CST)
Re: AMBER: MD at different pH !! Bimo Ario Tejo (Sat Mar 06 2004 - 06:18:15 CST)
AMBER: A Question about RESP ::©¾¸Û:: (Sat Mar 06 2004 - 06:39:22 CST)
Re: AMBER: A Question about RESP Bimo Ario Tejo (Sat Mar 06 2004 - 07:31:51 CST)
Re: AMBER: A Question about RESP Ming-Hsun Ho (Sat Mar 06 2004 - 07:58:44 CST)
Re: AMBER: A Question about RESP Jiten (Sat Mar 06 2004 - 08:42:01 CST)
Re: AMBER: A Question about RESP Jiten (Sat Mar 06 2004 - 08:41:15 CST)
Re: AMBER: A Question about RESP Ming-Hsun Ho (Sat Mar 06 2004 - 09:28:25 CST)
Re: AMBER: A Question about RESP Ming-Hsun Ho (Sat Mar 06 2004 - 09:58:38 CST)
Re: AMBER: Sander problem with different CPU sychen (Sat Mar 06 2004 - 19:40:25 CST)
Re: AMBER: A Question about RESP Jiten (Sat Mar 06 2004 - 20:54:52 CST)
AMBER: pka questions hj zou (Sat Mar 06 2004 - 21:22:54 CST)
Re: AMBER: A Question about RESP Ming-Hsun Ho (Sun Mar 07 2004 - 00:15:16 CST)
AMBER: antechamber prepin Guanglei Cui (Sun Mar 07 2004 - 13:03:22 CST)
Re: AMBER: antechamber prepin David A. Case (Mon Mar 08 2004 - 00:49:48 CST)
Re: AMBER: Sander problem with different CPU Carlos Simmerling (Mon Mar 08 2004 - 08:45:19 CST)
Re: AMBER: antechamber prepin Guanglei Cui (Mon Mar 08 2004 - 10:22:40 CST)
AMBER: factor used in b-factor calculation Fabian Boes (Tue Mar 09 2004 - 02:12:11 CST)
AMBER: a problem about alanine scan of proline luocheng (Tue Mar 09 2004 - 03:00:27 CST)
AMBER: Amber on RedHat 3.0 madeleine.richard_at_bull.net (Tue Mar 09 2004 - 03:39:47 CST)
AMBER: MD simulation of a DNA decamer Thomas Steinbrecher (Tue Mar 09 2004 - 04:10:15 CST)
Re: AMBER: MD simulation of a DNA decamer Vlad Cojocaru (Tue Mar 09 2004 - 04:35:25 CST)
Re: AMBER: factor used in b-factor calculation ML (Tue Mar 09 2004 - 04:36:57 CST)
AMBER: what's the meaning of parameter NRUN scopio (Tue Mar 09 2004 - 07:40:51 CST)
Re: AMBER: what's the meaning of parameter NRUN Carlos Simmerling (Tue Mar 09 2004 - 08:04:29 CST)
AMBER: NMR restraint in sander Lishan Yao (Tue Mar 09 2004 - 08:19:30 CST)
Re: AMBER: NMR restraint in sander Guanglei Cui (Tue Mar 09 2004 - 08:55:15 CST)
Re: AMBER: what's the meaning of parameter NRUN David A. Case (Tue Mar 09 2004 - 09:23:56 CST)
AMBER: Residue question opitz_at_che.udel.edu (Tue Mar 09 2004 - 10:29:22 CST)
AMBER: mol2 vs. prepin opitz_at_che.udel.edu (Tue Mar 09 2004 - 10:53:46 CST)
Re: AMBER: mol2 vs. prepin Guanglei Cui (Tue Mar 09 2004 - 11:05:22 CST)
RE: AMBER: MD simulation of a DNA decamer Ross Walker (Tue Mar 09 2004 - 12:07:35 CST)
AMBER: Ewald calculation using PME for charged system Byungchan Kim (Tue Mar 09 2004 - 15:04:31 CST)
Re: AMBER: Ewald calculation using PME for charged system David A. Case (Tue Mar 09 2004 - 16:58:29 CST)
Re: AMBER: Ewald calculation using PME for charged system Byungchan Kim (Tue Mar 09 2004 - 17:09:18 CST)
Re: AMBER: what's the meaning of parameter NRUN scopio (Tue Mar 09 2004 - 19:25:07 CST)
AMBER: sander + child process died Carsten Detering (Tue Mar 09 2004 - 20:18:21 CST)
Re: AMBER: Ewald calculation using PME for charged system Wayne Dawson (Tue Mar 09 2004 - 21:28:36 CST)
Re: AMBER: what's the meaning of parameter NRUN David A. Case (Wed Mar 10 2004 - 00:31:33 CST)
AMBER: positive binding free energy hj zou (Wed Mar 10 2004 - 00:43:58 CST)
Re: AMBER: Ewald calculation using PME for charged system David A. Case (Wed Mar 10 2004 - 02:11:54 CST)
Re: AMBER: factor used in b-factor calculation Bimo Ario Tejo (Wed Mar 10 2004 - 05:02:46 CST)
RE: AMBER: positive binding free energy Yong Duan (Wed Mar 10 2004 - 09:47:37 CST)
Re: AMBER: Residue question David A. Case (Wed Mar 10 2004 - 10:10:11 CST)
AMBER: Some questions in building a new residue Chung-Chien Wei (Wed Mar 10 2004 - 11:16:37 CST)
Re: AMBER: Some questions in building a new residue Vlad Cojocaru (Wed Mar 10 2004 - 11:28:55 CST)
Re: AMBER: Some questions in building a new residue Ilyas Yildirim (Wed Mar 10 2004 - 12:57:11 CST)
Re: AMBER: Some questions in building a new residue Chung-Chien Wei (Wed Mar 10 2004 - 13:49:33 CST)
Re: AMBER: Some questions in building a new residue FyD (Wed Mar 10 2004 - 14:31:25 CST)
AMBER: residue insertion Yunfeng Hu (Wed Mar 10 2004 - 18:24:52 CST)
Re: AMBER: residue insertion David A. Case (Thu Mar 11 2004 - 01:00:39 CST)
AMBER: positive binding free energy hj zou (Thu Mar 11 2004 - 07:59:09 CST)
Re: AMBER: positive binding free energy Natasja Brooijmans (Thu Mar 11 2004 - 10:10:41 CST)
Re: AMBER: positive binding free energy Jiri Sponer (Thu Mar 11 2004 - 11:02:18 CST)
RE: AMBER: A question about RMSD calculation Obdulia Rabal (Thu Mar 11 2004 - 12:09:25 CST)
AMBER: PMEMD COMPILATION REDHAT Obdulia Rabal (Thu Mar 11 2004 - 12:36:45 CST)
Re: AMBER: PMEMD COMPILATION REDHAT Robert Duke (Thu Mar 11 2004 - 12:57:45 CST)
AMBER: Atomic Charge in Residue opitz_at_che.udel.edu (Thu Mar 11 2004 - 13:29:21 CST)
AMBER: compiling on SGI Beale, John (Thu Mar 11 2004 - 15:26:22 CST)
Re: AMBER: compiling on SGI Scott Brozell (Thu Mar 11 2004 - 16:24:36 CST)
AMBER: recovering total force array Dave S Walker (Thu Mar 11 2004 - 20:20:57 CST)
Re: AMBER: PMEMD COMPILATION REDHAT David Smith (Fri Mar 12 2004 - 07:55:13 CST)
Re: AMBER: recovering total force array David A. Case (Fri Mar 12 2004 - 11:13:57 CST)
AMBER: Resizing sizes.h and recompiling problem! Marco Aurelio Correia Preto (Sat Mar 13 2004 - 08:38:56 CST)
AMBER: Anal module on PDBs Sanjeev B.S. (Sat Mar 13 2004 - 09:35:31 CST)
Re: AMBER: Resizing sizes.h and recompiling problem! David A. Case (Sat Mar 13 2004 - 12:03:39 CST)
Re: AMBER: Resizing sizes.h and recompiling problem! Stefano.Pieraccini_at_unimi.it (Sat Mar 13 2004 - 12:03:07 CST)
Re: AMBER: Resizing sizes.h and recompiling problem! Carlos Simmerling (Sat Mar 13 2004 - 13:24:44 CST)
RE: AMBER: Anal module on PDBs Sanjeev B.S. (Sat Mar 13 2004 - 13:25:07 CST)
Re: AMBER: Anal module on PDBs Bill Ross (Sat Mar 13 2004 - 18:17:25 CST)
AMBER: xleap couldn't display any word scopio (Sun Mar 14 2004 - 20:45:42 CST)
AMBER: Release announcement for Amber 8 David A. Case (Mon Mar 15 2004 - 00:39:25 CST)
AMBER: new wed site for amber tutorials Juan Fernandez-Carmona (Mon Mar 15 2004 - 02:57:29 CST)
Re: AMBER: new wed site for amber tutorials scopio (Mon Mar 15 2004 - 02:17:19 CST)
AMBER: How to convert charmm parameters to amber scopio (Mon Mar 15 2004 - 03:55:11 CST)
AMBER: NMODE COMPILATION Obdulia Rabal (Mon Mar 15 2004 - 04:58:11 CST)
Re: AMBER: NMODE COMPILATION Anselm Horn (Mon Mar 15 2004 - 05:34:50 CST)
AMBER: [Fwd: No timings from jac test on opteron quad] Arvid Soderhall (Mon Mar 15 2004 - 07:28:02 CST)
RE: AMBER: A Question about RESP William Wei (Mon Mar 15 2004 - 09:23:57 CST)
Re: AMBER: new wed site for amber tutorials David A. Case (Mon Mar 15 2004 - 09:35:16 CST)
AMBER: Hydrogen Bond-statistics John (Mon Mar 15 2004 - 10:56:53 CST)
Re: AMBER: xleap couldn't display any word John Bushnell (Mon Mar 15 2004 - 13:46:50 CST)
AMBER: antechamber/mopac question opitz_at_che.udel.edu (Mon Mar 15 2004 - 14:20:24 CST)
Re: AMBER: xleap couldn't display any word scopio (Mon Mar 15 2004 - 19:44:47 CST)
Re: AMBER: antechamber/mopac question David A. Case (Mon Mar 15 2004 - 19:56:51 CST)
AMBER: rdparm/ptraj writeparm david.evans_at_ulsop.ac.uk (Tue Mar 16 2004 - 02:57:16 CST)
AMBER: re:can i get help from you? hj zou (Tue Mar 16 2004 - 07:53:48 CST)
Re: AMBER: rdparm/ptraj writeparm Thomas E. Cheatham, III (Tue Mar 16 2004 - 11:04:47 CST)
AMBER: literature question/residue charges opitz_at_che.udel.edu (Tue Mar 16 2004 - 14:09:43 CST)
AMBER: AMBER6 manual Joseph Nachman (Tue Mar 16 2004 - 15:09:53 CST)
AMBER: trajectory file Joseph Nachman (Tue Mar 16 2004 - 15:11:58 CST)
Re: AMBER: trajectory file Bill Ross (Tue Mar 16 2004 - 14:54:10 CST)
Re: AMBER: AMBER6 manual David A. Case (Tue Mar 16 2004 - 15:30:52 CST)
Re: AMBER: literature question/residue charges Piotr Cieplak (Tue Mar 16 2004 - 16:07:21 CST)
AMBER: How to use these parameters? scopio (Tue Mar 16 2004 - 19:15:15 CST)
AMBER: description of toplogy file format? Oliver Hucke (Tue Mar 16 2004 - 19:44:10 CST)
Re: AMBER: description of toplogy file format? David A. Case (Tue Mar 16 2004 - 19:57:26 CST)
AMBER: segmentation fault with sander Carsten Detering (Tue Mar 16 2004 - 20:29:55 CST)
Re: AMBER: How to use these parameters? Juan Fernandez-Carmona (Wed Mar 17 2004 - 02:41:39 CST)
Re: AMBER: How to use these parameters? scopio (Wed Mar 17 2004 - 03:31:28 CST)
Re: AMBER: rdparm/ptraj writeparm + leap problem david.evans_at_ulsop.ac.uk (Wed Mar 17 2004 - 03:36:51 CST)
AMBER: MD problem. Osman Gani (Wed Mar 17 2004 - 05:07:47 CST)
AMBER: amber98 with amberffc+INSIGHT II a b (Wed Mar 17 2004 - 08:28:58 CST)
AMBER: protein-protein interaction Oscar Rey i Puiggròs (Wed Mar 17 2004 - 08:50:06 CST)
Re: AMBER: amber98 with amberffc+INSIGHT II FyD (Wed Mar 17 2004 - 09:50:28 CST)
AMBER: Preparing complex in Xleap for Amber calculations warka_at_il.waw.pl (Wed Mar 17 2004 - 10:02:38 CST)
Re: AMBER: rdparm/ptraj writeparm + leap problem David A. Case (Wed Mar 17 2004 - 10:33:34 CST)
Re: AMBER: MD problem. David A. Case (Wed Mar 17 2004 - 10:36:04 CST)
Re: AMBER: protein-protein interaction David A. Case (Wed Mar 17 2004 - 10:37:40 CST)
Re: AMBER: Preparing complex in Xleap for Amber calculations David A. Case (Wed Mar 17 2004 - 10:39:27 CST)
Re: AMBER: rdparm/ptraj writeparm + leap problem david.evans_at_ulsop.ac.uk (Wed Mar 17 2004 - 10:50:16 CST)
AMBER: using LJ 10-12 non bonded potential for glycoproteins in Amber8 Tom Turner (Wed Mar 17 2004 - 12:49:18 CST)
Re: AMBER: using LJ 10-12 non bonded potential for glycoproteins in Amber8 David A. Case (Wed Mar 17 2004 - 13:26:00 CST)
AMBER: segmentation fault Hailong Lin (Thu Mar 18 2004 - 06:48:24 CST)
AMBER: segmentation fault when convert pdb to mol2 Ye Mei (Thu Mar 18 2004 - 07:02:44 CST)
Re: AMBER: segmentation fault when convert pdb to mol2 David A. Case (Thu Mar 18 2004 - 10:13:42 CST)
Re: AMBER: segmentation fault David A. Case (Thu Mar 18 2004 - 10:19:04 CST)
Re: AMBER: segmentation fault Bill Ross (Thu Mar 18 2004 - 12:22:24 CST)
AMBER: alignment problem using carnal xhu1_at_memphis.edu (Thu Mar 18 2004 - 13:48:55 CST)
Re: Re: AMBER: segmentation fault when convert pdb to mol2 Ye Mei (Thu Mar 18 2004 - 18:38:21 CST)
AMBER: About RESP Calculation Ilyas Yildirim (Fri Mar 19 2004 - 01:20:16 CST)
Re: AMBER: segmentation fault Hailong Lin (Fri Mar 19 2004 - 06:41:50 CST)
Re: AMBER: About RESP Calculation David A. Case (Fri Mar 19 2004 - 10:14:29 CST)
Re: AMBER: About RESP Calculation FyD (Fri Mar 19 2004 - 11:45:22 CST)
Re: AMBER: About RESP Calculation Ilyas Yildirim (Fri Mar 19 2004 - 13:50:13 CST)
Re: AMBER: About RESP Calculation FyD (Fri Mar 19 2004 - 14:10:19 CST)
Re: AMBER: About RESP Calculation David A. Case (Fri Mar 19 2004 - 14:15:39 CST)
Re: AMBER: About RESP Calculation Piotr Cieplak (Fri Mar 19 2004 - 14:20:42 CST)
Re: AMBER: About RESP Calculation FyD (Fri Mar 19 2004 - 14:30:00 CST)
AMBER: About RESP Calculation Chris Moth (Fri Mar 19 2004 - 15:38:40 CST)
Re: AMBER: residue insertion Scott Brozell (Fri Mar 19 2004 - 17:01:02 CST)
Re: AMBER: About RESP Calculation Qing Zhang (Sat Mar 20 2004 - 00:43:03 CST)
AMBER: understanding SANDER source code myang (Sat Mar 20 2004 - 09:33:33 CST)
AMBER: EWALD BOMB? Ryan Ye (Sat Mar 20 2004 - 13:28:01 CST)
Re: AMBER: About RESP Calculation FyD (Sun Mar 21 2004 - 01:30:41 CST)
Re: AMBER: understanding SANDER source code Scott Brozell (Sun Mar 21 2004 - 13:47:40 CST)
RE: AMBER: understanding SANDER source code Yong Duan (Sun Mar 21 2004 - 20:32:03 CST)
AMBER: langevin dynamics Wei Fu (Sun Mar 21 2004 - 21:22:27 CST)
AMBER: Compilation problem in SUN OS 5.7! Pradipta Bandyopadhyay (Mon Mar 22 2004 - 02:48:59 CST)
Re: AMBER: understanding SANDER source code Andreas Svrcek-Seiler (Mon Mar 22 2004 - 06:15:42 CST)
AMBER: Assignment of parameters, missing parameters Julien Michel (Mon Mar 22 2004 - 09:47:15 CST)
Re: AMBER: understanding SANDER source code David E. Konerding (Mon Mar 22 2004 - 10:15:49 CST)
AMBER: gibbs dynamic memory error jwfang (Mon Mar 22 2004 - 10:43:46 CST)
AMBER: Re: About RESP Calculation FyD (Mon Mar 22 2004 - 11:09:00 CST)
AMBER: SANDER general questions. Osman Gani (Mon Mar 22 2004 - 11:37:18 CST)
AMBER: [Fwd: KLAMBDA in amber7] Ahammadunny Pathiaseril (Mon Mar 22 2004 - 12:44:11 CST)
Re: AMBER: EWALD BOMB? Martina Roeselova (Mon Mar 22 2004 - 13:42:01 CST)
Re: AMBER: EWALD BOMB? scott.brown_at_abbott.com (Mon Mar 22 2004 - 14:21:21 CST)
Re: AMBER: EWALD BOMB? Scott Brozell (Mon Mar 22 2004 - 14:44:51 CST)
Re: AMBER: SANDER general questions. Scott Brozell (Mon Mar 22 2004 - 15:26:55 CST)
Re: AMBER: Compilation problem in SUN OS 5.7! Scott Brozell (Mon Mar 22 2004 - 15:57:03 CST)
Re: AMBER: segmentation fault Scott Brozell (Mon Mar 22 2004 - 20:10:27 CST)
AMBER: downloading antechamber astrid.maass (Tue Mar 23 2004 - 01:53:56 CST)
AMBER: M7G parameters Vlad Cojocaru (Tue Mar 23 2004 - 06:43:55 CST)
AMBER: Residue Charges opitz_at_che.udel.edu (Tue Mar 23 2004 - 09:17:38 CST)
AMBER: About glycam2004 Javier Perez Miron (Wed Mar 17 2004 - 21:02:47 CST)
AMBER: gibbs error Fang, Jianwen (Tue Mar 23 2004 - 10:27:22 CST)
AMBER: How to make leap recognise inosine? arvind_at_mbu.iisc.ernet.in (Tue Mar 23 2004 - 11:33:40 CST)
Re: AMBER: Residue Charges Rhonda Torres (Tue Mar 23 2004 - 11:51:55 CST)
Re: AMBER: How to make leap recognise inosine? Rhonda Torres (Tue Mar 23 2004 - 11:54:49 CST)
Re: AMBER: How to make leap recognise inosine? Bill Ross (Tue Mar 23 2004 - 11:57:27 CST)
RE: AMBER: About glycam2004 Ross Walker (Tue Mar 23 2004 - 12:11:01 CST)
Re: AMBER: trajectory file Joseph Nachman (Tue Mar 23 2004 - 16:38:28 CST)
Re: AMBER: M7G parameters David A. Case (Tue Mar 23 2004 - 16:16:24 CST)
Re: AMBER: downloading antechamber David A. Case (Tue Mar 23 2004 - 16:20:34 CST)
Re: AMBER: trajectory file Bill Ross (Tue Mar 23 2004 - 16:20:31 CST)
Re: AMBER: Assignment of parameters, missing parameters David A. Case (Tue Mar 23 2004 - 16:28:59 CST)
Re: AMBER: langevin dynamics David A. Case (Tue Mar 23 2004 - 16:33:01 CST)
Re: AMBER: langevin dynamics Wei Fu (Tue Mar 23 2004 - 20:39:44 CST)
AMBER: residence time Ioana Cozmuta (Tue Mar 23 2004 - 21:51:10 CST)
AMBER: fluorine in mmpbsa ferranna_at_unimore.it (Wed Mar 24 2004 - 03:49:27 CST)
AMBER: Amber: Equilibrated DMSO solvent box Marco Aurelio Correia Preto (Wed Mar 24 2004 - 05:32:31 CST)
AMBER: non-isotropic pressure scaling Lubos Vrbka (Wed Mar 24 2004 - 06:38:08 CST)
AMBER: Cadmium Beale, John (Wed Mar 24 2004 - 07:10:36 CST)
Re: AMBER: non-isotropic pressure scaling Robert Duke (Wed Mar 24 2004 - 07:44:35 CST)
Re: AMBER: non-isotropic pressure scaling Lubos Vrbka (Wed Mar 24 2004 - 08:33:20 CST)
Re: AMBER: Amber: Equilibrated DMSO solvent box Jiten (Wed Mar 24 2004 - 07:37:30 CST)
AMBER: make sure of the Magnesium parameters sychen (Wed Mar 24 2004 - 12:15:25 CST)
AMBER: vlimit and vmax problem Venkata S Koppuravuri (Wed Mar 24 2004 - 12:25:31 CST)
Re: AMBER: make sure of the Magnesium parameters Rhonda Torres (Wed Mar 24 2004 - 12:53:55 CST)
AMBER: INtel Fortran 90 compiler Carsten Detering (Wed Mar 24 2004 - 13:03:17 CST)
AMBER: Glycam04 Karl N. Kirschner (Wed Mar 24 2004 - 13:37:56 CST)
Re: AMBER: INtel Fortran 90 compiler Robert Duke (Wed Mar 24 2004 - 14:36:35 CST)
Re: AMBER: vlimit and vmax problem Rhonda Torres (Wed Mar 24 2004 - 15:05:20 CST)
Re: AMBER: vlimit and vmax problem Bill Ross (Wed Mar 24 2004 - 15:17:32 CST)
PMEMD and myrinet trouble Chris Moth (Wed Mar 24 2004 - 15:25:57 CST)
Re: AMBER: INtel Fortran 90 compiler Scott Brozell (Wed Mar 24 2004 - 15:37:37 CST)
Re: AMBER: INtel Fortran 90 compiler Bill Ross (Wed Mar 24 2004 - 15:41:30 CST)
Re: AMBER: PMEMD and myrinet trouble Robert Duke (Wed Mar 24 2004 - 15:56:10 CST)
Re: AMBER: INtel Fortran 90 compiler Robert Duke (Wed Mar 24 2004 - 16:01:54 CST)
Re: AMBER: INtel Fortran 90 compiler Robert Duke (Wed Mar 24 2004 - 16:54:01 CST)
AMBER: antechamber download files should now be available David A. Case (Wed Mar 24 2004 - 17:05:19 CST)
Re: AMBER: [Fwd: KLAMBDA in amber7] David A. Case (Wed Mar 24 2004 - 19:38:10 CST)
AMBER: RE: Amber: Equilibrated DMSO solvent box Marco Aurelio Correia Preto (Thu Mar 25 2004 - 03:26:41 CST)
AMBER: Antechamber license ? Julien Michel (Thu Mar 25 2004 - 04:24:30 CST)
AMBER: MM_PBSA GB parameters david.evans_at_ulsop.ac.uk (Thu Mar 25 2004 - 04:54:59 CST)
AMBER: phosphorylated serin / histidin Nadine Homeyer (Thu Mar 25 2004 - 07:04:38 CST)
AMBER: FW: Problems with antechamber innstallation Osman Gani (Thu Mar 25 2004 - 09:12:20 CST)
AMBER: Antechamber MOPAC Beale, John (Thu Mar 25 2004 - 09:24:56 CST)
AMBER: hbond analysis in ptraj(%occupied>1) Lishan Yao (Thu Mar 25 2004 - 09:19:01 CST)
Re: AMBER: MM_PBSA GB parameters david.evans_at_ulsop.ac.uk (Thu Mar 25 2004 - 10:25:56 CST)
AMBER: undefined loops and protonate Stern, Julie (Thu Mar 25 2004 - 11:52:41 CST)
Re: AMBER: hbond analysis in ptraj(%occupied>1) Thomas E. Cheatham, III (Thu Mar 25 2004 - 12:26:50 CST)
Re: AMBER: hbond analysis in ptraj(%occupied>1) Sichun Yang (Thu Mar 25 2004 - 12:46:01 CST)
AMBER: eedmeth atchara_at_mercury.hec.utah.edu (Thu Mar 25 2004 - 12:53:23 CST)
Re: AMBER: hbond analysis in ptraj(%occupied>1) Lishan Yao (Thu Mar 25 2004 - 12:54:59 CST)
Re: AMBER: segmentation fault Scott Brozell (Thu Mar 25 2004 - 16:33:32 CST)
AMBER: Error while protonating a PDB file Mike (Thu Mar 25 2004 - 17:47:54 CST)
Re: AMBER: Antechamber MOPAC David A. Case (Thu Mar 25 2004 - 18:34:53 CST)
Re: AMBER: undefined loops and protonate David A. Case (Thu Mar 25 2004 - 18:37:47 CST)
Re: AMBER: eedmeth David A. Case (Thu Mar 25 2004 - 18:46:44 CST)
AMBER: Pang-model of Zn2+ Oliver Hucke (Thu Mar 25 2004 - 19:04:48 CST)
Re: AMBER: Error while protonating a PDB file David A. Case (Thu Mar 25 2004 - 19:34:43 CST)
AMBER: Pang Zn2+ model - correction Oliver Hucke (Thu Mar 25 2004 - 19:32:30 CST)
Re: AMBER: Pang-model of Zn2+ Peter Oelschlaeger (Thu Mar 25 2004 - 19:44:01 CST)
AMBER: a question about anal Xiao He (Thu Mar 25 2004 - 21:06:10 CST)
RE: AMBER: a question about anal Chris Moth (Thu Mar 25 2004 - 21:54:51 CST)
Re: AMBER: Error while protonating a PDB file Madan (Thu Mar 25 2004 - 23:03:56 CST)
AMBER: nmanal - segmentation fault Sivakolundu, Sivashankar (Fri Mar 26 2004 - 00:11:16 CST)
AMBER: tleap error and warnings Mike (Fri Mar 26 2004 - 01:06:38 CST)
AMBER: How to compile antechamber? scopio (Fri Mar 26 2004 - 01:17:54 CST)
Re: AMBER: How to compile antechamber? Julien Michel (Fri Mar 26 2004 - 04:35:11 CST)
Re: AMBER: Pang-model of Zn2+ Kennie Merz (Fri Mar 26 2004 - 07:52:43 CST)
RE: AMBER: tleap error and warnings Chris Moth (Fri Mar 26 2004 - 09:34:08 CST)
AMBER: Problem solved Xiao He (Fri Mar 26 2004 - 09:35:01 CST)
Re: AMBER: How to compile antechamber? David A. Case (Fri Mar 26 2004 - 11:56:10 CST)
AMBER: Xiaowei Li (Fri Mar 26 2004 - 14:21:08 CST)
Re: Fwd: Re: AMBER: Pang-model of Zn2+ Oliver Hucke (Fri Mar 26 2004 - 15:29:24 CST)
Re: AMBER: David A. Case (Fri Mar 26 2004 - 15:41:32 CST)
Re: Fwd: Re: AMBER: Pang-model of Zn2+ David A. Case (Fri Mar 26 2004 - 16:18:35 CST)
AMBER: questions for PNA parameters Suwipa saen-oon (Fri Mar 26 2004 - 21:36:56 CST)
Re: AMBER: Xiaowei Li (Fri Mar 26 2004 - 21:53:54 CST)
AMBER: erreo in sander Anshul Awasthi (Sat Mar 27 2004 - 07:15:54 CST)
Re: AMBER: erreo in sander David A. Case (Sat Mar 27 2004 - 03:13:20 CST)
Re: AMBER: Error while protonating a PDB file David A. Case (Sat Mar 27 2004 - 16:46:43 CST)
AMBER: solvation energy hj zou (Sun Mar 28 2004 - 11:36:31 CST)
AMBER: fix two groups Helios Chen (Sun Mar 28 2004 - 21:07:07 CST)
Re: AMBER: fix two groups Carlos Simmerling (Sun Mar 28 2004 - 21:16:17 CST)
Re: AMBER: fix two groups Helios Chen (Sun Mar 28 2004 - 22:54:58 CST)
Re: AMBER: solvation energy David A. Case (Sun Mar 28 2004 - 23:15:25 CST)
Re: AMBER: fix two groups Bill Ross (Sun Mar 28 2004 - 23:35:00 CST)
AMBER: pmemd machinefiles Lubos Vrbka (Mon Mar 29 2004 - 04:38:13 CST)
Re: AMBER: pmemd machinefiles Robert Duke (Mon Mar 29 2004 - 06:51:56 CST)
AMBER: radial distribution franck (Mon Mar 29 2004 - 07:20:48 CST)
Re: AMBER: pmemd machinefiles Lubos Vrbka (Mon Mar 29 2004 - 07:34:50 CST)
Re: AMBER: pmemd machinefiles Robert Duke (Mon Mar 29 2004 - 08:27:17 CST)
Re: AMBER: fix two groups Joseph Nachman (Mon Mar 29 2004 - 10:14:33 CST)
AMBER: GIBBS: FEP and TI Miguel de Federico (Mon Mar 29 2004 - 11:03:53 CST)
Re: AMBER: trajectory file Joseph Nachman (Mon Mar 29 2004 - 11:16:58 CST)
Re: AMBER: trajectory file Andy Purkiss (Mon Mar 29 2004 - 10:54:24 CST)
AMBER: HBOND calculation John (Mon Mar 29 2004 - 11:40:26 CST)
Re: AMBER: trajectory file Rhonda Torres (Mon Mar 29 2004 - 12:03:03 CST)
Re: AMBER: HBOND calculation Bill Ross (Mon Mar 29 2004 - 12:24:59 CST)
Re: AMBER: HBOND calculation Rhonda Torres (Mon Mar 29 2004 - 12:28:19 CST)
AMBER: PMEMD and myrinet trouble Chris Moth (Mon Mar 29 2004 - 13:05:07 CST)
Re: AMBER: PMEMD and myrinet trouble Robert Duke (Mon Mar 29 2004 - 13:16:36 CST)
AMBER: segmentation fault of minimization scopio (Mon Mar 29 2004 - 20:57:39 CST)
Re: AMBER: segmentation fault of minimization Thomas E. Cheatham, III (Mon Mar 29 2004 - 21:42:01 CST)
AMBER: gaff: hydrogen atom types astrid.maass (Tue Mar 30 2004 - 01:37:58 CST)
AMBER: segmentation fault when running parmchk Ye Mei (Tue Mar 30 2004 - 03:52:14 CST)
AMBER: Bad atom symbol, K+ and IB in vacuum Skauge Tormod (Tue Mar 30 2004 - 06:50:42 CST)
AMBER: solvation energy hj zou (Tue Mar 30 2004 - 06:55:20 CST)
AMBER: NMR refinement John (Tue Mar 30 2004 - 08:32:55 CST)
Re: AMBER: Bad atom symbol, K+ and IB in vacuum Rhonda Torres (Tue Mar 30 2004 - 12:30:23 CST)
Re: AMBER: recovering total force array Dave S Walker (Tue Mar 30 2004 - 19:51:41 CST)
Re: AMBER: recovering total force array Carlos Simmerling (Tue Mar 30 2004 - 20:11:28 CST)
AMBER: pmemd speedup and interactions Lubos Vrbka (Wed Mar 31 2004 - 03:27:21 CST)
AMBER: pmemd speedup and interactions Lubos Vrbka (Wed Mar 31 2004 - 03:55:14 CST)
Re: AMBER: Bad atom symbol, K+ and IB in vacuum Skauge Tormod (Wed Mar 31 2004 - 06:20:30 CST)
AMBER: Pasrameters for MAI Anshul Awasthi (Wed Mar 31 2004 - 15:46:18 CST)
RE: AMBER: pmemd speedup and interactions Ross Walker (Wed Mar 31 2004 - 11:42:32 CST)
Re: AMBER: segmentation fault when running parmchk David A. Case (Wed Mar 31 2004 - 11:50:54 CST)
Re: AMBER: Bad atom symbol, K+ and IB in vacuum David A. Case (Wed Mar 31 2004 - 12:38:47 CST)
Re: AMBER: GIBBS: FEP and TI David A. Case (Wed Mar 31 2004 - 13:07:17 CST)
Re: AMBER: non-isotropic pressure scaling Lubos Vrbka (Wed Mar 31 2004 - 13:44:19 CST)
Re: AMBER: pmemd speedup and interactions Robert Duke (Wed Mar 31 2004 - 14:03:39 CST)
Re: AMBER: non-isotropic pressure scaling Robert Duke (Wed Mar 31 2004 - 14:35:14 CST)
Re: AMBER: recovering total force array Dave S Walker (Wed Mar 31 2004 - 15:29:13 CST)
Re: AMBER: recovering total force array Carlos Simmerling (Wed Mar 31 2004 - 15:39:18 CST)
AMBER: test output of amber8 Oliver Hucke (Wed Mar 31 2004 - 17:54:38 CST)
Re: AMBER: test output of amber8 David A. Case (Wed Mar 31 2004 - 19:37:50 CST)
AMBER: about glycam 04 Javier Perez Miron (Mon Mar 29 2004 - 11:40:18 CST)
AMBER: Question on Amber7... Pmartin (Thu Apr 01 2004 - 17:31:49 CST)
Re: AMBER: Question on Amber7... David A. Case (Thu Apr 01 2004 - 19:33:30 CST)
AMBER: Mac OSX xleap compilation Sergio Pantano (Fri Apr 02 2004 - 00:32:07 CST)
Re: AMBER: Mac OSX xleap compilation Mengjuei Hsieh (Fri Apr 02 2004 - 01:19:30 CST)
AMBER: PERT.charge problem in xleap Helios Chen (Fri Apr 02 2004 - 06:10:54 CST)
AMBER: Alignment tensor for Sander RDCs tim (Fri Apr 02 2004 - 08:47:47 CST)
Re: AMBER: Alignment tensor for Sander RDCs David A. Case (Fri Apr 02 2004 - 11:46:24 CST)
AMBER: Parameters for ions? nie beining (Fri Apr 02 2004 - 12:15:51 CST)
AMBER: installing amber8 on a dual processor single box Carsten Detering (Fri Apr 02 2004 - 12:37:46 CST)
Re: AMBER: installing amber8 on a dual processor single box Robert Duke (Fri Apr 02 2004 - 12:58:35 CST)
Re: AMBER: Mac OSX xleap compilation Yusuf Abdulghani (Fri Apr 02 2004 - 13:16:14 CST)
Re: AMBER: installing amber8 on a dual processor single box David A. Case (Fri Apr 02 2004 - 13:39:24 CST)
Re: AMBER: Mac OSX xleap compilation Mengjuei Hsieh (Fri Apr 02 2004 - 13:46:14 CST)
AMBER: Intel fortran compiler and -static switch in older pmemd releases Robert Duke (Fri Apr 02 2004 - 15:10:49 CST)
Re: AMBER: Intel fortran compiler and -static switch in older pmemd releases David E. Konerding DSD Staff (Fri Apr 02 2004 - 15:21:11 CST)
Re: AMBER: Intel fortran compiler and -static switch in older pmemd releases Robert Duke (Fri Apr 02 2004 - 15:35:45 CST)
AMBER: question about image Youyi Peng (Fri Apr 02 2004 - 16:41:36 CST)
AMBER: AMBER 7 Installation Ilyas Yildirim (Fri Apr 02 2004 - 17:17:09 CST)
Re: AMBER: question about image Thomas E. Cheatham, III (Fri Apr 02 2004 - 17:51:01 CST)
AMBER: sander + ew_legal.h Carsten Detering (Fri Apr 02 2004 - 19:08:07 CST)
Re: AMBER: sander + ew_legal.h David A. Case (Fri Apr 02 2004 - 19:34:32 CST)
Re: AMBER: AMBER 7 Installation David A. Case (Fri Apr 02 2004 - 19:37:57 CST)
Re: AMBER: question about image pengyo_at_UMDNJ.EDU (Fri Apr 02 2004 - 21:35:06 CST)
AMBER: question about image - truncated octahedron Chris Moth (Sat Apr 03 2004 - 09:22:14 CST)
AMBER: amber8 tutorial Patil, Sachin (Sun Apr 04 2004 - 19:03:20 CDT)
Re: AMBER: amber8 tutorial Viktor Hornak (Sun Apr 04 2004 - 21:03:56 CDT)
RE: AMBER: amber8 tutorial Ross Walker (Sun Apr 04 2004 - 21:45:52 CDT)
AMBER: Error in building a molecule anshul_at_imtech.res.in (Mon Apr 05 2004 - 17:01:54 CDT)
AMBER: minimization of GLH Hailong Lin (Mon Apr 05 2004 - 06:57:31 CDT)
Re: AMBER: minimization of GLH David A. Case (Mon Apr 05 2004 - 10:26:27 CDT)
Re: AMBER: minimization of GLH Hailong Lin (Mon Apr 05 2004 - 10:51:47 CDT)
AMBER: Antechamber compilation error Arvind (Mon Apr 05 2004 - 11:22:21 CDT)
Re: AMBER: question about image Thomas E. Cheatham, III (Mon Apr 05 2004 - 11:37:00 CDT)
Re: AMBER: Antechamber compilation error David A. Case (Mon Apr 05 2004 - 12:12:05 CDT)
AMBER: PMEMD Problems... Jon Gray (Mon Apr 05 2004 - 15:38:23 CDT)
AMBER: antechamber: frcmod parameter need revision atchara_at_mercury.hec.utah.edu (Mon Apr 05 2004 - 16:11:12 CDT)
Re: AMBER: PMEMD Problems... Robert Duke (Mon Apr 05 2004 - 16:13:24 CDT)
Re: AMBER: question about image - truncated octahedron Thomas E. Cheatham, III (Mon Apr 05 2004 - 16:21:36 CDT)
Re: AMBER: PMEMD Problems... Jon Gray (Mon Apr 05 2004 - 22:56:47 CDT)
Re: AMBER: PMEMD Problems... Robert Duke (Mon Apr 05 2004 - 23:38:58 CDT)
AMBER: which parameters for Ca2+ ? cailliez (Tue Apr 06 2004 - 02:50:03 CDT)
Re: AMBER: minimization of GLH David A. Case (Mon Apr 05 2004 - 12:06:39 CDT)
AMBER: anshul_at_imtech.res.in (Tue Apr 06 2004 - 16:58:07 CDT)
AMBER: free energy perturbation Herbert Georg (Tue Apr 06 2004 - 10:21:55 CDT)
Re: AMBER: free energy perturbation David Smith (Tue Apr 06 2004 - 10:45:06 CDT)
RE: AMBER: free energy perturbation Kristina Furse (Tue Apr 06 2004 - 11:53:39 CDT)
Re: AMBER: free energy perturbation Herbert Georg (Tue Apr 06 2004 - 12:03:51 CDT)
AMBER: which atoms are H's for SHAKE? Oliver Hucke (Tue Apr 06 2004 - 12:32:12 CDT)
AMBER: gibbs calculation Carsten Detering (Tue Apr 06 2004 - 13:11:55 CDT)
AMBER: new leap with old gibbs Carsten Detering (Tue Apr 06 2004 - 14:16:01 CDT)
Re: AMBER: which atoms are H's for SHAKE? Bill Ross (Tue Apr 06 2004 - 15:11:41 CDT)
Re: AMBER: new leap with old gibbs David A. Case (Tue Apr 06 2004 - 16:31:10 CDT)
Re: AMBER: Question on Amber7... Pmartin (Tue Apr 06 2004 - 16:44:34 CDT)
Re: AMBER: new leap with old gibbs Carsten Detering (Tue Apr 06 2004 - 16:48:26 CDT)
Re: AMBER: new leap with old gibbs David A. Case (Tue Apr 06 2004 - 19:13:57 CDT)
Re: AMBER: Question on Amber7... David A. Case (Tue Apr 06 2004 - 19:25:37 CDT)
AMBER: MOPAC 7 - How to modift the mopac.sh file to run antechamber properly? Ilyas Yildirim (Tue Apr 06 2004 - 19:27:31 CDT)
Re: AMBER: MOPAC 7 - How to modift the mopac.sh file to run antechamber properly? Ilyas Yildirim (Tue Apr 06 2004 - 20:25:46 CDT)
Re: AMBER: free energy perturbation David A. Case (Tue Apr 06 2004 - 20:26:37 CDT)
AMBER: more vlimit exceeded problems... Linda Prengaman (Tue Apr 06 2004 - 21:22:44 CDT)
AMBER: Amber 8 ptraj segmentation fault Sivakolundu, Sivashankar (Wed Apr 07 2004 - 00:49:08 CDT)
AMBER: riccardodesantis_at_fastwebnet.it (Wed Apr 07 2004 - 01:02:57 CDT)
AMBER: ANAL: how can i buld the anal.in file? riccardodesantis_at_fastwebnet.it (Wed Apr 07 2004 - 01:14:49 CDT)
AMBER: Error message while testing Alessio Comisso (Wed Apr 07 2004 - 06:53:24 CDT)
AMBER: error in antechamber anshul_at_imtech.res.in (Wed Apr 07 2004 - 17:49:47 CDT)
AMBER: unique atom names anshul_at_imtech.res.in (Wed Apr 07 2004 - 18:00:31 CDT)
Re: AMBER: error in antechamber Ilyas Yildirim (Wed Apr 07 2004 - 08:30:55 CDT)
RE: AMBER: unique atom names Chris Moth (Wed Apr 07 2004 - 09:21:50 CDT)
AMBER: unique atom names Chris Moth (Wed Apr 07 2004 - 09:20:11 CDT)
AMBER: ptraj parser Thomas C. Bishop (Wed Apr 07 2004 - 10:01:15 CDT)
Re: AMBER: more vlimit exceeded problems... David A. Case (Wed Apr 07 2004 - 10:06:31 CDT)
Re: AMBER: MOPAC 7 - How to modift the mopac.sh file to run antechamber properly? David A. Case (Wed Apr 07 2004 - 10:19:27 CDT)
Re: AMBER: ANAL: how can i buld the anal.in file? David A. Case (Wed Apr 07 2004 - 10:21:53 CDT)
Re: AMBER: error in antechamber David A. Case (Wed Apr 07 2004 - 10:27:43 CDT)
Re: AMBER: ptraj parser Viktor Hornak (Wed Apr 07 2004 - 11:20:40 CDT)
AMBER: Ti of CH3 -> NH2 Carsten Detering (Wed Apr 07 2004 - 17:14:11 CDT)
AMBER: respgen Ilyas Yildirim (Wed Apr 07 2004 - 17:45:33 CDT)
Re: AMBER: Ti of CH3 -> NH2 David A. Case (Wed Apr 07 2004 - 20:17:30 CDT)
Re: AMBER: respgen David A. Case (Wed Apr 07 2004 - 20:20:36 CDT)
AMBER: bug of leap? Ye Mei (Wed Apr 07 2004 - 21:27:11 CDT)
AMBER: bug of leap? Ye Mei (Wed Apr 07 2004 - 21:29:07 CDT)
Re: AMBER: bug of leap? Ye Mei (Wed Apr 07 2004 - 21:40:29 CDT)
AMBER: Carnal in Amber7 Sichun Yang (Wed Apr 07 2004 - 23:03:35 CDT)
Re: AMBER: error in antechamber anshul_at_imtech.res.in (Thu Apr 08 2004 - 12:36:57 CDT)
AMBER: warning about improper dihedral in leap!! Pradipta Bandyopadhyay (Thu Apr 08 2004 - 06:50:18 CDT)
AMBER: Beale, John (Thu Apr 08 2004 - 08:04:04 CDT)
Re: AMBER: Holger Gohlke (Thu Apr 08 2004 - 09:20:51 CDT)
Re: AMBER: error in antechamber David A. Case (Thu Apr 08 2004 - 09:58:42 CDT)
Re: AMBER: warning about improper dihedral in leap!! David A. Case (Thu Apr 08 2004 - 10:09:11 CDT)
Re: AMBER: bug of leap? Chris Moth (Thu Apr 08 2004 - 11:10:06 CDT)
Re: AMBER: Carnal in Amber7 Bill Ross (Thu Apr 08 2004 - 13:16:02 CDT)
AMBER: Gaussian 98 Installation Ilyas Yildirim (Thu Apr 08 2004 - 15:52:05 CDT)
AMBER: Dipole moment changes during MD Jiten (Thu Apr 08 2004 - 20:31:17 CDT)
AMBER: script on tutorial page Ioana Cozmuta (Thu Apr 08 2004 - 21:25:50 CDT)
RE: AMBER: script on tutorial page Ross Walker (Thu Apr 08 2004 - 23:21:44 CDT)
RE: AMBER: Dipole moment changes during MD Ross Walker (Fri Apr 09 2004 - 11:48:29 CDT)
Re: AMBER: Dipole moment changes during MD Jiten (Fri Apr 09 2004 - 13:05:01 CDT)
AMBER: NMODE xiaowei li (Fri Apr 09 2004 - 15:20:23 CDT)
AMBER: Suggestions for newer pentium chips and hyperthreading with PMEMD Robert Duke (Fri Apr 09 2004 - 16:13:59 CDT)
RE: AMBER: Suggestions for newer pentium chips and hyperthreading with PMEMD Ross Walker (Fri Apr 09 2004 - 16:38:18 CDT)
RE: AMBER: Dipole moment changes during MD Ross Walker (Fri Apr 09 2004 - 16:56:48 CDT)
RE: AMBER: script on tutorial page Ioana Cozmuta (Fri Apr 09 2004 - 17:03:57 CDT)
AMBER: equilibration does not start with SHAKE Oliver Hucke (Fri Apr 09 2004 - 17:30:55 CDT)
Re: AMBER: Suggestions for newer pentium chips and hyperthreading with PMEMD David E. Konerding DSD Staff (Fri Apr 09 2004 - 17:41:57 CDT)
Re: AMBER: NMODE David A. Case (Fri Apr 09 2004 - 17:46:35 CDT)
Re: AMBER: equilibration does not start with SHAKE David A. Case (Fri Apr 09 2004 - 18:16:09 CDT)
Re: AMBER: Dipole moment changes during MD Jiten (Fri Apr 09 2004 - 19:48:03 CDT)
AMBER: amber/pmemd with mpiexec Lubos Vrbka (Sat Apr 10 2004 - 11:50:30 CDT)
Re: AMBER: amber/pmemd with mpiexec Robert Duke (Sat Apr 10 2004 - 12:21:15 CDT)
RE: AMBER: script on tutorial page Thomas E. Cheatham, III (Sat Apr 10 2004 - 15:31:51 CDT)
Re: AMBER: amber/pmemd with mpiexec Lubos Vrbka (Sun Apr 11 2004 - 09:00:36 CDT)
AMBER: Antechamber compilation: leap error Arvind (Mon Apr 12 2004 - 06:05:58 CDT)
AMBER: XLeap: head/tail and frcmod L Jin (Mon Apr 12 2004 - 06:35:47 CDT)
Re: AMBER: Antechamber compilation: leap error Ye Mei (Mon Apr 12 2004 - 06:55:11 CDT)
AMBER: Compiling Amber 8 Beale, John (Mon Apr 12 2004 - 08:44:25 CDT)
Re: AMBER: Compiling Amber 8 Viktor Hornak (Mon Apr 12 2004 - 08:53:29 CDT)
Re: AMBER: Compiling Amber 8 Robert Duke (Mon Apr 12 2004 - 09:22:27 CDT)
Re: AMBER: amber/pmemd with mpiexec Robert Duke (Mon Apr 12 2004 - 09:41:22 CDT)
Re: AMBER: XLeap: head/tail and frcmod David A. Case (Mon Apr 12 2004 - 10:15:29 CDT)
AMBER: Group in sander xiaowei li (Mon Apr 12 2004 - 14:05:29 CDT)
Re: AMBER: Group in sander Viktor Hornak (Mon Apr 12 2004 - 14:13:15 CDT)
Re: AMBER: Group in sander Thomas E. Cheatham, III (Mon Apr 12 2004 - 14:30:46 CDT)
AMBER: Group in sander Chris Moth (Mon Apr 12 2004 - 14:20:37 CDT)
AMBER: scali amber8 Guanglei Cui (Mon Apr 12 2004 - 15:02:11 CDT)
AMBER: ptraj pengyo_at_UMDNJ.EDU (Mon Apr 12 2004 - 15:09:22 CDT)
Re: AMBER: ptraj Thomas E. Cheatham, III (Mon Apr 12 2004 - 15:23:12 CDT)
Re: AMBER: ptraj pengyo_at_UMDNJ.EDU (Mon Apr 12 2004 - 16:22:26 CDT)
AMBER: water hole Holly Freedman (Mon Apr 12 2004 - 16:43:32 CDT)
Re: AMBER: water hole Carlos Simmerling (Mon Apr 12 2004 - 17:40:13 CDT)
Re: AMBER: scali amber8 Scott Brozell (Mon Apr 12 2004 - 17:54:42 CDT)
Re: AMBER: water hole David A. Case (Mon Apr 12 2004 - 19:13:37 CDT)
Re: AMBER: water hole Holly Freedman (Mon Apr 12 2004 - 19:39:19 CDT)
Re: AMBER: Error message while testing Scott Brozell (Mon Apr 12 2004 - 20:10:30 CDT)
Re: AMBER: water hole Bill Ross (Mon Apr 12 2004 - 20:58:47 CDT)
AMBER: how to use mm_pbsa_statistics.pl independently Jufang Shan (Mon Apr 12 2004 - 21:23:36 CDT)
AMBER: Re: a new question Viktor Hornak (Mon Apr 12 2004 - 22:02:35 CDT)
Re: AMBER: Compiling Amber 8 Andreas Svrcek-Seiler (Tue Apr 13 2004 - 04:57:29 CDT)
Re: AMBER: water hole Andreas Svrcek-Seiler (Tue Apr 13 2004 - 05:02:12 CDT)
AMBER: WHICH LINUX Raj Badhan (Tue Apr 13 2004 - 09:50:52 CDT)
Re: AMBER: WHICH LINUX Marc Baaden (Tue Apr 13 2004 - 10:20:35 CDT)
RE: AMBER: how to use mm_pbsa_statistics.pl independently Chris Moth (Tue Apr 13 2004 - 10:34:26 CDT)
Re: AMBER: WHICH LINUX Andreas Svrcek-Seiler (Tue Apr 13 2004 - 10:30:20 CDT)
Re: AMBER: ptraj ayongye_at_sunchem.chem.uga.edu (Tue Apr 13 2004 - 10:48:54 CDT)
Re: AMBER: Compiling Amber 8 Bill Ross (Tue Apr 13 2004 - 11:38:58 CDT)
Re: AMBER: how to use mm_pbsa_statistics.pl independently Holger Gohlke (Tue Apr 13 2004 - 12:06:43 CDT)
AMBER: how to check metal ion bonding ? Venkata S Koppuravuri (Tue Apr 13 2004 - 14:13:52 CDT)
Re: AMBER: how to check metal ion bonding ? Oliver Hucke (Tue Apr 13 2004 - 15:28:09 CDT)
Re: AMBER: how to check metal ion bonding ? Bill Ross (Tue Apr 13 2004 - 16:34:52 CDT)
AMBER: Amber 7 on SGI: Sander MPI problem Rohn Wood (Tue Apr 13 2004 - 17:34:12 CDT)
AMBER: Creating Parmtop files for NAMD Edward Patrick Obrien (Tue Apr 13 2004 - 19:37:52 CDT)
Re: AMBER: Amber 7 on SGI: Sander MPI problem David A. Case (Tue Apr 13 2004 - 19:37:04 CDT)
Re: AMBER: Creating Parmtop files for NAMD M. L. Dodson (Tue Apr 13 2004 - 20:39:26 CDT)
AMBER: Amber and Linux compilation Raj Badhan (Wed Apr 14 2004 - 06:26:36 CDT)
Re: AMBER: Amber and Linux compilation Ye Mei (Wed Apr 14 2004 - 06:52:55 CDT)
Re: AMBER: Amber and Linux compilation Raj Badhan (Wed Apr 14 2004 - 06:59:34 CDT)
Re: AMBER: Amber 7 on SGI: Sander MPI problem Tru Huynh (Wed Apr 14 2004 - 07:45:08 CDT)
Re: AMBER: non-isotropic pressure scaling Lubos Vrbka (Wed Apr 14 2004 - 07:48:59 CDT)
Re: AMBER: Amber and Linux compilation Raj Badhan (Wed Apr 14 2004 - 07:54:54 CDT)
Re: Re: AMBER: Amber and Linux compilation Ye Mei (Wed Apr 14 2004 - 08:26:40 CDT)
Re: AMBER: Creating Parmtop files for NAMD Thomas C. Bishop (Wed Apr 14 2004 - 08:49:23 CDT)
AMBER: salt concentration cailliez (Wed Apr 14 2004 - 09:45:44 CDT)
Re: Re: AMBER: Amber and Linux compilation Raj Badhan (Wed Apr 14 2004 - 09:17:18 CDT)
Re: AMBER: salt concentration tim (Wed Apr 14 2004 - 06:56:52 CDT)
Re: Re: AMBER: Amber and Linux compilation Andreas Svrcek-Seiler (Wed Apr 14 2004 - 09:44:21 CDT)
Re: Re: AMBER: Amber and Linux compilation Teletchéa Stéphane (Wed Apr 14 2004 - 10:08:29 CDT)
Re: AMBER: non-isotropic pressure scaling David A. Case (Wed Apr 14 2004 - 10:36:52 CDT)
Re: AMBER: non-isotropic pressure scaling Lubos Vrbka (Wed Apr 14 2004 - 11:18:22 CDT)
Re: AMBER: non-isotropic pressure scaling David A. Case (Wed Apr 14 2004 - 11:56:52 CDT)
Re: AMBER: Amber 7 on SGI: Sander MPI problem Rohn Wood (Wed Apr 14 2004 - 12:28:17 CDT)
AMBER: atomicfluct in ptraj Qiang Lu (Wed Apr 14 2004 - 13:12:06 CDT)
AMBER: Time to minimize the energy by NMODE xiaowei li (Wed Apr 14 2004 - 13:23:02 CDT)
Re: AMBER: atomicfluct in ptraj Holger Gohlke (Wed Apr 14 2004 - 14:14:47 CDT)
AMBER: gibbs termination Carsten Detering (Wed Apr 14 2004 - 14:17:29 CDT)
Re: AMBER: non-isotropic pressure scaling Lubos Vrbka (Wed Apr 14 2004 - 14:21:54 CDT)
Re: AMBER: Time to minimize the energy by NMODE Holger Gohlke (Wed Apr 14 2004 - 14:40:28 CDT)
Re: AMBER: gibbs termination Bill Ross (Wed Apr 14 2004 - 15:16:50 CDT)
Re[2]: AMBER: atomicfluct in ptraj Qiang Lu (Wed Apr 14 2004 - 17:06:32 CDT)
AMBER: xleap bug? Carsten Detering (Wed Apr 14 2004 - 17:28:07 CDT)
RE: AMBER: xleap bug? Ross Walker (Wed Apr 14 2004 - 17:48:18 CDT)
Re: AMBER: Time to minimize the energy by NMODE David A. Case (Wed Apr 14 2004 - 17:54:10 CDT)
Re: AMBER: Amber 7 on SGI: Sander MPI problem Rohn Wood (Wed Apr 14 2004 - 18:48:58 CDT)
Re: AMBER: water hole Amber Administration (Wed Apr 14 2004 - 18:59:31 CDT)
Re: AMBER: water hole Holly Freedman (Wed Apr 14 2004 - 19:32:06 CDT)
Re: AMBER: gibbs termination David A. Case (Wed Apr 14 2004 - 20:24:10 CDT)
AMBER: Problem in loading a PDB file in Leap - Please help me Mike (Thu Apr 15 2004 - 01:25:07 CDT)
Re: AMBER: Problem in loading a PDB file in Leap - Please help me tim (Thu Apr 15 2004 - 00:53:41 CDT)
AMBER: ptraj-6.5 cailliez (Thu Apr 15 2004 - 04:42:36 CDT)
AMBER: pbsa Chenglong Li (Thu Apr 15 2004 - 12:26:51 CDT)
Re: AMBER: pbsa rluo_at_uci.edu (Thu Apr 15 2004 - 13:14:34 CDT)
Re: AMBER: water hole Bill Ross (Thu Apr 15 2004 - 13:49:02 CDT)
AMBER: distance measurement in carnal and ptraj anshul_at_imtech.res.in (Fri Apr 16 2004 - 15:56:33 CDT)
AMBER: new atom and increase the number of bonds Tomas Hrobarik (Fri Apr 16 2004 - 09:01:56 CDT)
Re: AMBER: distance measurement in carnal and ptraj David A. Case (Fri Apr 16 2004 - 10:46:04 CDT)
AMBER: compiling Amber 8 Beale, John (Fri Apr 16 2004 - 12:23:23 CDT)
Re: AMBER: distance measurement in carnal and ptraj Bill Ross (Fri Apr 16 2004 - 13:32:07 CDT)
RE: AMBER: compiling Amber 8 Ross Walker (Fri Apr 16 2004 - 13:47:36 CDT)
RE: AMBER: compiling Amber 8 Bill Ross (Fri Apr 16 2004 - 14:36:44 CDT)
RE: AMBER: compiling Amber 8 Bill Ross (Fri Apr 16 2004 - 14:45:06 CDT)
Re: AMBER: Problem in loading a PDB file in Leap - Please help me Mike (Sat Apr 17 2004 - 00:19:02 CDT)
Re: AMBER: Problem in loading a PDB file in Leap - Please help me Bill Ross (Sat Apr 17 2004 - 00:55:43 CDT)
AMBER: free energy perturbation questions hj zou (Sat Apr 17 2004 - 09:38:28 CDT)
Re: AMBER: Problem in loading a PDB file in Leap - Please help me Mike (Sat Apr 17 2004 - 12:35:22 CDT)
Re: AMBER: Problem in loading a PDB file in Leap - Please help me Bill Ross (Sat Apr 17 2004 - 14:40:06 CDT)
AMBER: loading PDB problem in leap Suwipa saen-oon (Sun Apr 18 2004 - 04:35:35 CDT)
Re: AMBER: non-isotropic pressure scaling Robert Duke (Sun Apr 18 2004 - 08:44:09 CDT)
Re: AMBER: loading PDB problem in leap Jiten (Sun Apr 18 2004 - 22:57:16 CDT)
AMBER: xleap console message Guanglei Cui (Mon Apr 19 2004 - 10:06:05 CDT)
AMBER: Intel Fortran Compiler, 7.1 status Robert Duke (Mon Apr 19 2004 - 10:32:49 CDT)
Re: AMBER: xleap console message David A. Case (Mon Apr 19 2004 - 11:40:46 CDT)
Re: AMBER: xleap console message Guanglei Cui (Mon Apr 19 2004 - 12:11:11 CDT)
Re: AMBER: xleap console message Bill Ross (Mon Apr 19 2004 - 12:28:17 CDT)
AMBER: ptraj projections help Thomas C. Bishop (Mon Apr 19 2004 - 12:41:08 CDT)
AMBER: memory problem in NMODE xhu1_at_memphis.edu (Mon Apr 19 2004 - 15:06:46 CDT)
AMBER: Do we have to optimize the structure in order to do MEP Calculations? Ilyas Yildirim (Mon Apr 19 2004 - 15:35:45 CDT)
Re: AMBER: xleap console message Guanglei Cui (Mon Apr 19 2004 - 15:48:28 CDT)
Re: AMBER: xleap console message Bill Ross (Mon Apr 19 2004 - 15:58:05 CDT)
Re: AMBER: Do we have to optimize the structure in order to do MEP Calculations? David A. Case (Mon Apr 19 2004 - 16:45:34 CDT)
Re: AMBER: memory problem in NMODE David A. Case (Mon Apr 19 2004 - 16:54:34 CDT)
Re: AMBER: memory problem in NMODE xhu1_at_memphis.edu (Mon Apr 19 2004 - 18:43:47 CDT)
Re: AMBER: memory problem in NMODE David A. Case (Mon Apr 19 2004 - 19:56:44 CDT)
AMBER: nucgen generated RNA duplex: leap problems Arvind (Tue Apr 20 2004 - 06:44:37 CDT)
AMBER: Simulation of lipid bilayers Greg Jezierski (Tue Apr 20 2004 - 09:41:50 CDT)
Re: AMBER: nucgen generated RNA duplex: leap problems Skauge Tormod (Tue Apr 20 2004 - 10:03:09 CDT)
AMBER: "No radius found for F" error and vdw radii for F in MMPBSA Ming Lei (Tue Apr 20 2004 - 10:47:40 CDT)
AMBER: instalation of amber7 on SUN anshul_at_imtech.res.in (Tue Apr 20 2004 - 21:53:20 CDT)
Re: AMBER: instalation of amber7 on SUN David A. Case (Tue Apr 20 2004 - 13:14:58 CDT)
Re: AMBER: nucgen generated RNA duplex: leap problems David A. Case (Tue Apr 20 2004 - 13:26:17 CDT)
Re: AMBER: Do we have to optimize the structure in order to do MEP Calculations? Ilyas Yildirim (Tue Apr 20 2004 - 15:13:09 CDT)
Re: AMBER: Do we have to optimize the structure in order to do MEP Calculations? Ilyas Yildirim (Tue Apr 20 2004 - 15:28:13 CDT)
Re: AMBER: Do we have to optimize the structure in order to do MEP Calculations? David A. Case (Tue Apr 20 2004 - 15:29:47 CDT)
Re: AMBER: Do we have to optimize the structure in order to do MEP Calculations? Ilyas Yildirim (Tue Apr 20 2004 - 15:51:55 CDT)
Re: AMBER: Do we have to optimize the structure in order to do MEP Calculations? David A. Case (Tue Apr 20 2004 - 16:50:42 CDT)
AMBER: Using pbsa Thomas Steinbrecher (Tue Apr 20 2004 - 18:16:37 CDT)
Re: AMBER: Using pbsa Chenglong Li (Tue Apr 20 2004 - 18:47:34 CDT)
Re: AMBER: Do we have to optimize the structure in order to do MEP Calculations? Ilyas Yildirim (Tue Apr 20 2004 - 18:42:34 CDT)
Re: AMBER: Using pbsa David A. Case (Tue Apr 20 2004 - 20:26:08 CDT)
AMBER: distance dependent dielectric anshul_at_imtech.res.in (Wed Apr 21 2004 - 10:30:49 CDT)
AMBER: Question about compiling PMEMD Tod Pascal (Wed Apr 21 2004 - 02:21:40 CDT)
AMBER: Turning off non-bond interactions david.evans_at_ulsop.ac.uk (Wed Apr 21 2004 - 03:22:21 CDT)
AMBER: How to solve these warnings? Xiao He (Wed Apr 21 2004 - 03:37:40 CDT)
AMBER: Why are there LENNARD_JONES_COEF A,B zero Xiao He (Wed Apr 21 2004 - 03:46:29 CDT)
Re: AMBER: How to solve these warnings? Jiten (Wed Apr 21 2004 - 07:06:41 CDT)
Re: AMBER: distance dependent dielectric Viktor Hornak (Wed Apr 21 2004 - 07:23:31 CDT)
Re: AMBER: Question about compiling PMEMD Robert Duke (Wed Apr 21 2004 - 07:27:02 CDT)
Re: AMBER: Why are there LENNARD_JONES_COEF A,B zero Dr. Yong Duan (Wed Apr 21 2004 - 07:56:19 CDT)
Re: Re: AMBER: Why are there LENNARD_JONES_COEF A,B zero Xiao He (Wed Apr 21 2004 - 08:05:49 CDT)
Re: Re: AMBER: Why are there LENNARD_JONES_COEF A,B zero Jiten (Wed Apr 21 2004 - 08:28:26 CDT)
Re: Re: Re: AMBER: Why are there LENNARD_JONES_COEF A,B zero Xiao He (Wed Apr 21 2004 - 08:48:06 CDT)
Re: Re: AMBER: Why are there LENNARD_JONES_COEF A,B zero Dr. Yong Duan (Wed Apr 21 2004 - 09:41:59 CDT)
RE: AMBER: Turning off non-bond interactions Chris Moth (Wed Apr 21 2004 - 10:00:14 CDT)
RE: AMBER: Turning off non-bond interactions Chris Moth (Wed Apr 21 2004 - 10:58:07 CDT)
Re: AMBER: Turning off non-bond interactions David A. Case (Wed Apr 21 2004 - 10:54:54 CDT)
AMBER: non-periodic simulation and box information !! Pradipta Bandyopadhyay (Wed Apr 21 2004 - 10:56:31 CDT)
Re: AMBER: Why are there LENNARD_JONES_COEF A,B zero David A. Case (Wed Apr 21 2004 - 10:57:26 CDT)
AMBER: rdparm: a parameter array overflowed Wen Li (Wed Apr 21 2004 - 11:04:17 CDT)
RE: AMBER: Turning off non-bond interactions david.evans_at_ulsop.ac.uk (Wed Apr 21 2004 - 11:09:26 CDT)
Re: AMBER: non-periodic simulation and box information !! Robert Duke (Wed Apr 21 2004 - 11:04:54 CDT)
Re: AMBER: Turning off non-bond interactions Robert Duke (Wed Apr 21 2004 - 11:12:11 CDT)
Re: AMBER: rdparm: a parameter array overflowed David A. Case (Wed Apr 21 2004 - 12:15:16 CDT)
Re: AMBER: non-periodic simulation and box information !! Michael Crowley (Wed Apr 21 2004 - 12:32:58 CDT)
RE: AMBER: Turning off non-bond interactions Bill Ross (Wed Apr 21 2004 - 13:09:44 CDT)
Re: AMBER: How to solve these warnings? Bill Ross (Wed Apr 21 2004 - 13:21:30 CDT)
Re: AMBER: nucgen generated RNA duplex: leap problems Bill Ross (Wed Apr 21 2004 - 13:33:00 CDT)
RE: AMBER: How to solve these warnings? Kristina Furse (Wed Apr 21 2004 - 15:35:57 CDT)
Re: AMBER: nucgen generated RNA duplex: leap problems Arvind (Wed Apr 21 2004 - 15:23:28 CDT)
AMBER: gaff "ha" atom type Oliver Hucke (Wed Apr 21 2004 - 15:38:20 CDT)
Re: AMBER: nucgen generated RNA duplex: leap problems Bill Ross (Wed Apr 21 2004 - 15:34:40 CDT)
Re: Re: Re: AMBER: Why are there LENNARD_JONES_COEF A,B zero Dr. Yong Duan (Wed Apr 21 2004 - 10:59:58 CDT)
AMBER: restraintmask and ambmask Oliver Hucke (Wed Apr 21 2004 - 19:17:24 CDT)
AMBER: What kind of informations are needed in a .pdb file in order to start using antechamber? Ilyas Yildirim (Wed Apr 21 2004 - 23:51:40 CDT)
Re: AMBER: instalation of amber7 on SUN anshul_at_imtech.res.in (Thu Apr 22 2004 - 11:35:37 CDT)
RE: AMBER: Question about compiling PMEMD Tod Pascal (Thu Apr 22 2004 - 01:29:55 CDT)
AMBER: Bond type in leap anshul_at_imtech.res.in (Thu Apr 22 2004 - 14:22:31 CDT)
AMBER: mm_pbsa examples; delphi in mm_pbsa Kazuo Koyano (Thu Apr 22 2004 - 03:34:03 CDT)
Re: AMBER: Question about compiling PMEMD Robert Duke (Thu Apr 22 2004 - 06:35:45 CDT)
RE: AMBER: What kind of informations are needed in a .pdb file in order to start using antechamber? Chris Moth (Thu Apr 22 2004 - 07:02:30 CDT)
AMBER: antechamber bcctype.c typo Chris Moth (Thu Apr 22 2004 - 07:07:32 CDT)
Re: AMBER: Question about compiling PMEMD Robert Duke (Thu Apr 22 2004 - 07:10:47 CDT)
Re: AMBER: restraintmask and ambmask Viktor Hornak (Thu Apr 22 2004 - 07:27:38 CDT)
AMBER: Euclidean distances Wen Li (Thu Apr 22 2004 - 09:49:45 CDT)
Re: AMBER: Euclidean distances Bill Ross (Thu Apr 22 2004 - 11:34:37 CDT)
Re: AMBER: Bond type in leap Bill Ross (Thu Apr 22 2004 - 11:53:33 CDT)
AMBER: MD for protein-carbohydrate complex Mikyung Seo (Thu Apr 22 2004 - 15:03:33 CDT)
Re: AMBER: MD for protein-carbohydrate complex Bill Ross (Thu Apr 22 2004 - 15:03:54 CDT)
AMBER: protein-carbohydrate complex Mikyung Seo (Thu Apr 22 2004 - 17:27:31 CDT)
Re: AMBER: protein-carbohydrate complex Bill Ross (Thu Apr 22 2004 - 17:39:16 CDT)
AMBER: solvateCap warning Helios Chen (Fri Apr 23 2004 - 04:47:25 CDT)
Re: AMBER: solvateCap warning Guanglei Cui (Fri Apr 23 2004 - 08:47:49 CDT)
AMBER: partition error in shake Guanglei Cui (Fri Apr 23 2004 - 10:18:19 CDT)
AMBER: pmemd and mpich - myrinet Lubos Vrbka (Fri Apr 23 2004 - 10:59:31 CDT)
Re: AMBER: pmemd and mpich - myrinet Robert Duke (Fri Apr 23 2004 - 11:23:37 CDT)
Re: AMBER: pmemd and mpich - myrinet Lubos Vrbka (Fri Apr 23 2004 - 12:33:32 CDT)
Re: AMBER: solvateCap warning Chenglong Li (Fri Apr 23 2004 - 12:44:14 CDT)
AMBER: Parameters for nonpolar contribution to solvation Thomas Steinbrecher (Fri Apr 23 2004 - 12:48:42 CDT)
Re: AMBER: pmemd and mpich - myrinet Robert Duke (Fri Apr 23 2004 - 12:57:48 CDT)
Re: AMBER: pmemd and mpich - myrinet Lubos Vrbka (Fri Apr 23 2004 - 13:18:36 CDT)
AMBER: parameters for neutral Arg Mikyung Seo (Fri Apr 23 2004 - 15:51:14 CDT)
Re: AMBER: parameters for neutral Arg Adrian E. Roitberg (Fri Apr 23 2004 - 16:05:03 CDT)
AMBER: compile amber8 in linux with ifort quch quch (Fri Apr 23 2004 - 16:08:05 CDT)
RE: AMBER: compile amber8 in linux with ifort Ross Walker (Fri Apr 23 2004 - 16:23:21 CDT)
RE: AMBER: compile amber8 in linux with ifort Ross Walker (Fri Apr 23 2004 - 16:42:39 CDT)
Re: AMBER: compile amber8 in linux with ifort Viktor Hornak (Fri Apr 23 2004 - 16:49:49 CDT)
RE: AMBER: compile amber8 in linux with ifort quch quch (Fri Apr 23 2004 - 16:50:52 CDT)
AMBER: Antechamber: problems with bcc correction Oliver Hucke (Fri Apr 23 2004 - 17:08:47 CDT)
AMBER: "matrix" in ptraj Sichun Yang (Fri Apr 23 2004 - 20:19:28 CDT)
AMBER: NSNB parameter Helios Chen (Fri Apr 23 2004 - 22:45:42 CDT)
Re: AMBER: pmemd and mpich - myrinet Lubos Vrbka (Sat Apr 24 2004 - 05:50:02 CDT)
Re: AMBER: "matrix" in ptraj Holger Gohlke (Sat Apr 24 2004 - 06:47:41 CDT)
Re: AMBER: Parameters for nonpolar contribution to solvation Holger Gohlke (Sat Apr 24 2004 - 07:06:34 CDT)
AMBER: tutorial of Biotin/Streptavidin Helios Chen (Sat Apr 24 2004 - 08:37:43 CDT)
Re: AMBER: NSNB parameter Chris Moth (Sat Apr 24 2004 - 07:31:55 CDT)
Re: AMBER: pmemd and mpich - myrinet Robert Duke (Sat Apr 24 2004 - 07:31:59 CDT)
Re: AMBER: instalation of amber7 on SUN David A. Case (Sat Apr 24 2004 - 13:00:40 CDT)
Re: AMBER: tutorial of Biotin/Streptavidin David A. Case (Sat Apr 24 2004 - 15:08:00 CDT)
Re: AMBER: NSNB parameter Robert Duke (Sat Apr 24 2004 - 09:05:05 CDT)
Re: AMBER: NSNB parameter David A. Case (Sat Apr 24 2004 - 15:13:11 CDT)
Re: AMBER: pmemd and mpich - myrinet Lubos Vrbka (Sat Apr 24 2004 - 16:18:11 CDT)
AMBER: Optimizing a structure and the interpretation of it Ilyas Yildirim (Sat Apr 24 2004 - 18:08:14 CDT)
Re: AMBER: "matrix" in ptraj Sichun Yang (Sat Apr 24 2004 - 18:20:50 CDT)
Re: AMBER: "matrix" in ptraj Thomas E. Cheatham, III (Sat Apr 24 2004 - 19:30:34 CDT)
Re: AMBER: NSNB parameter Robert Duke (Sat Apr 24 2004 - 22:05:51 CDT)
Re: AMBER: Antechamber: problems with bcc correction David A. Case (Sun Apr 25 2004 - 02:26:59 CDT)
AMBER: PMEMD scaling Lubos Vrbka (Sun Apr 25 2004 - 09:07:43 CDT)
Re: AMBER: PMEMD scaling Robert Duke (Sun Apr 25 2004 - 10:24:11 CDT)
Re: AMBER: Optimizing a structure and the interpretation of it Kazuo Koyano (Mon Apr 26 2004 - 00:14:25 CDT)
Re: AMBER: mm_pbsa examples; delphi in mm_pbsa Holger Gohlke (Mon Apr 26 2004 - 08:11:28 CDT)
Re: AMBER: overlap between HE and OE in GLH tim (Mon Apr 26 2004 - 09:11:08 CDT)
Re: AMBER: neutral residues tim (Mon Apr 26 2004 - 09:26:09 CDT)
RE: AMBER: overlap between HE and OE in GLH Yong Duan (Mon Apr 26 2004 - 12:24:32 CDT)
RE: AMBER: neutral residues Yong Duan (Mon Apr 26 2004 - 12:25:46 CDT)
AMBER: universal recognition of chemicals Ioana Cozmuta (Mon Apr 26 2004 - 17:15:55 CDT)
AMBER: PARMSCAN Sergio Emanuel Galembeck (Mon Apr 26 2004 - 13:29:05 CDT)
AMBER: overlap between HE and OE in GLH Hailong Lin (Mon Apr 26 2004 - 10:49:36 CDT)
AMBER: neutral residues Mikyung Seo (Mon Apr 26 2004 - 11:33:04 CDT)
RE: AMBER: overlap between HE and OE in GLH Yong Duan (Mon Apr 26 2004 - 12:17:00 CDT)
RE: AMBER: universal recognition of chemicals Ross Walker (Mon Apr 26 2004 - 17:35:41 CDT)
AMBER: Titratable amino acid termini Sarah Harris (Tue Apr 27 2004 - 04:43:16 CDT)
Re: AMBER: overlap between HE and OE in GLH Hailong Lin (Tue Apr 27 2004 - 09:32:47 CDT)
Re: AMBER: pmemd and mpich - myrinet Lubos Vrbka (Tue Apr 27 2004 - 09:58:25 CDT)
AMBER: AMBER Gibbs Memory problem Jiten (Tue Apr 27 2004 - 11:01:09 CDT)
AMBER: amber8 performance on linux cluster quch quch (Tue Apr 27 2004 - 12:05:45 CDT)
AMBER: xleap don't recognize formaldehyde? scopio (Tue Apr 27 2004 - 09:53:00 CDT)
Re: AMBER: amber8 performance on linux cluster Lubos Vrbka (Tue Apr 27 2004 - 12:26:14 CDT)
RE: AMBER: amber8 performance on linux cluster Yong Duan (Tue Apr 27 2004 - 12:47:21 CDT)
AMBER: PMEMD and ifort 8 update Robert Duke (Tue Apr 27 2004 - 13:08:05 CDT)
AMBER: Additional note on ld.so.conf vs. LD_LIBRARY_PATH Robert Duke (Tue Apr 27 2004 - 13:29:35 CDT)
Re: AMBER: PMEMD and ifort 8 update David A. Case (Tue Apr 27 2004 - 13:52:02 CDT)
Re: AMBER: xleap don't recognize formaldehyde? David A. Case (Tue Apr 27 2004 - 13:56:30 CDT)
Re: AMBER: AMBER Gibbs Memory problem David A. Case (Tue Apr 27 2004 - 14:04:15 CDT)
Re: AMBER: Additional note on ld.so.conf vs. LD_LIBRARY_PATH David E. Konerding DSD Staff (Tue Apr 27 2004 - 17:11:33 CDT)
Re: AMBER: Additional note on ld.so.conf vs. LD_LIBRARY_PATH Robert Duke (Tue Apr 27 2004 - 17:36:51 CDT)
Re: AMBER: partition error in shake Scott Brozell (Tue Apr 27 2004 - 17:26:44 CDT)
Re: AMBER: Titratable amino acid termini John Mongan (Tue Apr 27 2004 - 18:28:15 CDT)
AMBER: %GIBBS-F-MISMATCH, The parm and coord files disagree on the number of atoms Jiten (Tue Apr 27 2004 - 21:29:25 CDT)
AMBER: question on simulated annealing Venkata S Koppuravuri (Wed Apr 28 2004 - 11:00:39 CDT)
Re: AMBER: question on simulated annealing David A. Case (Wed Apr 28 2004 - 11:24:59 CDT)
Re: AMBER: %GIBBS-F-MISMATCH, The parm and coord files disagree on the number of atoms David A. Case (Wed Apr 28 2004 - 12:56:10 CDT)
Re: AMBER: questions about NMODE David A. Case (Wed Apr 28 2004 - 14:06:01 CDT)
AMBER: questions about NMODE xhu1_at_memphis.edu (Wed Apr 28 2004 - 12:43:34 CDT)
Re: AMBER: antechamber bcctype.c typo David A. Case (Wed Apr 28 2004 - 16:42:11 CDT)
Re: AMBER: questions about NMODE xhu1_at_memphis.edu (Wed Apr 28 2004 - 16:47:18 CDT)
Re: AMBER: questions about NMODE David A. Case (Wed Apr 28 2004 - 17:24:34 CDT)
Re: AMBER: questions about NMODE xhu1_at_memphis.edu (Wed Apr 28 2004 - 18:04:04 CDT)
Re: AMBER: questions about NMODE David A. Case (Wed Apr 28 2004 - 19:21:41 CDT)
AMBER: a general question about the mmpbsa method a b (Wed Apr 28 2004 - 22:51:00 CDT)
AMBER: mm_pbsa question: MAXAT=10000 exceeded Fang, Jianwen (Wed Apr 28 2004 - 23:48:09 CDT)
Re: AMBER: mm_pbsa question: MAXAT=10000 exceeded Holger Gohlke (Thu Apr 29 2004 - 01:42:27 CDT)
AMBER: VS: mmpbsa question Olayiwola Adekoya (Thu Apr 29 2004 - 04:32:32 CDT)
AMBER: Redhat install Helios Chen (Thu Apr 29 2004 - 09:24:17 CDT)
Re: AMBER: Redhat install David A. Case (Thu Apr 29 2004 - 12:32:33 CDT)
Re: AMBER: questions about NMODE xhu1_at_memphis.edu (Thu Apr 29 2004 - 13:11:41 CDT)
Re: AMBER: questions about NMODE David A. Case (Thu Apr 29 2004 - 14:03:54 CDT)
AMBER: CHARMM PSF to PRMTOP Gabbar Daaku (Thu Apr 29 2004 - 16:42:33 CDT)
Re: AMBER: questions about NMODE xhu1_at_memphis.edu (Thu Apr 29 2004 - 18:34:08 CDT)
Re: AMBER: Redhat install scopio (Thu Apr 29 2004 - 19:32:26 CDT)
Re: AMBER: Redhat install Mengjuei Hsieh (Thu Apr 29 2004 - 23:44:12 CDT)
AMBER: Angle Restraining Pooja Narang (Fri Apr 30 2004 - 02:17:30 CDT)
Re: AMBER: VS: mmpbsa question Holger Gohlke (Fri Apr 30 2004 - 02:47:32 CDT)
AMBER: just sander not run Helios Chen (Fri Apr 30 2004 - 04:27:45 CDT)
AMBER: energy criteria. anshul_at_imtech.res.in (Fri Apr 30 2004 - 15:51:04 CDT)
Re: AMBER: just sander not run David A. Case (Fri Apr 30 2004 - 10:34:47 CDT)
Re: AMBER: Angle Restraining David A. Case (Fri Apr 30 2004 - 10:39:27 CDT)
Re: AMBER: energy criteria. David A. Case (Fri Apr 30 2004 - 10:36:13 CDT)
AMBER: Amber8 compilation error Arvind (Fri Apr 30 2004 - 12:04:02 CDT)
Re: AMBER: energy criteria. Chris Moth (Fri Apr 30 2004 - 13:03:39 CDT)
Re: AMBER: Amber8 compilation error David A. Case (Fri Apr 30 2004 - 13:31:57 CDT)
Re: AMBER: Amber8 compilation error Arvind (Fri Apr 30 2004 - 14:50:38 CDT)
Re: AMBER: Amber8 compilation error Bill Ross (Fri Apr 30 2004 - 15:50:28 CDT)
AMBER: esp or resp for all_amino94.lib Mikyung Seo (Fri Apr 30 2004 - 18:06:54 CDT)
Re: AMBER: esp or resp for all_amino94.lib FyD (Fri Apr 30 2004 - 18:28:57 CDT)
AMBER: problem for compiling amber7 by ifc8 scopio (Sat May 01 2004 - 07:26:57 CDT)
Re: AMBER: problem for compiling amber7 by ifc8 Viktor Hornak (Sat May 01 2004 - 09:11:49 CDT)
AMBER: Gibbs and solvent caps Sébastien Osborne (Sat May 01 2004 - 13:59:07 CDT)
AMBER: ptraj: radius of gyration Sichun Yang (Sat May 01 2004 - 21:50:37 CDT)
Re: AMBER: ptraj: radius of gyration Scott Brozell (Sun May 02 2004 - 03:09:12 CDT)
AMBER: xleap problem hj zou (Sun May 02 2004 - 08:49:40 CDT)
Re: AMBER: ptraj: radius of gyration Bill Ross (Sun May 02 2004 - 15:12:23 CDT)
Re: AMBER: xleap problem David A. Case (Sun May 02 2004 - 16:07:20 CDT)
Re: AMBER: xleap problem Oliver Hucke (Sun May 02 2004 - 17:53:42 CDT)
Re: AMBER: problem for compiling amber7 by ifc8 scopio (Sun May 02 2004 - 19:15:58 CDT)
AMBER: nmode analysis sebnem (Sun May 02 2004 - 19:52:12 CDT)
Re: AMBER: problem for compiling amber7 by ifc8 scopio (Sun May 02 2004 - 23:18:31 CDT)
Re: Re: AMBER: xleap problem hj zou (Mon May 03 2004 - 03:02:34 CDT)
Re: AMBER: Gibbs and solvent caps Miguel de Federico (Mon May 03 2004 - 05:28:47 CDT)
Re: AMBER: xleap problem scopio (Mon May 03 2004 - 03:51:03 CDT)
AMBER: any program or tool Helios Chen (Mon May 03 2004 - 05:16:15 CDT)
Re: AMBER: any program or tool Andreas Svrcek-Seiler (Mon May 03 2004 - 07:11:50 CDT)
Re: AMBER: any program or tool Viktor Hornak (Mon May 03 2004 - 07:18:56 CDT)
Re: Re: AMBER: xleap problem David A. Case (Mon May 03 2004 - 10:45:34 CDT)
Re: AMBER: nmode analysis David A. Case (Mon May 03 2004 - 10:50:44 CDT)
Re: AMBER: nmode analysis sebnem_at_mercury.chem.pitt.edu (Mon May 03 2004 - 11:31:18 CDT)
Re: AMBER: nmode analysis David A. Case (Mon May 03 2004 - 12:14:19 CDT)
AMBER: some bugfixes David A. Case (Mon May 03 2004 - 13:10:47 CDT)
Re: AMBER: some bugfixes Sébastien Osborne (Mon May 03 2004 - 13:14:33 CDT)
AMBER: resp demo files Kristy Mardis (Mon May 03 2004 - 14:29:45 CDT)
Re: AMBER: resp demo files FyD (Mon May 03 2004 - 16:40:15 CDT)
AMBER: why delete water molecule Helios Chen (Mon May 03 2004 - 23:18:49 CDT)
AMBER: separate the longitudinal and transverse vibrations frequencies xiaowei li (Mon May 03 2004 - 23:33:11 CDT)
AMBER: Troubles in the NTP simulation: "vlimit exceeded". Ülo Lille (Tue May 04 2004 - 05:16:24 CDT)
Re: AMBER: Troubles in the NTP simulation: "vlimit exceeded". Jiten (Tue May 04 2004 - 05:58:20 CDT)
AMBER: PMF correction factor Harvey, David Richard (Tue May 04 2004 - 08:35:13 CDT)
AMBER: How to choose force constant? tomjas_at_poczta.onet.pl (Tue May 04 2004 - 08:48:44 CDT)
Re: AMBER: why delete water molecule Dr. Yong Duan (Tue May 04 2004 - 09:40:57 CDT)
Re: AMBER: Troubles in the NTP simulation: "vlimit exceeded". David A. Case (Tue May 04 2004 - 10:10:36 CDT)
AMBER: Normal Mode Analysis possibility myang (Tue May 04 2004 - 10:52:05 CDT)
Re: AMBER: why delete water molecule Oliver Hucke (Tue May 04 2004 - 11:23:01 CDT)
Re: AMBER: Troubles in the NTP simulation: "vlimit exceeded". Bill Ross (Tue May 04 2004 - 11:44:16 CDT)
AMBER: reproduction of RESP charges for Gly Mikyung Seo (Tue May 04 2004 - 12:51:01 CDT)
AMBER: problem with MM/PBSA Itziar Maestre Asenjo (Tue May 04 2004 - 11:38:32 CDT)
Re: AMBER: PMF correction factor David A. Case (Tue May 04 2004 - 13:01:18 CDT)
Re: AMBER: some bugfixes Oliver Hucke (Tue May 04 2004 - 13:12:53 CDT)
Re: AMBER: separate the longitudinal and transverse vibrations frequencies David A. Case (Tue May 04 2004 - 13:15:38 CDT)
Re: AMBER: Normal Mode Analysis possibility David A. Case (Tue May 04 2004 - 13:25:27 CDT)
Re: AMBER: some bugfixes Junmei Wang (Tue May 04 2004 - 14:23:55 CDT)
Re: AMBER: reproduction of RESP charges for Gly FyD (Tue May 04 2004 - 15:16:00 CDT)
Re: AMBER: reproduction of RESP charges for Gly Bill Ross (Tue May 04 2004 - 15:24:41 CDT)
Re: AMBER: reproduction of RESP charges for Gly Bill Ross (Tue May 04 2004 - 15:35:49 CDT)
Re: AMBER: reproduction of RESP charges for Gly FyD (Tue May 04 2004 - 15:48:43 CDT)
AMBER: antechamber Guanglei Cui (Tue May 04 2004 - 21:49:28 CDT)
Re: AMBER: xleap problem hj zou (Tue May 04 2004 - 21:44:43 CDT)
AMBER: methane box anshul_at_imtech.res.in (Wed May 05 2004 - 13:57:16 CDT)
AMBER: ptraj analyze matrix entropy Marcin Krol (Wed May 05 2004 - 04:19:32 CDT)
AMBER: H Bonds anshul_at_imtech.res.in (Wed May 05 2004 - 15:07:01 CDT)
AMBER: Implicit solvents anshul_at_imtech.res.in (Wed May 05 2004 - 15:10:20 CDT)
Re: AMBER: problem with MM/PBSA Holger Gohlke (Wed May 05 2004 - 05:14:47 CDT)
Re: AMBER: ptraj analyze matrix entropy Holger Gohlke (Wed May 05 2004 - 05:28:57 CDT)
Re: AMBER: ptraj analyze matrix entropy Marcin Krol (Wed May 05 2004 - 10:07:05 CDT)
Re: AMBER: methane box FyD (Wed May 05 2004 - 10:36:08 CDT)
Re: AMBER: Implicit solvents David A. Case (Wed May 05 2004 - 10:54:56 CDT)
Re: AMBER: H Bonds David A. Case (Wed May 05 2004 - 11:20:26 CDT)
AMBER: reorientation in R.E.D Mikyung Seo (Wed May 05 2004 - 11:38:01 CDT)
Re: AMBER: ptraj analyze matrix entropy Holger Gohlke (Wed May 05 2004 - 11:32:23 CDT)
Re: AMBER: reorientation in R.E.D FyD (Wed May 05 2004 - 12:55:51 CDT)
AMBER: antechamber gives GDP 0 charge Raik Grünberg (Wed May 05 2004 - 15:17:53 CDT)
Re: AMBER: antechamber gives GDP 0 charge Oliver Hucke (Wed May 05 2004 - 15:46:06 CDT)
Re: AMBER: antechamber Amber admin (Wed May 05 2004 - 15:51:22 CDT)
Re: AMBER: H Bonds Bill Ross (Wed May 05 2004 - 16:18:22 CDT)
Re: AMBER: antechamber Scott Brozell (Wed May 05 2004 - 16:30:17 CDT)
AMBER: Solvent accessible surface area(LCPO) computation Sunil_Koovakkat_at_berlex.com (Wed May 05 2004 - 16:51:59 CDT)
Re: AMBER: How to choose force constant? David A. Case (Wed May 05 2004 - 17:00:14 CDT)
AMBER: Sander klambda question Linda Prengaman (Wed May 05 2004 - 17:14:22 CDT)
Re: AMBER: Sander klambda question David A. Case (Wed May 05 2004 - 18:43:44 CDT)
Re: AMBER: H Bonds Sanjeev B.S. (Thu May 06 2004 - 00:09:06 CDT)
AMBER: simulated anealing ...vlimit exceed anshul_at_imtech.res.in (Thu May 06 2004 - 16:50:35 CDT)
Re: AMBER: simulated anealing ...vlimit exceed Carlos Simmerling (Thu May 06 2004 - 06:47:48 CDT)
Re: AMBER: H Bonds anshul_at_imtech.res.in (Thu May 06 2004 - 17:51:32 CDT)
Re: AMBER: H Bonds anshul_at_imtech.res.in (Thu May 06 2004 - 18:01:33 CDT)
Re: AMBER: simulated anealing ...vlimit exceed anshul_at_imtech.res.in (Thu May 06 2004 - 18:14:53 CDT)
Re: AMBER: simulated anealing ...vlimit exceed Carlos Simmerling (Thu May 06 2004 - 08:24:02 CDT)
Re: AMBER: ptraj analyze matrix entropy Marcin Krol (Thu May 06 2004 - 08:48:02 CDT)
AMBER: Possible amber8 antechamber PDB parsing bug Mark Williamson (Thu May 06 2004 - 10:16:19 CDT)
Re: AMBER: ptraj analyze matrix entropy David A. Case (Thu May 06 2004 - 10:29:30 CDT)
AMBER: ions in mm_pbsa Fang, Jianwen (Thu May 06 2004 - 10:30:12 CDT)
AMBER: Ligand from CCDC. Osman Gani (Thu May 06 2004 - 10:38:16 CDT)
AMBER: Possible amber8 antechamber PDB parsing bug Junmei Wang (Thu May 06 2004 - 12:09:30 CDT)
FW: AMBER: ions in mm_pbsa S. Frank Yan (Thu May 06 2004 - 12:23:55 CDT)
Re: AMBER: H Bonds Bill Ross (Thu May 06 2004 - 13:16:11 CDT)
AMBER: Computing psec/day using Amber 8 Craig TOEPFER (Thu May 06 2004 - 13:21:53 CDT)
AMBER: Opteron PMEMD Gary Waters (Thu May 06 2004 - 13:29:56 CDT)
Re: AMBER: Computing psec/day using Amber 8 David A. Case (Thu May 06 2004 - 13:42:37 CDT)
Re: AMBER: ions in mm_pbsa Thomas E. Cheatham, III (Thu May 06 2004 - 14:07:42 CDT)
Re: AMBER: Computing psec/day using Amber 8 Craig TOEPFER (Thu May 06 2004 - 14:19:01 CDT)
Re: AMBER: Computing psec/day using Amber 8 David A. Case (Thu May 06 2004 - 14:27:10 CDT)
AMBER: reference with ptraj John (Thu May 06 2004 - 14:50:48 CDT)
Re: AMBER: reference with ptraj Thomas E. Cheatham, III (Thu May 06 2004 - 15:11:58 CDT)
Re: AMBER: Opteron PMEMD Robert Duke (Thu May 06 2004 - 15:31:46 CDT)
AMBER: cap waters always flexible? Oliver Hucke (Thu May 06 2004 - 15:41:19 CDT)
AMBER: choosing 3 atoms for reorientaion in R.E.D Mikyung Seo (Thu May 06 2004 - 16:38:19 CDT)
Re: AMBER: choosing 3 atoms for reorientaion in R.E.D FyD (Thu May 06 2004 - 17:00:44 CDT)
Re: AMBER: reference with ptraj Bill Ross (Thu May 06 2004 - 17:05:55 CDT)
Re: AMBER: Opteron PMEMD David A. Case (Thu May 06 2004 - 17:09:47 CDT)
Re: AMBER: reference with ptraj Thomas E. Cheatham, III (Thu May 06 2004 - 17:12:18 CDT)
AMBER: solvent cap and eedmeth Oliver Hucke (Thu May 06 2004 - 18:31:42 CDT)
AMBER: ntwprt feature in AMBER7 Dave S Walker (Thu May 06 2004 - 21:26:51 CDT)
Re: AMBER: reference with ptraj Fernandez-Carmona Juan (Fri May 07 2004 - 01:27:53 CDT)
AMBER: ptraj analyze matrix entropy Marcin Krol (Fri May 07 2004 - 03:01:23 CDT)
Re: AMBER: H Bonds Sanjeev B.S. (Fri May 07 2004 - 03:38:24 CDT)
Re: AMBER: ptraj analyze matrix entropy Holger Gohlke (Fri May 07 2004 - 07:48:51 CDT)
Re: AMBER: solvent cap and eedmeth David A. Case (Fri May 07 2004 - 10:20:18 CDT)
Re: AMBER: Solvent accessible surface area(LCPO) computation David A. Case (Fri May 07 2004 - 10:23:33 CDT)
AMBER: hbond in ptraj Qiang Lu (Fri May 07 2004 - 13:43:33 CDT)
Re: AMBER: hbond in ptraj Thomas E. Cheatham, III (Fri May 07 2004 - 14:15:15 CDT)
Re: AMBER: xleap don't recognize formaldehyde? anshul_at_imtech.res.in (Sat May 08 2004 - 14:44:33 CDT)
AMBER: Charges and atom type anshul_at_imtech.res.in (Sat May 08 2004 - 16:06:25 CDT)
AMBER: what is its file format ? scopio (Sat May 08 2004 - 09:13:21 CDT)
AMBER: ligand minimization atobak_at_eden.rutgers.edu (Sat May 08 2004 - 16:13:21 CDT)
AMBER: MD with NTR + NMROPT Martin Fabani (Mon May 10 2004 - 03:56:28 CDT)
AMBER: HIS protonation Stefano.Pieraccini_at_unimi.it (Mon May 10 2004 - 04:50:40 CDT)
Re: AMBER: HIS protonation scopio (Mon May 10 2004 - 06:00:19 CDT)
AMBER: ptraj read in matrix Marcin Krol (Mon May 10 2004 - 06:57:25 CDT)
AMBER: Carnal question opitz_at_che.udel.edu (Mon May 10 2004 - 10:08:18 CDT)
Re: AMBER: MD with NTR + NMROPT David A. Case (Mon May 10 2004 - 10:46:06 CDT)
AMBER: A parm file suit for half beta and half alpha structure Qiang Lu (Mon May 10 2004 - 13:51:57 CDT)
Re: AMBER: some bugfixes David A. Case (Mon May 10 2004 - 18:10:08 CDT)
AMBER: question about mm-pbsa aini_at_UMDNJ.EDU (Mon May 10 2004 - 19:10:05 CDT)
AMBER: what does EAMBER stand for? scopio (Mon May 10 2004 - 20:08:35 CDT)
Re: AMBER: question about mm-pbsa Thomas Steinbrecher (Mon May 10 2004 - 20:10:09 CDT)
AMBER: simulated anealing ...vlimit exceed Michele Porro (Tue May 11 2004 - 02:24:56 CDT)
AMBER: mm-pbsa:- atom charges and radii ? Jeffrey Dyason (Tue May 11 2004 - 03:07:12 CDT)
AMBER: gaussian03 output in antechamber Stefano.Pieraccini_at_unimi.it (Tue May 11 2004 - 04:27:46 CDT)
Re: AMBER: mm-pbsa:- atom charges and radii ? Thomas E. Cheatham, III (Tue May 11 2004 - 09:24:17 CDT)
Re: AMBER: ptraj read in matrix Holger Gohlke (Tue May 11 2004 - 09:45:11 CDT)
AMBER: PMEMD Built ? Wont run.. Gary Waters (Tue May 11 2004 - 11:00:33 CDT)
Re: AMBER: PMEMD Built ? Wont run.. david.evans_at_ulsop.ac.uk (Tue May 11 2004 - 11:32:18 CDT)
Re: AMBER: PMEMD Built ? Wont run.. Gary Waters (Tue May 11 2004 - 11:55:14 CDT)
Re: AMBER: PMEMD Built ? Wont run.. Amber admin (Tue May 11 2004 - 12:25:03 CDT)
Re: AMBER: what does EAMBER stand for? David A. Case (Tue May 11 2004 - 12:30:56 CDT)
Re: AMBER: PMEMD Built ? Wont run.. Gary Waters (Tue May 11 2004 - 12:36:16 CDT)
Re: AMBER: what does EAMBER stand for? Scott Brozell (Tue May 11 2004 - 12:45:09 CDT)
Re: AMBER: mm-pbsa:- atom charges and radii ? Ray Luo (Tue May 11 2004 - 01:21:06 CDT)
Re: AMBER: PMEMD Built ? Wont run.. Scott Brozell (Tue May 11 2004 - 14:41:15 CDT)
Re: AMBER: PMEMD Built ? Wont run.. Gary Waters (Tue May 11 2004 - 15:08:49 CDT)
AMBER: ptraj and LES Guanglei Cui (Tue May 11 2004 - 16:00:12 CDT)
Re: AMBER: PMEMD Built ? Wont run.. Amber Administration (Tue May 11 2004 - 16:15:14 CDT)
AMBER: AMBER charges(Cornell et al JACS, 1995) and R.E.D Mikyung Seo (Tue May 11 2004 - 17:51:01 CDT)
AMBER: dummy atom other than H Carsten Detering (Tue May 11 2004 - 20:12:22 CDT)
AMBER: Problem : antechamber produces no output Marc Perea (Tue May 11 2004 - 05:19:52 CDT)
Re: AMBER: MD with NTR + NMROPT anshul_at_imtech.res.in (Wed May 12 2004 - 10:07:49 CDT)
Re: AMBER: mm-pbsa:- atom charges and radii ? Holger Gohlke (Wed May 12 2004 - 01:40:52 CDT)
AMBER: gaussian03 output in antechamber Stefano.Pieraccini_at_unimi.it (Wed May 12 2004 - 03:46:17 CDT)
AMBER: shake option in sander Lishan Yao (Wed May 12 2004 - 08:32:48 CDT)
AMBER: dihedral driver Beale, John (Wed May 12 2004 - 08:58:35 CDT)
Re: AMBER: Problem : antechamber produces no output Junmei Wang (Wed May 12 2004 - 09:40:00 CDT)
Re: AMBER: ptraj and LES David A. Case (Wed May 12 2004 - 10:19:00 CDT)
Re: AMBER: AMBER charges(Cornell et al JACS, 1995) and R.E.D FyD (Wed May 12 2004 - 11:42:31 CDT)
RE: AMBER: AMBER charges(Cornell et al JACS, 1995) and R.E.D FyD (Wed May 12 2004 - 13:01:31 CDT)
Re: AMBER: AMBER charges(Cornell et al JACS, 1995) and R.E.D Piotr Cieplak (Wed May 12 2004 - 13:57:20 CDT)
Re: AMBER: MD with NTR + NMROPT David A. Case (Wed May 12 2004 - 14:09:24 CDT)
Re: AMBER: shake option in sander David A. Case (Wed May 12 2004 - 14:11:53 CDT)
AMBER: performance of periodic vs. non-periodic simulation Oliver Hucke (Wed May 12 2004 - 14:08:18 CDT)
Re: AMBER: dummy atom other than H David A. Case (Wed May 12 2004 - 14:30:26 CDT)
Re: AMBER: ptraj and LES Guanglei Cui (Wed May 12 2004 - 14:34:31 CDT)
Re: AMBER: performance of periodic vs. non-periodic simulation Thomas E. Cheatham, III (Wed May 12 2004 - 15:17:33 CDT)
Re: AMBER: performance of periodic vs. non-periodic simulation Oliver Hucke (Wed May 12 2004 - 15:42:50 CDT)
Re: AMBER: dummy atom other than H Carsten Detering (Wed May 12 2004 - 16:18:23 CDT)
AMBER: tmd questions hj zou (Wed May 12 2004 - 21:07:36 CDT)
Re: AMBER: performance of periodic vs. non-periodic simulation Ben Cossins (Thu May 13 2004 - 04:22:21 CDT)
Re: AMBER: tmd questions Carlos Simmerling (Thu May 13 2004 - 06:41:31 CDT)
Re: AMBER: tmd questions Viktor Hornak (Thu May 13 2004 - 07:16:36 CDT)
AMBER: Atom type with/without POL Jiten (Thu May 13 2004 - 09:01:38 CDT)
Re: AMBER: performance of periodic vs. non-periodic simulation Oliver Hucke (Thu May 13 2004 - 11:14:08 CDT)
AMBER: antechamber/Mopac: strange GTP charges Raik Grünberg (Thu May 13 2004 - 12:57:06 CDT)
Re: AMBER: antechamber/Mopac: strange GTP charges carlsonh_at_umich.edu (Thu May 13 2004 - 13:40:03 CDT)
Re: AMBER: antechamber/Mopac: strange GTP charges David A. Case (Thu May 13 2004 - 13:41:18 CDT)
AMBER: sander_classic for cap simulations? Oliver Hucke (Thu May 13 2004 - 17:43:36 CDT)
AMBER: Decomposition in MMPBSA Thomas Steinbrecher (Thu May 13 2004 - 19:15:03 CDT)
Re: AMBER: mm_pbsa examples; delphi in mm_pbsa Kazuo Koyano (Fri May 14 2004 - 04:35:36 CDT)
AMBER: FAD cofactor. Osman Gani (Fri May 14 2004 - 04:34:28 CDT)
Re: AMBER: antechamber/Mopac: strange GTP charges Raik Grünberg (Fri May 14 2004 - 05:35:13 CDT)
AMBER: Converting ORAC's topology file to AMBER's prepi file scopio (Fri May 14 2004 - 07:30:32 CDT)
AMBER: Simulated annealing ...vlimit problem Venkata S Koppuravuri (Fri May 14 2004 - 09:22:44 CDT)
AMBER: time-averaged restraints John (Fri May 14 2004 - 12:04:49 CDT)
AMBER: questions on mm_pbsa Fang, Jianwen (Fri May 14 2004 - 13:49:54 CDT)
Re: AMBER: antechamber/Mopac: strange GTP charges David A. Case (Fri May 14 2004 - 14:20:24 CDT)
AMBER: solvents reference. Herbert Georg (Fri May 14 2004 - 14:56:38 CDT)
Re: AMBER: solvents reference. David A. Case (Fri May 14 2004 - 15:16:06 CDT)
AMBER: antechamber anshul_at_imtech.res.in (Sat May 15 2004 - 11:43:48 CDT)
AMBER: install RESP Gustavo Pierdominici Sottile (Sat May 15 2004 - 06:54:41 CDT)
AMBER: installing RESP Gustavo Pierdominici Sottile (Sat May 15 2004 - 06:52:59 CDT)
Re: AMBER: antechamber David A. Case (Sat May 15 2004 - 11:02:30 CDT)
Re: AMBER: install RESP David A. Case (Sat May 15 2004 - 11:03:57 CDT)
Re: AMBER: Simulated annealing ...vlimit problem David A. Case (Sat May 15 2004 - 11:14:06 CDT)
AMBER: Program error in testing of Amber8 Do Anh Tuan (Sat May 15 2004 - 23:16:44 CDT)
AMBER: energy conservation with GB !! Pradipta Bandyopadhyay (Sun May 16 2004 - 01:27:01 CDT)
Re: AMBER: energy conservation with GB !! Dr. Yong Duan (Sun May 16 2004 - 01:58:25 CDT)
Re: AMBER: Simulated annealing ...vlimit problem anshul_at_imtech.res.in (Sun May 16 2004 - 15:01:55 CDT)
Re: AMBER: Program error in testing of Amber8 Scott Brozell (Sun May 16 2004 - 18:17:44 CDT)
AMBER: parametrizacion partial charges Gustavo Pierdominici Sottile (Mon May 17 2004 - 08:45:58 CDT)
AMBER: why EGB = nan Fang, Jianwen (Mon May 17 2004 - 09:54:44 CDT)
Re: AMBER: parametrizacion partial charges FyD (Mon May 17 2004 - 10:37:02 CDT)
Re: AMBER: antechamber/Mopac: strange GTP charges Raik Grünberg (Mon May 17 2004 - 10:38:17 CDT)
Re: AMBER: Simulated annealing ...vlimit problem Venkata S Koppuravuri (Mon May 17 2004 - 12:00:44 CDT)
Re: AMBER: Simulated annealing ...vlimit problem Carlos Simmerling (Mon May 17 2004 - 12:08:56 CDT)
Re: AMBER: ptraj analyze matrix entropy Holger Gohlke (Mon May 17 2004 - 13:05:57 CDT)
AMBER: Gustavo Pierdominici Sottile (Mon May 17 2004 - 13:38:53 CDT)
AMBER: Treating atom type LP the same as EP Sarah Wittkopp (Mon May 17 2004 - 14:16:20 CDT)
Re: AMBER: Simulated annealing ...vlimit problem David A. Case (Mon May 17 2004 - 14:27:30 CDT)
Re: AMBER: antechamber/Mopac: strange GTP charges David A. Case (Mon May 17 2004 - 14:31:38 CDT)
Re: AMBER: ptraj analyze matrix entropy David A. Case (Mon May 17 2004 - 14:36:41 CDT)
Re: AMBER: sander_classic for cap simulations? David A. Case (Mon May 17 2004 - 15:18:41 CDT)
AMBER: thermodynamic integration of ring opening Carsten Detering (Mon May 17 2004 - 15:37:42 CDT)
Re: AMBER: thermodynamic integration of ring opening Bill Ross (Mon May 17 2004 - 17:47:24 CDT)
Re: AMBER: thermodynamic integration of ring opening David A. Case (Mon May 17 2004 - 18:21:15 CDT)
Re: AMBER: thermodynamic integration of ring opening Bill Ross (Mon May 17 2004 - 18:42:25 CDT)
Re: AMBER: thermodynamic integration of ring opening M. L. Dodson (Mon May 17 2004 - 18:46:29 CDT)
Re: AMBER: thermodynamic integration of ring opening Bill Ross (Mon May 17 2004 - 19:10:36 CDT)
Re: AMBER: Simulated annealing ...vlimit problem Narang Manpreet Kaur (Tue May 18 2004 - 09:09:31 CDT)
AMBER: single amino acid energy Helios Chen (Tue May 18 2004 - 03:15:02 CDT)
AMBER: PCA prep file Majid moghaddam (Tue May 18 2004 - 03:19:26 CDT)
AMBER: CAP PROTOCOL SIMULATION Obdulia Rabal (Tue May 18 2004 - 04:32:29 CDT)
AMBER: Clean in RESP Gustavo Pierdominici Sottile (Tue May 18 2004 - 06:46:38 CDT)
AMBER: DEBUG and GB Jones, Garth A (Tue May 18 2004 - 07:02:32 CDT)
Re: AMBER: CAP PROTOCOL SIMULATION Andreas Svrcek-Seiler (Tue May 18 2004 - 07:13:56 CDT)
Re: AMBER: thermodynamic integration of ring opening M. L. Dodson (Tue May 18 2004 - 07:33:28 CDT)
AMBER: NTT=4 Joachim Reichelt (Tue May 18 2004 - 09:30:33 CDT)
Re: AMBER: Clean in RESP David A. Case (Tue May 18 2004 - 09:55:42 CDT)
Re: AMBER: NTT=4 David A. Case (Tue May 18 2004 - 09:57:19 CDT)
Re: AMBER: questions on mm_pbsa Holger Gohlke (Tue May 18 2004 - 10:18:24 CDT)
Re: AMBER: single amino acid energy Holger Gohlke (Tue May 18 2004 - 10:23:26 CDT)
AMBER: CG maxitn exceeded Obdulia Rabal (Tue May 18 2004 - 11:29:53 CDT)
Re: AMBER: NTT=4 Joachim Reichelt (Tue May 18 2004 - 12:01:50 CDT)
AMBER: IGR1/grnam1 problem Marcin Krol (Tue May 18 2004 - 12:40:58 CDT)
Re: AMBER: CG maxitn exceeded Ray Luo (Mon May 17 2004 - 14:10:29 CDT)
Re: AMBER: thermodynamic integration of ring opening Bill Ross (Tue May 18 2004 - 14:08:13 CDT)
Re: AMBER: CAP PROTOCOL SIMULATION Ray Luo (Mon May 17 2004 - 16:43:55 CDT)
AMBER: PB bomb in pb_saarc S. Frank Yan (Tue May 18 2004 - 15:41:41 CDT)
Re: AMBER: CAP PROTOCOL SIMULATION Oliver Hucke (Tue May 18 2004 - 16:07:45 CDT)
AMBER: average structure from traj Holly Freedman (Tue May 18 2004 - 16:30:07 CDT)
Re: AMBER: PB bomb in pb_saarc Ray Luo (Mon May 17 2004 - 17:58:21 CDT)
Re: AMBER: CAP PROTOCOL SIMULATION Ray Luo (Mon May 17 2004 - 18:07:17 CDT)
Re: AMBER: CAP PROTOCOL SIMULATION David A. Case (Tue May 18 2004 - 17:47:26 CDT)
RE: AMBER: PB bomb in pb_saarc S. Frank Yan (Tue May 18 2004 - 18:14:36 CDT)
AMBER: Removal of rotation: Flying ice cube koby levy (Tue May 18 2004 - 19:23:54 CDT)
AMBER: rmsd over residues using ptraj Qiang Lu (Tue May 18 2004 - 19:41:16 CDT)
Re: AMBER: Removal of rotation: Flying ice cube Carlos Simmerling (Tue May 18 2004 - 19:39:59 CDT)
Re: AMBER: PB bomb in pb_saarc Ray Luo (Tue May 18 2004 - 19:54:21 CDT)
Re: AMBER: rmsd over residues using ptraj Bill Ross (Tue May 18 2004 - 19:57:54 CDT)
AMBER: Does this warning matter? (about improper torsion parameters) J. Zhang, Dr (Tue May 18 2004 - 22:04:32 CDT)
AMBER: Reproducing the energy during restart in MD! Pradipta Bandyopadhyay (Wed May 19 2004 - 01:33:27 CDT)
AMBER: problem in antechamber Suwipa saen-oon (Wed May 19 2004 - 03:27:24 CDT)
Re: AMBER: Reproducing the energy during restart in MD! Carlos Simmerling (Wed May 19 2004 - 08:41:17 CDT)
AMBER: ptraj bug? Ian Withers (Wed May 19 2004 - 09:33:38 CDT)
Re: AMBER: Does this warning matter? (about improper torsion parameters) David A. Case (Wed May 19 2004 - 10:00:59 CDT)
Re: AMBER: ptraj bug? Holger Gohlke (Wed May 19 2004 - 10:31:12 CDT)
RE: AMBER: rmsd over residues using ptraj Ty Curtis (Wed May 19 2004 - 11:23:50 CDT)
AMBER: address error Carsten Detering (Wed May 19 2004 - 12:09:12 CDT)
Re[2]: AMBER: rmsd over residues using ptraj Qiang Lu (Wed May 19 2004 - 12:19:38 CDT)
Re: Re[2]: AMBER: rmsd over residues using ptraj Bill Ross (Wed May 19 2004 - 13:34:08 CDT)
Re[4]: AMBER: rmsd over residues using ptraj Qiang Lu (Wed May 19 2004 - 14:19:33 CDT)
AMBER: Nonplanar ring systems in nucleic acid Ilyas Yildirim (Wed May 19 2004 - 15:14:14 CDT)
Re: AMBER: Nonplanar ring systems in nucleic acid darden (Wed May 19 2004 - 16:05:59 CDT)
Re: Re[4]: AMBER: rmsd over residues using ptraj Bill Ross (Wed May 19 2004 - 16:15:01 CDT)
AMBER: parallel installation problem Oliver Hucke (Wed May 19 2004 - 17:17:08 CDT)
Re: AMBER: problem in antechamber Junmei Wang (Wed May 19 2004 - 17:21:43 CDT)
AMBER: amber7, namelist, xlf and osx Knut Langsetmo (Wed May 19 2004 - 17:47:26 CDT)
AMBER: Amber8 on Tru64 UNIX on Alpha systems Jiten (Wed May 19 2004 - 20:28:50 CDT)
Re: AMBER: parallel installation problem Guanglei Cui (Wed May 19 2004 - 20:54:21 CDT)
Re: Re: AMBER: Does this warning matter? (about improper torsion parameters) J. Zhang, Dr (Wed May 19 2004 - 20:57:35 CDT)
Re: AMBER: amber7, namelist, xlf and osx Mengjuei Hsieh (Wed May 19 2004 - 19:56:23 CDT)
AMBER: instalation of RES anshul_at_imtech.res.in (Thu May 20 2004 - 13:22:08 CDT)
AMBER: SHAKE in thermodynamic integration by way of riccardo nifosi (Thu May 20 2004 - 05:38:21 CDT)
Re: AMBER: Nonplanar ring systems in nucleic acid Jiri Sponer (Thu May 20 2004 - 06:46:41 CDT)
Re: AMBER: Nonplanar ring systems in nucleic acid Jiri Sponer (Thu May 20 2004 - 07:42:16 CDT)
Re: AMBER: Amber8 on Tru64 UNIX on Alpha systems David A. Case (Thu May 20 2004 - 10:22:26 CDT)
Re: AMBER: David A. Case (Thu May 20 2004 - 12:14:13 CDT)
Re: AMBER: instalation of RES David A. Case (Thu May 20 2004 - 12:15:35 CDT)
Re: AMBER: DEBUG and GB David A. Case (Thu May 20 2004 - 13:34:38 CDT)
Re: AMBER: SHAKE in thermodynamic integration David A. Case (Thu May 20 2004 - 13:01:17 CDT)
AMBER: pbsa calculation on part of the molecule S. Frank Yan (Thu May 20 2004 - 15:25:46 CDT)
AMBER: Ammonia Lishan Yao (Thu May 20 2004 - 16:11:43 CDT)
Re: AMBER: pbsa calculation on part of the molecule Ray Luo (Wed May 19 2004 - 15:31:50 CDT)
AMBER: PF6- force field parameters Jiten (Thu May 20 2004 - 19:32:29 CDT)
Re: AMBER: Amber8 on Tru64 UNIX on Alpha systems Jiten (Thu May 20 2004 - 19:49:42 CDT)
RE: AMBER: pbsa calculation on part of the molecule & nmode analysis S. Frank Yan (Thu May 20 2004 - 20:06:11 CDT)
Re: AMBER: Amber8 on Tru64 UNIX on Alpha systems David A. Case (Thu May 20 2004 - 20:33:14 CDT)
Re: AMBER: pbsa calculation on part of the molecule & nmode analysis David A. Case (Thu May 20 2004 - 20:40:10 CDT)
Re: AMBER: Amber8 on Tru64 UNIX on Alpha systems James W. Caldwell (Thu May 20 2004 - 22:02:01 CDT)
AMBER: Problem compiling amber7 Miguel (Fri May 21 2004 - 04:15:10 CDT)
Re: AMBER: Problem compiling amber7 David A. Case (Fri May 21 2004 - 10:23:09 CDT)
AMBER: NHE problem Ryan Ye (Sat May 22 2004 - 00:36:44 CDT)
AMBER: a question about Van der waals radius Xiao He (Sat May 22 2004 - 07:07:05 CDT)
Re: AMBER: a question about Van der waals radius Jiri Sponer (Sat May 22 2004 - 07:41:12 CDT)
Re: Re: AMBER: a question about Van der waals radius Xiao He (Sat May 22 2004 - 08:55:05 CDT)
Re: Re: AMBER: a question about Van der waals radius Jiri Sponer (Sat May 22 2004 - 09:09:46 CDT)
Re: Re: Re: AMBER: a question about Van der waals radius Xiao He (Sat May 22 2004 - 09:29:56 CDT)
Re: Re: Re: AMBER: a question about Van der waals radius Jiri Sponer (Sat May 22 2004 - 09:42:27 CDT)
Re: Re: Re: Re: AMBER: a question about Van der waals radius Xiao He (Sat May 22 2004 - 10:01:28 CDT)
Re: AMBER: NHE problem David A. Case (Sat May 22 2004 - 18:55:52 CDT)
Re: AMBER: NHE problem Mengjuei Hsieh (Sat May 22 2004 - 19:30:07 CDT)
AMBER: parallel installation problem Oliver Hucke (Sat May 22 2004 - 19:40:17 CDT)
Re: AMBER: IGR1/grnam1 problem David A. Case (Sat May 22 2004 - 23:03:16 CDT)
Re: AMBER: NHE problem Ryan Ye (Sun May 23 2004 - 10:19:56 CDT)
Re: AMBER: NHE problem David A. Case (Sun May 23 2004 - 11:14:34 CDT)
AMBER: h bond Ye Mei (Mon May 24 2004 - 01:27:37 CDT)
Re: Re: Re: Re: Re: AMBER: a question about Van der waals radius Ye Mei (Mon May 24 2004 - 01:54:30 CDT)
AMBER: performance of amber7/xlf/macosX 10.3 with JAC on xserve g5@2.0GHz Tru Huynh (Mon May 24 2004 - 02:45:39 CDT)
Re: AMBER: parallel installation problem Viktor Hornak (Mon May 24 2004 - 09:38:50 CDT)
Re: AMBER: Problem compiling amber7 Viktor Hornak (Mon May 24 2004 - 10:19:04 CDT)
Re: AMBER: performance of amber7/xlf/macosX 10.3 with JAC on xserve g5@2.0GHz David A. Case (Mon May 24 2004 - 10:37:29 CDT)
Re: AMBER: performance of amber7/xlf/macosX 10.3 with JAC on xserve g5@2.0GHz Mengjuei Hsieh (Mon May 24 2004 - 14:12:39 CDT)
Re: AMBER: segmentation fault when running parmchk Chutintorn Punwong (Mon May 24 2004 - 17:34:11 CDT)
Re: AMBER: parallel installation problem Oliver Hucke (Mon May 24 2004 - 18:57:01 CDT)
AMBER: Free energies using Sander in Amber8 Jiten (Mon May 24 2004 - 21:52:52 CDT)
Re: AMBER: Amber8 on Tru64 UNIX on Alpha systems Jiten (Mon May 24 2004 - 22:54:40 CDT)
Re: AMBER: Free energies using Sander in Amber8 David A. Case (Mon May 24 2004 - 23:36:22 CDT)
Re: AMBER: segmentation fault when running parmchk David A. Case (Mon May 24 2004 - 23:41:14 CDT)
AMBER: IOUTFM and binary/unformatted files error Martin Mucha (Tue May 25 2004 - 02:18:44 CDT)
Re: AMBER: Problem compiling amber7 Miguel (Tue May 25 2004 - 04:54:55 CDT)
Re: AMBER: Problem compiling amber7 scopio (Tue May 25 2004 - 07:15:28 CDT)
Re: AMBER: Problem compiling amber7 Andreas Svrcek-Seiler (Tue May 25 2004 - 07:21:40 CDT)
Re: AMBER: Problem compiling amber7 Viktor Hornak (Tue May 25 2004 - 07:20:40 CDT)
Re: AMBER: Problem compiling amber7 Joachim Reichelt (Tue May 25 2004 - 07:27:59 CDT)
Re: AMBER: amber7, namelist, xlf and osx Knut Langsetmo (Tue May 25 2004 - 08:17:26 CDT)
AMBER: Installation AMber 8: "cannot find -lU77" A. Hungie (Tue May 25 2004 - 08:21:09 CDT)
Re: AMBER: performance of amber7/xlf/macosX 10.3 with JAC on xserve g5@2.0GHz Tru Huynh (Tue May 25 2004 - 09:31:34 CDT)
AMBER: mm_pbsa energy decomposition error Fang, Jianwen (Tue May 25 2004 - 09:40:32 CDT)
Re: AMBER: mm_pbsa energy decomposition error David A. Case (Tue May 25 2004 - 10:20:13 CDT)
AMBER: Compiling AMBER MPI program using GCC/G77 compiler and MPICH on AMD OPTERON 64 Ming Lei (Tue May 25 2004 - 10:27:49 CDT)
AMBER: Scaling nb between groups Marcin Krol (Tue May 25 2004 - 10:34:00 CDT)
Re: AMBER: IOUTFM and binary/unformatted files error David A. Case (Tue May 25 2004 - 10:01:28 CDT)
AMBER: ptraj Holly Freedman (Tue May 25 2004 - 11:16:42 CDT)
RE: AMBER: ptraj Ross Walker (Tue May 25 2004 - 12:35:39 CDT)
AMBER: Bug in babel conversion (while following the RED manual in pp.15) Ilyas Yildirim (Tue May 25 2004 - 13:00:39 CDT)
Re: AMBER: Bug in babel conversion FyD (Tue May 25 2004 - 13:14:55 CDT)
Re: AMBER: Compiling AMBER MPI program using GCC/G77 compiler and MPICH on AMD OPTERON 64 Scott Brozell (Tue May 25 2004 - 14:24:23 CDT)
AMBER: A problem for compiling amber8 parallel version Chen Yongzhi (Tue May 25 2004 - 15:58:37 CDT)
AMBER: Surface E&S Potential Mapping Ilyas Yildirim (Tue May 25 2004 - 16:14:45 CDT)
AMBER: protein is out of the water box Feng, Hanqiao (NIH/NCI) (Tue May 25 2004 - 17:35:01 CDT)
AMBER: Cannot read in sander bybaker_at_itsa.ucsf.edu (Tue May 25 2004 - 17:51:48 CDT)
Re: AMBER: ptraj scopio (Tue May 25 2004 - 18:49:47 CDT)
Re: AMBER: Compiling AMBER MPI program using GCC/G77 compiler andMPICH on AMD OPTERON 64 Jyh-Shyong Ho (Tue May 25 2004 - 19:07:34 CDT)
Re: AMBER: ptraj Holly Freedman (Tue May 25 2004 - 19:45:24 CDT)
Re: AMBER: Cannot read in sander David A. Case (Wed May 26 2004 - 11:14:52 CDT)
Re: AMBER: protein is out of the water box David A. Case (Wed May 26 2004 - 11:17:00 CDT)
AMBER: Amber 8 compilation A. Hungie (Wed May 26 2004 - 11:23:07 CDT)
Re: AMBER: Scaling nb between groups David A. Case (Tue May 25 2004 - 15:52:30 CDT)
Re: AMBER: A problem for compiling amber8 parallel version David A. Case (Wed May 26 2004 - 12:08:43 CDT)
Re: AMBER: Amber 8 compilation Viktor Hornak (Wed May 26 2004 - 12:08:08 CDT)
AMBER: types of water atom Gustavo Pierdominici Sottile (Wed May 26 2004 - 12:06:16 CDT)
Re: AMBER: types of water atom Piotr Cieplak (Wed May 26 2004 - 12:28:17 CDT)
Re: AMBER: ptraj Holly Freedman (Wed May 26 2004 - 12:30:07 CDT)
AMBER: amber 8 under windows XP Adrian E. Roitberg (Wed May 26 2004 - 13:50:02 CDT)
RE: AMBER: amber 8 under windows XP Ross Walker (Wed May 26 2004 - 14:03:54 CDT)
Re: AMBER: amber 8 under windows XP David A. Case (Wed May 26 2004 - 15:07:05 CDT)
Re: AMBER: amber 8 under windows XP Piotr Cieplak (Wed May 26 2004 - 17:08:38 CDT)
Re: AMBER: Cannot read in sander bybaker_at_itsa.ucsf.edu (Wed May 26 2004 - 19:47:30 CDT)
RE: AMBER: Cannot read in sander Ross Walker (Wed May 26 2004 - 20:08:48 CDT)
AMBER: xleap solvatebox problem Tomas Kubar (Thu May 27 2004 - 07:33:44 CDT)
AMBER: antechamber: atomtype assignment of cc/cd etc pairs in GAFF / creating atom type definition file Kamp, Marc vander (Thu May 27 2004 - 08:01:13 CDT)
Re: AMBER: amber 8 under windows XP Adrian E. Roitberg (Thu May 27 2004 - 08:09:51 CDT)
Re: AMBER: Cannot read in sander David A. Case (Thu May 27 2004 - 10:11:03 CDT)
Re: AMBER: amber 8 under windows XP David A. Case (Thu May 27 2004 - 10:34:50 CDT)
Re: AMBER: xleap solvatebox problem David A. Case (Thu May 27 2004 - 10:42:48 CDT)
AMBER: pdb in RED Gustavo Pierdominici Sottile (Thu May 27 2004 - 12:29:44 CDT)
Re: AMBER: segmentation fault when running parmchk Chutintorn Punwong (Thu May 27 2004 - 13:01:16 CDT)
Re: AMBER: segmentation fault when running parmchk David A. Case (Thu May 27 2004 - 13:24:27 CDT)
Re: AMBER: segmentation fault when running parmchk Chutintorn Punwong (Thu May 27 2004 - 13:37:09 CDT)
Re: AMBER: pdb in RED FyD (Thu May 27 2004 - 14:16:59 CDT)
AMBER: Amber 7 (sander) use of PME Linda Prengaman (Thu May 27 2004 - 14:42:13 CDT)
Re: AMBER: types of water atom Gustavo Pierdominici Sottile (Thu May 27 2004 - 14:28:27 CDT)
Re: AMBER: Amber 7 (sander) use of PME Carlos Simmerling (Thu May 27 2004 - 14:47:50 CDT)
Re: AMBER: types of water atom David A. Case (Thu May 27 2004 - 15:34:59 CDT)
Re: AMBER: Cannot read in sander bybaker_at_itsa.ucsf.edu (Thu May 27 2004 - 15:56:12 CDT)
AMBER: fit a 3D line to points myang (Thu May 27 2004 - 16:11:08 CDT)
Re: AMBER: Cannot read in sander-again bybaker_at_itsa.ucsf.edu (Thu May 27 2004 - 16:22:00 CDT)
Re: AMBER: Cannot read in sander-again Bill Ross (Thu May 27 2004 - 16:28:27 CDT)
Re: AMBER: Cannot read in sander-again Guanglei Cui (Thu May 27 2004 - 16:28:39 CDT)
Re: AMBER: Cannot read in sander-again bybaker_at_itsa.ucsf.edu (Thu May 27 2004 - 17:05:22 CDT)
Re: AMBER: Cannot read in sander-again Bill Ross (Thu May 27 2004 - 17:16:56 CDT)
RE: AMBER: Cannot read in sander Ross Walker (Thu May 27 2004 - 17:36:10 CDT)
Re: AMBER: Cannot read in sander-again David A. Case (Thu May 27 2004 - 18:15:37 CDT)
Re: AMBER: segmentation fault when running parmchk David A. Case (Thu May 27 2004 - 18:47:49 CDT)
AMBER: Re: CCL:Helical parameters extraction from trajectory Peter Gannett (Fri May 28 2004 - 06:47:08 CDT)
AMBER: problems with mpich Amber admin (Fri May 28 2004 - 09:55:25 CDT)
Re: AMBER: problems with mpich David A. Case (Fri May 28 2004 - 11:52:56 CDT)
Re: AMBER: problems with mpich Chen Yongzhi (Fri May 28 2004 - 13:23:48 CDT)
Re: AMBER: types of water atom Gustavo Pierdominici Sottile (Fri May 28 2004 - 13:25:45 CDT)
Re: AMBER: problems with mpich David A. Case (Fri May 28 2004 - 13:43:23 CDT)
AMBER: amber on AMD 64 xhu1_at_memphis.edu (Fri May 28 2004 - 13:56:02 CDT)
AMBER: Use of RED Gustavo Pierdominici Sottile (Fri May 28 2004 - 13:44:26 CDT)
Re: AMBER: problems with mpich Viktor Hornak (Fri May 28 2004 - 14:00:15 CDT)
Re: AMBER: segmentation fault when running parmchk Chutintorn Punwong (Fri May 28 2004 - 15:08:56 CDT)
Re: AMBER: Use of RED FyD (Fri May 28 2004 - 15:20:42 CDT)
Re: AMBER: antechamber: atomtype assignment of cc/cd etc pairs in GAFF / creating atom type definition file David A. Case (Fri May 28 2004 - 16:34:45 CDT)
AMBER: torsion angles John (Fri May 28 2004 - 18:02:04 CDT)
AMBER: Sander went through bybaker_at_itsa.ucsf.edu (Fri May 28 2004 - 19:19:02 CDT)
Re: AMBER: Sander went through Rhonda Torres (Fri May 28 2004 - 19:49:44 CDT)
AMBER: about amber8, replica exchange J. Zhang, Dr (Fri May 28 2004 - 22:45:49 CDT)
Re: AMBER: about amber8, replica exchange Guanglei Cui (Fri May 28 2004 - 23:04:33 CDT)
Re: AMBER: Sander went through bybaker_at_itsa.ucsf.edu (Sat May 29 2004 - 06:51:26 CDT)
Re: AMBER: about amber8, replica exchange Carlos Simmerling (Fri May 28 2004 - 22:55:34 CDT)
AMBER: Low frequency in quasi-harmonic analysis!! Pradipta Bandyopadhyay (Sun May 30 2004 - 04:23:50 CDT)
AMBER: MMPBSA problem Dalmaris, John (Sun May 30 2004 - 08:22:55 CDT)
AMBER: question about NMODE for RNA xhu1_at_memphis.edu (Sun May 30 2004 - 17:32:22 CDT)
Re: AMBER: question about NMODE for RNA David A. Case (Sun May 30 2004 - 18:14:33 CDT)
Re: Re: AMBER: about amber8, replica exchange J. Zhang, Dr (Sun May 30 2004 - 19:09:24 CDT)
Re: AMBER: question about NMODE for RNA xhu1_at_memphis.edu (Sun May 30 2004 - 20:53:58 CDT)
AMBER: program compatibility hj zou (Sun May 30 2004 - 21:07:39 CDT)
Re: AMBER: program compatibility David A. Case (Mon May 31 2004 - 00:05:15 CDT)
AMBER: FEP error/early termination - why? Annette Höglund (Mon May 31 2004 - 08:23:27 CDT)
Re: AMBER: FEP error/early termination - why? David A. Case (Mon May 31 2004 - 12:33:08 CDT)
Re: AMBER: FEP error/early termination - why? Sébastien Osborne (Mon May 31 2004 - 12:51:15 CDT)
Re: AMBER: FEP error/early termination - why? Carlos Simmerling (Mon May 31 2004 - 12:56:24 CDT)
Re: AMBER: FEP error/early termination - why? Sébastien Osborne (Mon May 31 2004 - 13:12:54 CDT)
Re: AMBER: FEP error/early termination - why? Carlos Simmerling (Mon May 31 2004 - 13:21:41 CDT)
AMBER: Install Amber8 under cygwin Seonah Kim (Mon May 31 2004 - 20:35:16 CDT)
AMBER: Software to visualize normal modes! Pradipta Bandyopadhyay (Mon May 31 2004 - 23:42:39 CDT)
Re: AMBER: Install Amber8 under cygwin Scott Brozell (Tue Jun 01 2004 - 02:22:14 CDT)
AMBER: Periodic boundary simulation Soon (Tue Jun 01 2004 - 04:08:31 CDT)
AMBER: Free energy in Amber8 Jiten (Tue Jun 01 2004 - 05:11:54 CDT)
Re: AMBER: Periodic boundary simulation Jiten (Tue Jun 01 2004 - 05:14:59 CDT)
Re: AMBER: Free energy in Amber8 Miguel (Tue Jun 01 2004 - 06:11:39 CDT)
Re: AMBER: Periodic boundary simulation Miguel (Tue Jun 01 2004 - 06:14:34 CDT)
Re: AMBER: Periodic boundary simulation darden (Tue Jun 01 2004 - 08:11:54 CDT)
Re: AMBER: FEP error/early termination - why? Annette Höglund (Tue Jun 01 2004 - 09:34:53 CDT)
AMBER: Heme parameters Gustavo Pierdominici Sottile (Tue Jun 01 2004 - 10:32:06 CDT)
AMBER: Amber force field for protein-DNA system jz7_at_duke.edu (Tue Jun 01 2004 - 11:14:16 CDT)
Re: AMBER: Amber force field for protein-DNA system Rhonda Torres (Tue Jun 01 2004 - 12:24:57 CDT)
AMBER: sander8 performance Oliver Hucke (Tue Jun 01 2004 - 12:53:46 CDT)
RE: AMBER: Amber force field for protein-DNA system Ross Walker (Tue Jun 01 2004 - 13:09:37 CDT)
AMBER: Amber7: pdb format file vidit kumar (Tue Jun 01 2004 - 13:13:03 CDT)
Re: AMBER: Amber7: pdb format file Peter Gannett (Tue Jun 01 2004 - 13:22:32 CDT)
RE: AMBER: Amber force field for protein-DNA system Bill Ross (Tue Jun 01 2004 - 13:32:52 CDT)
AMBER: sander of AMBER 8 doesn't work Feng, Hanqiao (NIH/NCI) (Tue Jun 01 2004 - 13:39:56 CDT)
Re: AMBER: Amber force field for protein-DNA system David A. Case (Tue Jun 01 2004 - 13:40:15 CDT)
RE: AMBER: Amber7: pdb format file Ross Walker (Tue Jun 01 2004 - 13:49:31 CDT)
RE: AMBER: sander of AMBER 8 doesn't work Ross Walker (Tue Jun 01 2004 - 13:56:29 CDT)
Re: AMBER: Free energy in Amber8 David A. Case (Tue Jun 01 2004 - 14:17:34 CDT)
Re: AMBER: Heme parameters David A. Case (Tue Jun 01 2004 - 14:20:56 CDT)
Re: AMBER: sander8 performance David A. Case (Tue Jun 01 2004 - 14:22:29 CDT)
Re: AMBER: Amber7: pdb format file David A. Case (Tue Jun 01 2004 - 14:23:47 CDT)
Re: AMBER: sander8 performance Oliver Hucke (Tue Jun 01 2004 - 14:46:06 CDT)
AMBER: Amber force field for protein-DNA system (again) jz7_at_duke.edu (Tue Jun 01 2004 - 14:51:59 CDT)
Re: AMBER: sander8 performance David A. Case (Tue Jun 01 2004 - 15:15:50 CDT)
AMBER: RED Xin Hu (Tue Jun 01 2004 - 18:02:37 CDT)
Re: AMBER: Software to visualize normal modes! John Mongan (Tue Jun 01 2004 - 18:20:38 CDT)
Re: [pradipta_b@mail.jnu.ac.in: AMBER: Software to visualize normal modes!] David A. Case (Tue Jun 01 2004 - 18:24:54 CDT)
Re: AMBER: Free energy in Amber8 Jiten (Tue Jun 01 2004 - 20:02:40 CDT)
AMBER: Add Hydrogen bond through xLeap? Nan Lin (Wed Jun 02 2004 - 01:25:18 CDT)
AMBER: question about replica exchange in amber8 J. Zhang, Dr (Wed Jun 02 2004 - 04:24:24 CDT)
Re: AMBER: question about replica exchange in amber8 apw397_at_soton.ac.uk (Wed Jun 02 2004 - 04:43:21 CDT)
RE: AMBER: sander of AMBER 8 doesn't work Feng, Hanqiao (NIH/NCI) (Wed Jun 02 2004 - 07:45:01 CDT)
Re: AMBER: question about replica exchange in amber8 Guanglei Cui (Wed Jun 02 2004 - 08:58:32 CDT)
Re: AMBER: Add Hydrogen bond through xLeap? Guanglei Cui (Wed Jun 02 2004 - 09:06:47 CDT)
Re: AMBER: question about replica exchange in amber8 xiaolin cheng (Wed Jun 02 2004 - 09:23:30 CDT)
Re: AMBER: Free energy in Amber8 David A. Case (Wed Jun 02 2004 - 09:35:24 CDT)
Re: AMBER: sander of AMBER 8 doesn't work David A. Case (Wed Jun 02 2004 - 09:47:20 CDT)
AMBER: Gaussian Interface ? Jiten (Wed Jun 02 2004 - 10:06:12 CDT)
AMBER: mm_pbsa test problem Difei Wang (Wed Jun 02 2004 - 10:54:40 CDT)
AMBER: Amber force field for protein-DNA system (again) jz7_at_duke.edu (Wed Jun 02 2004 - 12:31:56 CDT)
Re: AMBER: segmentation fault when running parmchk Chutintorn Punwong (Wed Jun 02 2004 - 12:57:06 CDT)
Re: AMBER: segmentation fault when running parmchk David A. Case (Wed Jun 02 2004 - 13:41:56 CDT)
Re: AMBER: segmentation fault when running parmchk Chutintorn Punwong (Wed Jun 02 2004 - 14:11:22 CDT)
AMBER: Re: AMBER vidit kumar (Wed Jun 02 2004 - 20:19:08 CDT)
Re: AMBER: Re: AMBER Jiten (Wed Jun 02 2004 - 20:48:37 CDT)
Re: AMBER: question about replica exchange in amber8 J. Zhang, Dr (Wed Jun 02 2004 - 21:16:19 CDT)
AMBER: confusion about epsilon=4r for nmode calclation of nucleic acid xiaowei li (Wed Jun 02 2004 - 22:15:29 CDT)
AMBER: simulated anealling anshul_at_imtech.res.in (Thu Jun 03 2004 - 09:12:55 CDT)
Re: AMBER: simulated anealling Jiten (Wed Jun 02 2004 - 23:02:00 CDT)
AMBER: Simulated anealling anshul_at_imtech.res.in (Thu Jun 03 2004 - 09:30:42 CDT)
AMBER: About DelPhi and GRASP Ilyas Yildirim (Wed Jun 02 2004 - 23:10:07 CDT)
Re: AMBER: simulated anealling anshul_at_imtech.res.in (Thu Jun 03 2004 - 11:56:58 CDT)
AMBER: parallel Sander (amber8): run-time error under Irix Karol Miaskiewicz (Thu Jun 03 2004 - 09:42:25 CDT)
AMBER: amber8 compile on Lemieux Guanglei Cui (Thu Jun 03 2004 - 10:06:21 CDT)
Re: AMBER: parallel Sander (amber8): run-time error under Irix Carlos Simmerling (Thu Jun 03 2004 - 10:03:43 CDT)
Re: AMBER: parallel Sander (amber8): run-time error under Irix Karol Miaskiewicz (Thu Jun 03 2004 - 10:29:06 CDT)
AMBER: MMPBSA problem John (Thu Jun 03 2004 - 11:09:05 CDT)
AMBER: Loading mol2 Files in XLEaP Robyn Ayscue (Thu Jun 03 2004 - 11:14:00 CDT)
AMBER: Loading mol2 files in XLEaP Robyn Ayscue (Thu Jun 03 2004 - 11:17:54 CDT)
Re: AMBER: Loading mol2 Files in XLEaP FyD (Thu Jun 03 2004 - 11:26:38 CDT)
AMBER: Sander & fix atoms bybaker_at_itsa.ucsf.edu (Thu Jun 03 2004 - 11:48:40 CDT)
AMBER: mm_pbsa.pl question Fang, Jianwen (Thu Jun 03 2004 - 12:14:29 CDT)
AMBER: question about xleap jz7_at_duke.edu (Thu Jun 03 2004 - 12:19:27 CDT)
Re: AMBER: Sander & fix atoms Viktor Hornak (Thu Jun 03 2004 - 12:22:55 CDT)
Re: AMBER: question about xleap Viktor Hornak (Thu Jun 03 2004 - 12:31:23 CDT)
RE: AMBER: question about xleap Ross Walker (Thu Jun 03 2004 - 13:03:04 CDT)
Re: AMBER: simulated anealling Rhonda Torres (Thu Jun 03 2004 - 13:05:58 CDT)
AMBER: sander7 on quad opteron Tru Huynh (Thu Jun 03 2004 - 13:13:39 CDT)
Re: AMBER: question about xleap jz7_at_duke.edu (Thu Jun 03 2004 - 13:34:03 CDT)
Re: AMBER: Loading mol2 Files in XLEaP Robyn Ayscue (Thu Jun 03 2004 - 13:39:37 CDT)
Re: AMBER: parallel Sander (amber8): run-time error under Irix Viktor Hornak (Thu Jun 03 2004 - 14:01:40 CDT)
Re: AMBER: parallel Sander (amber8): run-time error under Irix Karol Miaskiewicz (Thu Jun 03 2004 - 14:15:05 CDT)
Re: AMBER: Loading mol2 Files in XLEaP FyD (Thu Jun 03 2004 - 14:18:26 CDT)
RE: AMBER: question about xleap Ross Walker (Thu Jun 03 2004 - 14:19:55 CDT)
Re: AMBER: Loading mol2 Files in XLEaP Guanglei Cui (Thu Jun 03 2004 - 14:20:26 CDT)
RE: AMBER: question about xleap jz7_at_duke.edu (Thu Jun 03 2004 - 14:40:10 CDT)
AMBER: Amber7: Vidit Kumar (Thu Jun 03 2004 - 14:55:21 CDT)
Re: AMBER: Amber7: FyD (Thu Jun 03 2004 - 15:11:28 CDT)
AMBER: CARNAL- movement of an axis Wen Li (Thu Jun 03 2004 - 15:34:11 CDT)
Re: AMBER: Loading mol2 Files in XLEaP Bill Ross (Thu Jun 03 2004 - 15:44:39 CDT)
Re: AMBER: CARNAL- movement of an axis Bill Ross (Thu Jun 03 2004 - 15:53:47 CDT)
Re: AMBER: Sander & fix atoms bybaker_at_itsa.ucsf.edu (Thu Jun 03 2004 - 15:54:55 CDT)
Re: AMBER: Sander & fix atoms bybaker_at_itsa.ucsf.edu (Thu Jun 03 2004 - 15:59:50 CDT)
Re: AMBER: Sander & fix atoms Bill Ross (Thu Jun 03 2004 - 16:06:04 CDT)
Re: AMBER: Sander & fix atoms Viktor Hornak (Thu Jun 03 2004 - 16:14:10 CDT)
Re: AMBER: Loading mol2 Files in XLEaP Scott Brozell (Thu Jun 03 2004 - 16:49:13 CDT)
Re: AMBER: Loading mol2 Files in XLEaP David A. Case (Thu Jun 03 2004 - 17:02:07 CDT)
Re: AMBER: Sander & fix atoms bybaker_at_itsa.ucsf.edu (Thu Jun 03 2004 - 17:32:53 CDT)
Re: AMBER: Sander & fix atoms bybaker_at_itsa.ucsf.edu (Thu Jun 03 2004 - 17:36:24 CDT)
Re: AMBER: confusion about epsilon=4r for nmode calclation of nucleic acid David A. Case (Thu Jun 03 2004 - 21:31:06 CDT)
Re: AMBER: Simulated anealling David A. Case (Thu Jun 03 2004 - 21:34:17 CDT)
Re: AMBER: amber8 compile on Lemieux David A. Case (Thu Jun 03 2004 - 21:39:58 CDT)
Re: AMBER: confusion about epsilon=4r for nmode calclation of nucleic acid xiaowei li (Thu Jun 03 2004 - 21:52:16 CDT)
AMBER: information PROTON_INFO Ye Mei (Thu Jun 03 2004 - 22:33:30 CDT)
Re: AMBER: amber8 compile on Lemieux Guanglei Cui (Thu Jun 03 2004 - 22:56:13 CDT)
AMBER: why the enegy of native state of protein is high in GBSA calculation? J. Zhang, Dr (Fri Jun 04 2004 - 04:21:20 CDT)
Re: AMBER: Simulated anealling anshul_at_imtech.res.in (Fri Jun 04 2004 - 15:56:50 CDT)
Re: AMBER: why the enegy of native state of protein is high in GBSA calculation? Carlos Simmerling (Fri Jun 04 2004 - 06:52:40 CDT)
Re: AMBER: why the enegy of native state of protein is high in GBSA calculation? David A. Case (Fri Jun 04 2004 - 08:00:47 CDT)
Re: AMBER: why the enegy of native state of protein is high in GBSA calculation? Andreas Svrcek-Seiler (Fri Jun 04 2004 - 10:15:03 CDT)
AMBER: gibbs in amber8 A. Hungie (Fri Jun 04 2004 - 12:13:12 CDT)
AMBER: free energy A. Hungie (Fri Jun 04 2004 - 12:21:59 CDT)
Re: AMBER: Loading mol2 Files in XLEaP Robyn Ayscue (Fri Jun 04 2004 - 13:24:05 CDT)
Re: AMBER: free energy Oliver Hucke (Fri Jun 04 2004 - 14:19:25 CDT)
Re: Re: AMBER: why the enegy of native state of protein is high in GBSA calculation? J. Zhang, Dr (Sat Jun 05 2004 - 20:25:20 CDT)
Re: AMBER: gibbs in amber8 David A. Case (Sat Jun 05 2004 - 22:33:37 CDT)
AMBER: water BOX Xioling Chuang (Mon Jun 07 2004 - 09:09:33 CDT)
AMBER: CARNAL RMS Wen Li (Mon Jun 07 2004 - 10:25:28 CDT)
AMBER: question about building initial structure xhu1_at_memphis.edu (Mon Jun 07 2004 - 12:19:13 CDT)
AMBER: paramitrization problem lei jia (Mon Jun 07 2004 - 17:12:37 CDT)
RE: AMBER: paramitrization problem Ross Walker (Mon Jun 07 2004 - 17:24:15 CDT)
AMBER: bug in leap? Carsten Detering (Mon Jun 07 2004 - 18:14:30 CDT)
RE: AMBER: bug in leap? Ross Walker (Mon Jun 07 2004 - 18:50:10 CDT)
AMBER: unnatural base - RESP charges in ANTECHAMBER Dr. Rainer Glaser (Mon Jun 07 2004 - 19:12:56 CDT)
AMBER: Bad contacts bybaker_at_itsa.ucsf.edu (Mon Jun 07 2004 - 19:44:37 CDT)
Re: AMBER: unnatural base - RESP charges in ANTECHAMBER Junmei Wang (Mon Jun 07 2004 - 20:22:31 CDT)
Re: AMBER: Bad contacts Carlos Simmerling (Mon Jun 07 2004 - 20:26:19 CDT)
Re: AMBER: Bad contacts Bill Ross (Mon Jun 07 2004 - 20:37:16 CDT)
AMBER: Constant Pressure Problem of MD Nan Lin (Mon Jun 07 2004 - 21:04:23 CDT)
Re: AMBER: Constant Pressure Problem of MD David A. Case (Mon Jun 07 2004 - 21:12:41 CDT)
AMBER: Partial Charge on ligand for MD & MM/PBSA Nan Lin (Mon Jun 07 2004 - 21:11:25 CDT)
AMBER: old trajectory file (amber6) to new trajectory file ? Difei Wang (Mon Jun 07 2004 - 21:55:39 CDT)
Re: AMBER: Constant Pressure Problem of MD SIVA (Mon Jun 07 2004 - 22:53:39 CDT)
Re: AMBER: bug in leap? Tomas Kubar (Tue Jun 08 2004 - 02:27:30 CDT)
Re: AMBER: old trajectory file (amber6) to new trajectory file ? Carlos Simmerling (Tue Jun 08 2004 - 06:37:48 CDT)
AMBER: Calcium and GB cailliez (Tue Jun 08 2004 - 06:38:58 CDT)
RE: AMBER: paramitrization problem lei jia (Tue Jun 08 2004 - 10:00:11 CDT)
AMBER: Compile xleap (amber8) in linux Red Hat 8.0 Xiaobing Tian (Tue Jun 08 2004 - 11:00:06 CDT)
Re: AMBER: unnatural base - RESP charges in ANTECHAMBER FyD (Tue Jun 08 2004 - 11:23:46 CDT)
RE: AMBER: paramitrization problem Ross Walker (Tue Jun 08 2004 - 12:31:10 CDT)
Re: AMBER: Compile xleap (amber8) in linux Red Hat 8.0 Viktor Hornak (Tue Jun 08 2004 - 12:35:51 CDT)
Re: AMBER: paramitrization problem lei jia (Tue Jun 08 2004 - 12:45:02 CDT)
Re: AMBER: Compile xleap (amber8) in linux Red Hat 8.0 Scott Brozell (Tue Jun 08 2004 - 12:53:34 CDT)
Re: AMBER: segmentation fault when running parmchk Chutintorn Punwong (Tue Jun 08 2004 - 13:07:45 CDT)
Re: AMBER: Compile xleap (amber8) in linux Red Hat 8.0 Scott Brozell (Tue Jun 08 2004 - 13:11:15 CDT)
Re: AMBER: Compile xleap (amber8) in linux Red Hat 8.0 Xiaobing Tian (Tue Jun 08 2004 - 13:33:43 CDT)
Re: AMBER: segmentation fault when running parmchk Bill Ross (Tue Jun 08 2004 - 13:16:35 CDT)
Re: AMBER: Compile xleap (amber8) in linux Red Hat 8.0 Guanglei Cui (Tue Jun 08 2004 - 13:30:05 CDT)
Re: AMBER: Compile xleap (amber8) in linux Red Hat 8.0 Viktor Hornak (Tue Jun 08 2004 - 13:29:29 CDT)
Re: AMBER: Compile xleap (amber8) in linux Red Hat 8.0 Xiaobing Tian (Tue Jun 08 2004 - 14:21:39 CDT)
Re: AMBER: Compile xleap (amber8) in linux Red Hat 8.0 Viktor Hornak (Tue Jun 08 2004 - 14:30:38 CDT)
Re: AMBER: Compile xleap (amber8) in linux Red Hat 8.0 Guanglei Cui (Tue Jun 08 2004 - 14:45:56 CDT)
AMBER: Re: parallel Sander (amber8): run-time error under Irix Karol Miaskiewicz (Tue Jun 08 2004 - 15:04:14 CDT)
AMBER: Re: parallel Sander (amber8): run-time error under Irix Karol Miaskiewicz (Tue Jun 08 2004 - 15:30:38 CDT)
Re: AMBER: Simulated anealling anshul_at_imtech.res.in (Wed Jun 09 2004 - 09:41:56 CDT)
AMBER: antechamber Matheus Froeyen (Wed Jun 09 2004 - 02:39:26 CDT)
AMBER: cluster analysis Stefano.Pieraccini_at_unimi.it (Wed Jun 09 2004 - 06:19:40 CDT)
Re: AMBER: antechamber Guanglei Cui (Wed Jun 09 2004 - 09:05:02 CDT)
AMBER: How to neutralize system? scopio (Wed Jun 09 2004 - 09:47:44 CDT)
Re: AMBER: How to neutralize system? Marcin Krol (Wed Jun 09 2004 - 09:57:11 CDT)
Re: AMBER: How to neutralize system? Guanglei Cui (Wed Jun 09 2004 - 09:58:37 CDT)
Re: AMBER: cluster analysis Tim Meyer (Wed Jun 09 2004 - 08:28:15 CDT)
Re: AMBER: Bad contacts bybaker_at_itsa.ucsf.edu (Wed Jun 09 2004 - 12:02:01 CDT)
Re: AMBER: Bad contacts Carlos Simmerling (Wed Jun 09 2004 - 13:56:09 CDT)
AMBER: Amber Transition State Output Johnson Agbo (Wed Jun 09 2004 - 14:46:03 CDT)
AMBER: Trajectory file Joseph Nachman (Wed Jun 09 2004 - 14:22:45 CDT)
Re: AMBER: Trajectory file Guanglei Cui (Wed Jun 09 2004 - 15:27:16 CDT)
Re: AMBER: Bad contacts bybaker_at_itsa.ucsf.edu (Wed Jun 09 2004 - 15:30:38 CDT)
Re: AMBER: Trajectory file Bill Ross (Wed Jun 09 2004 - 16:19:36 CDT)
AMBER: xleap solvatebox problem Shan, Jufang (Wed Jun 09 2004 - 17:17:59 CDT)
AMBER: antechamber/parmchk ATTN: needs revision Nan Lin (Wed Jun 09 2004 - 13:48:55 CDT)
RE: AMBER: xleap solvatebox problem Ross Walker (Wed Jun 09 2004 - 17:48:12 CDT)
Re: AMBER: xleap solvatebox problem David A. Case (Wed Jun 09 2004 - 17:51:06 CDT)
Re: AMBER: xleap solvatebox problem James W. Caldwell (Wed Jun 09 2004 - 17:49:07 CDT)
Re: AMBER: Amber Transition State Output David A. Case (Wed Jun 09 2004 - 17:55:14 CDT)
Re: AMBER: Amber Transition State Output Johnson Agbo (Wed Jun 09 2004 - 19:33:58 CDT)
AMBER: Amber & mutation bybaker_at_itsa.ucsf.edu (Wed Jun 09 2004 - 19:53:58 CDT)
AMBER: nmode with mm/pbsa Nan Lin (Wed Jun 09 2004 - 20:18:15 CDT)
Re: AMBER: Amber Transition State Output David A. Case (Wed Jun 09 2004 - 20:54:23 CDT)
Re: AMBER: Calcium and GB David A. Case (Wed Jun 09 2004 - 21:10:26 CDT)
Re: AMBER: old trajectory file (amber6) to new trajectory file ? David A. Case (Wed Jun 09 2004 - 21:16:26 CDT)
AMBER: LINMIN failure Mizuguchi Mineyuki (Wed Jun 09 2004 - 21:40:16 CDT)
Re: AMBER: Amber & mutation Tim Meyer (Thu Jun 10 2004 - 00:14:11 CDT)
AMBER: Xleap YangPeng (Thu Jun 10 2004 - 03:49:02 CDT)
Re: AMBER: xleap solvatebox problem Tomas Kubar (Thu Jun 10 2004 - 03:58:51 CDT)
Re: AMBER: cluster analysis Sue Heavner (Thu Jun 10 2004 - 05:40:56 CDT)
Re: AMBER: LINMIN failure Robyn Ayscue (Thu Jun 10 2004 - 06:52:07 CDT)
AMBER: Compiling Amber8 on Mac OS X Robyn Ayscue (Thu Jun 10 2004 - 07:25:40 CDT)
AMBER: parmcal problem scopio (Thu Jun 10 2004 - 09:46:11 CDT)
AMBER: xleap solvatebox problem Shan, Jufang (Thu Jun 10 2004 - 09:49:25 CDT)
Re: AMBER: Amber & mutation bybaker_at_itsa.ucsf.edu (Thu Jun 10 2004 - 11:24:24 CDT)
RE: AMBER: LINMIN failure Ross Walker (Thu Jun 10 2004 - 12:10:08 CDT)
AMBER: PARSE radius for P david.evans_at_ulsop.ac.uk (Thu Jun 10 2004 - 12:59:30 CDT)
Re: AMBER: nmode with mm/pbsa Rhonda Torres (Thu Jun 10 2004 - 13:33:40 CDT)
AMBER: cluster MD conformations from sander Wen Li (Thu Jun 10 2004 - 14:13:14 CDT)
Re: AMBER: Thank you Xiaobing Tian (Thu Jun 10 2004 - 14:37:37 CDT)
Re: AMBER: Xleap Scott Brozell (Thu Jun 10 2004 - 15:36:25 CDT)
Re: AMBER: LINMIN failure Linda Prengaman (Thu Jun 10 2004 - 16:41:46 CDT)
Re: AMBER: Compiling Amber8 on Mac OS X Mengjuei Hsieh (Thu Jun 10 2004 - 16:11:24 CDT)
Re: AMBER: parmcal problem scopio (Thu Jun 10 2004 - 19:21:30 CDT)
AMBER: Core Dump ERROR When Using TIP4P Dat H. Nguyen (Thu Jun 10 2004 - 20:12:06 CDT)
AMBER: Checking Results? Linda Prengaman (Thu Jun 10 2004 - 20:49:33 CDT)
Re: AMBER: LINMIN failure Mizuguchi Mineyuki (Thu Jun 10 2004 - 21:58:24 CDT)
Re: AMBER: bug in leap? Scott Brozell (Thu Jun 10 2004 - 23:32:24 CDT)
Re: AMBER: Amber Transition State Output Johnson Agbo (Fri Jun 11 2004 - 00:28:05 CDT)
RE: AMBER: LINMIN failure Ross Walker (Fri Jun 11 2004 - 01:10:23 CDT)
Re: AMBER: cluster MD conformations from sander aldo jongejan (Fri Jun 11 2004 - 03:22:40 CDT)
AMBER: ifort -parallel Joachim Reichelt (Fri Jun 11 2004 - 04:15:58 CDT)
Re: AMBER: Core Dump ERROR When Using TIP4P David A. Case (Fri Jun 11 2004 - 09:08:18 CDT)
Re: AMBER: segmentation fault when running parmchk David A. Case (Fri Jun 11 2004 - 10:00:13 CDT)
RE: AMBER: questions on mm_pbsa Fang, Jianwen (Fri Jun 11 2004 - 09:59:18 CDT)
AMBER: savepdb vs ambpdb Golebiowski Jerome (Fri Jun 11 2004 - 10:17:40 CDT)
Re: AMBER: ifort -parallel Scott Brozell (Fri Jun 11 2004 - 10:36:36 CDT)
AMBER: PBCAL in mm-pbsa calculation nlxc (Fri Jun 11 2004 - 12:26:21 CDT)
Re: AMBER: PBCAL in mm-pbsa calculation Thomas Steinbrecher (Fri Jun 11 2004 - 13:00:17 CDT)
Re: AMBER: PBCAL in mm-pbsa calculation Thomas Steinbrecher (Fri Jun 11 2004 - 14:53:21 CDT)
Re: AMBER: Compiling Amber8 on Mac OS X Yusuf Abdulghani (Fri Jun 11 2004 - 17:14:12 CDT)
Re: AMBER: parmcal problem David A. Case (Fri Jun 11 2004 - 17:37:53 CDT)
Re: AMBER: Compiling Amber8 on Mac OS X Mengjuei Hsieh (Fri Jun 11 2004 - 17:59:14 CDT)
AMBER: Suface area parameter for fluorine in MM/PBSA nlxc (Fri Jun 11 2004 - 18:38:30 CDT)
AMBER: POPE membrane, How to obtain prep and parm files? Marek Dynowski (Sat Jun 12 2004 - 12:07:08 CDT)
Re: AMBER: Suface area parameter for fluorine in MM/PBSA Scott Brozell (Sun Jun 13 2004 - 03:05:02 CDT)
AMBER: question about force field scopio (Mon Jun 14 2004 - 10:05:57 CDT)
Re: AMBER: question about force field Carlos Simmerling (Mon Jun 14 2004 - 11:14:18 CDT)
Re: AMBER: Compiling Amber8 on Mac OS X Robyn Ayscue (Mon Jun 14 2004 - 13:39:27 CDT)
Re: AMBER: Compiling Amber8 on Mac OS X Robyn Ayscue (Mon Jun 14 2004 - 13:41:15 CDT)
AMBER: Improper Torsional Parameters Johnson Agbo (Mon Jun 14 2004 - 15:41:12 CDT)
Re: AMBER: Improper Torsional Parameters David A. Case (Mon Jun 14 2004 - 16:20:21 CDT)
Re: AMBER: Improper Torsional Parameters Carlos Simmerling (Mon Jun 14 2004 - 16:54:57 CDT)
AMBER: Config file for installing Amber 8 on PC with Windows XP fangyu liang (Mon Jun 14 2004 - 18:21:07 CDT)
Re: AMBER: Config file for installing Amber 8 on PC with Windows XP David A. Case (Mon Jun 14 2004 - 20:01:57 CDT)
AMBER: About umbrella sampling in Amber 8 Yuhui Cheng (Mon Jun 14 2004 - 20:45:44 CDT)
AMBER: MOIL-View question Joseph Nachman (Tue Jun 15 2004 - 13:11:30 CDT)
AMBER: RMSD calculations in ptraj and Carnal Joseph Nachman (Tue Jun 15 2004 - 13:24:38 CDT)
AMBER: DENSITY in constant pressure MD nlxc (Tue Jun 15 2004 - 13:17:41 CDT)
Re: AMBER: RMSD calculations in ptraj and Carnal Bill Ross (Tue Jun 15 2004 - 14:23:40 CDT)
Re: AMBER: RMSD calculations in ptraj and Carnal Joseph Nachman (Tue Jun 15 2004 - 14:37:18 CDT)
Re: AMBER: About umbrella sampling in Amber 8 David A. Case (Tue Jun 15 2004 - 11:05:59 CDT)
Re: AMBER: RMSD calculations in ptraj and Carnal Thomas E. Cheatham, III (Tue Jun 15 2004 - 15:06:38 CDT)
Re: AMBER: RMSD calculations in ptraj and Carnal Bill Ross (Tue Jun 15 2004 - 15:55:31 CDT)
Re: AMBER: Core Dump ERROR When Using TIP4P Dat H. Nguyen (Tue Jun 15 2004 - 16:21:28 CDT)
AMBER: The parallel problem for umbrella sampling in Amber 8 Yuhui Cheng (Tue Jun 15 2004 - 16:14:07 CDT)
Re: AMBER: Core Dump ERROR When Using TIP4P David A. Case (Tue Jun 15 2004 - 17:28:36 CDT)
Re: AMBER: The parallel problem for umbrella sampling in Amber 8 David A. Case (Tue Jun 15 2004 - 17:55:20 CDT)
Re: AMBER: DENSITY in constant pressure MD David A. Case (Tue Jun 15 2004 - 17:50:57 CDT)
Re: AMBER: RMSD calculations in ptraj and Carnal Luis Gracia (Tue Jun 15 2004 - 19:19:53 CDT)
Re: AMBER: MOIL-View question Carlos Simmerling (Wed Jun 16 2004 - 06:57:27 CDT)
AMBER: binary files richard dimelow (Wed Jun 16 2004 - 08:29:48 CDT)
AMBER: Trouble running molecular dynamics with an increase in temp in Sander Robyn Ayscue (Wed Jun 16 2004 - 08:43:05 CDT)
Re: AMBER: Trouble running molecular dynamics with an increase in temp in Sander David A. Case (Wed Jun 16 2004 - 09:40:32 CDT)
Re: AMBER: binary files David A. Case (Wed Jun 16 2004 - 09:44:39 CDT)
Re: AMBER: Trouble running molecular dynamics with an increase in temp in Sander Carlos Simmerling (Wed Jun 16 2004 - 09:42:33 CDT)
Re: AMBER: Trouble running molecular dynamics with an increase in temp in Sander Andreas Svrcek-Seiler (Wed Jun 16 2004 - 09:58:33 CDT)
Re: AMBER: Trouble running molecular dynamics with an increase in temp in Sander Carlos Simmerling (Wed Jun 16 2004 - 10:15:20 CDT)
AMBER: problems with extra points German Sciaini (Wed Jun 16 2004 - 11:29:45 CDT)
Re: AMBER: problems with extra points David A. Case (Wed Jun 16 2004 - 13:50:05 CDT)
Re: AMBER: MOIL-View question Joseph Nachman (Wed Jun 16 2004 - 14:35:17 CDT)
Re: AMBER: MOIL-View question Carlos Simmerling (Wed Jun 16 2004 - 15:25:45 CDT)
Re: AMBER: RMSD calculations in ptraj and Carnal Joseph Nachman (Wed Jun 16 2004 - 15:16:52 CDT)
Re: AMBER: MOIL-View question Joseph Nachman (Wed Jun 16 2004 - 15:22:07 CDT)
AMBER: Nmode sebnem (Wed Jun 16 2004 - 18:47:18 CDT)
Re: AMBER: Nmode David A. Case (Wed Jun 16 2004 - 23:20:10 CDT)
Re: AMBER: Nmode sebnem (Thu Jun 17 2004 - 00:30:54 CDT)
Re: AMBER: MOIL-View question David E. Konerding DSD Staff (Wed Jun 16 2004 - 17:30:47 CDT)
Re: AMBER: Nmode David A. Case (Thu Jun 17 2004 - 10:14:26 CDT)
Re: AMBER: Trouble running molecular dynamics with an increase in temp in Sander Robyn Ayscue (Thu Jun 17 2004 - 10:35:34 CDT)
AMBER: Z-DNA xiaowei li (Thu Jun 17 2004 - 13:43:13 CDT)
Re: AMBER: Z-DNA Bill Ross (Thu Jun 17 2004 - 15:00:55 CDT)
Re: AMBER: Improper Torsional Parameters Johnson Agbo (Thu Jun 17 2004 - 15:57:08 CDT)
Re: AMBER: problems with extra points German Sciaini (Fri Jun 18 2004 - 06:08:18 CDT)
AMBER: Using gibbs to calculate free energy Xioling Chuang (Fri Jun 18 2004 - 08:15:31 CDT)
Re: AMBER: Using gibbs to calculate free energy David A. Case (Fri Jun 18 2004 - 10:14:55 CDT)
AMBER: Deeper problem with the energetics of the system nlxc (Fri Jun 18 2004 - 12:56:52 CDT)
AMBER: The first and second derivatives Johnson Agbo (Fri Jun 18 2004 - 13:08:49 CDT)
Re: AMBER: The first and second derivatives David A. Case (Fri Jun 18 2004 - 13:18:34 CDT)
Re: AMBER: Deeper problem with the energetics of the system David A. Case (Fri Jun 18 2004 - 13:20:20 CDT)
AMBER: Could not assign parameters Sivanesan Dakshanamurthy (Fri Jun 18 2004 - 13:52:18 CDT)
Re: AMBER: Could not assign parameters David A. Case (Fri Jun 18 2004 - 14:04:57 CDT)
Re: AMBER: The first and second derivatives Johnson Agbo (Fri Jun 18 2004 - 14:05:25 CDT)
AMBER: Changing MAXPR in Amber 8? Robyn Ayscue (Fri Jun 18 2004 - 14:08:13 CDT)
RE: AMBER: Changing MAXPR in Amber 8? Ross Walker (Fri Jun 18 2004 - 14:23:33 CDT)
Re: AMBER: Could not assign parameters Sivanesan Dakshanamurthy (Fri Jun 18 2004 - 14:35:32 CDT)
RE: AMBER: Changing MAXPR in Amber 8? Robyn Ayscue (Fri Jun 18 2004 - 15:03:06 CDT)
Re: AMBER: The first and second derivatives David A. Case (Fri Jun 18 2004 - 15:25:29 CDT)
Re: AMBER: Changing MAXPR in Amber 8? David A. Case (Fri Jun 18 2004 - 15:34:43 CDT)
Re: AMBER: The first and second derivatives Bill Ross (Fri Jun 18 2004 - 16:02:22 CDT)
Re: AMBER: The first and second derivatives Johnson Agbo (Fri Jun 18 2004 - 16:31:15 CDT)
AMBER: leap.log warnings scopio (Sun Jun 20 2004 - 20:18:40 CDT)
Re: AMBER: leap.log warnings Bill Ross (Sun Jun 20 2004 - 21:52:17 CDT)
Re: AMBER: PBCAL in mm-pbsa calculation Kazuo Koyano (Mon Jun 21 2004 - 01:14:56 CDT)
Re: AMBER: all_amino03.in discrepancy Vojtech Klusak (Mon Jun 21 2004 - 04:36:09 CDT)
AMBER: solvate proteins in xleap/amber8 Ting Wang (Mon Jun 21 2004 - 08:20:03 CDT)
AMBER: TOP file in AMBER7/8 Ting Wang (Mon Jun 21 2004 - 08:32:25 CDT)
Re: AMBER: TOP file in AMBER7/8 Carlos Simmerling (Mon Jun 21 2004 - 08:52:38 CDT)
Re: AMBER: solvate proteins in xleap/amber8 David A. Case (Mon Jun 21 2004 - 10:42:47 CDT)
Re: AMBER: leap.log warnings David A. Case (Mon Jun 21 2004 - 10:43:07 CDT)
AMBER: nmanal problem Ben Cossins (Mon Jun 21 2004 - 10:45:20 CDT)
Re: AMBER: nmanal problem David A. Case (Mon Jun 21 2004 - 10:51:59 CDT)
Re: AMBER: RMSD calculations in ptraj and Carnal Joseph Nachman (Mon Jun 21 2004 - 10:07:57 CDT)
Re: AMBER: all_amino03.in discrepancy Dr. Yong Duan (Mon Jun 21 2004 - 11:41:03 CDT)
AMBER: Opteron-64bit work station sachin patil (Mon Jun 21 2004 - 11:18:16 CDT)
Re: AMBER: Opteron-64bit work station ian gould (Mon Jun 21 2004 - 11:34:33 CDT)
Re: AMBER: nmanal problem Ben Cossins (Mon Jun 21 2004 - 11:40:50 CDT)
Re: AMBER: leap.log warnings Bill Ross (Mon Jun 21 2004 - 12:40:13 CDT)
Re: AMBER: leap.log warnings Bill Ross (Mon Jun 21 2004 - 14:25:35 CDT)
AMBER: newer OPLS/AA? Sichun Yang (Mon Jun 21 2004 - 18:23:03 CDT)
Re: AMBER: solvate proteins in xleap/amber8 Tomas Kubar (Tue Jun 22 2004 - 02:44:54 CDT)
Re: AMBER: leap.log warnings German Sciaini (Tue Jun 22 2004 - 05:50:01 CDT)
AMBER: High B-factor!! Pradipta Bandyopadhyay (Tue Jun 22 2004 - 07:13:09 CDT)
AMBER: MD & running time bybaker_at_itsa.ucsf.edu (Tue Jun 22 2004 - 13:11:58 CDT)
Re: AMBER: MD & running time Linda Prengaman (Tue Jun 22 2004 - 14:12:00 CDT)
AMBER: Problems in Amber MPI version (64 bits machine) Haijun Yang (Tue Jun 22 2004 - 16:57:07 CDT)
AMBER: problems to run ptraj German Sciaini (Tue Jun 22 2004 - 17:29:36 CDT)
Thanks - Re: AMBER: MD & running time bybaker_at_itsa.ucsf.edu (Tue Jun 22 2004 - 18:29:09 CDT)
Re: AMBER: Problems in Amber MPI version (64 bits machine) David A. Case (Tue Jun 22 2004 - 19:31:25 CDT)
Re: AMBER: leap.log warnings scopio (Tue Jun 22 2004 - 19:54:37 CDT)
Re: AMBER: MD & running time Bill Ross (Tue Jun 22 2004 - 20:48:03 CDT)
RE: AMBER: MD & running time Ross Walker (Tue Jun 22 2004 - 22:51:28 CDT)
Re: AMBER: MD & running time bybaker_at_itsa.ucsf.edu (Tue Jun 22 2004 - 23:29:58 CDT)
AMBER: GB parameters for Calcium cailliez (Wed Jun 23 2004 - 07:39:38 CDT)
AMBER: Box range in vacuum when restart MD scopio (Wed Jun 23 2004 - 08:22:31 CDT)
AMBER: a question on MM-PBSA and Delphi Jiayun (Wed Jun 23 2004 - 08:34:31 CDT)
Re: AMBER: a question on MM-PBSA and Delphi Thomas Steinbrecher (Wed Jun 23 2004 - 10:13:48 CDT)
Re: AMBER: Box range in vacuum when restart MD David A. Case (Wed Jun 23 2004 - 11:06:29 CDT)
Re: AMBER: Problems in Amber MPI version (64 bits machine) Haijun Yang (Wed Jun 23 2004 - 12:33:49 CDT)
RE: AMBER: a question on MM-PBSA and Delphi Jiayun (Wed Jun 23 2004 - 13:00:17 CDT)
Re: AMBER: Problems in Amber MPI version (64 bits machine) David A. Case (Wed Jun 23 2004 - 12:58:07 CDT)
RE: AMBER: a question on MM-PBSA and Delphi Thomas Steinbrecher (Wed Jun 23 2004 - 13:09:16 CDT)
Re: AMBER: GB parameters for Calcium David A. Case (Wed Jun 23 2004 - 13:10:23 CDT)
RE: AMBER: MD & running time Kristina Furse (Wed Jun 23 2004 - 14:53:13 CDT)
Re: AMBER: MD & running time David A. Case (Wed Jun 23 2004 - 16:02:45 CDT)
Re: AMBER: MD & running time Robert Duke (Wed Jun 23 2004 - 17:25:27 CDT)
AMBER: amber8 parallel jobs spookie (Wed Jun 23 2004 - 23:50:48 CDT)
Re: AMBER: amber8 parallel jobs Carlos Simmerling (Thu Jun 24 2004 - 07:17:05 CDT)
AMBER: AMBER7 : update force field gaff.dat and parm99.dat Guillaume Bollot (Thu Jun 24 2004 - 07:48:39 CDT)
AMBER: AMBER7 update force field Guillaume Bollot (Thu Jun 24 2004 - 08:23:44 CDT)
AMBER: Restrain or freeze molecule question? Guillaume Bollot (Thu Jun 24 2004 - 05:48:33 CDT)
Re: AMBER: Restrain or freeze molecule question? David A. Case (Thu Jun 24 2004 - 10:24:37 CDT)
Re: AMBER: Restrain or freeze molecule question? Carlos Simmerling (Thu Jun 24 2004 - 10:39:58 CDT)
RE: AMBER: Restrain or freeze molecule question? Junmei Wang (Thu Jun 24 2004 - 12:44:03 CDT)
AMBER: A problem about a sander parallel run Yongzhi Chen (Thu Jun 24 2004 - 13:40:37 CDT)
AMBER: Units of Charges on Atoms Johnson Agbo (Thu Jun 24 2004 - 14:22:49 CDT)
Re: AMBER: Units of Charges on Atoms Tomas Kubar (Thu Jun 24 2004 - 14:48:36 CDT)
Re: AMBER: Units of Charges on Atoms Carlos Simmerling (Thu Jun 24 2004 - 14:49:43 CDT)
AMBER: Amber 8 installation fangyu liang (Thu Jun 24 2004 - 17:24:43 CDT)
RE: AMBER: Amber 8 installation Ross Walker (Thu Jun 24 2004 - 17:38:57 CDT)
Re: AMBER: Amber 8 installation spookie (Thu Jun 24 2004 - 17:42:40 CDT)
AMBER: Born radii Marcin Krol (Fri Jun 25 2004 - 06:24:48 CDT)
Re: AMBER: amber8 parallel jobs spookie (Fri Jun 25 2004 - 08:42:09 CDT)
Re: RE: AMBER: Amber 8 installation David A. Case (Fri Jun 25 2004 - 10:33:30 CDT)
Re: AMBER: Born radii David A. Case (Fri Jun 25 2004 - 10:36:20 CDT)
AMBER: sander in parallel, amber8 spookie (Fri Jun 25 2004 - 03:49:30 CDT)
AMBER: Problems with X.R.E.D. Scott (Fri Jun 25 2004 - 10:49:24 CDT)
AMBER: restraints error Venkata S Koppuravuri (Fri Jun 25 2004 - 12:10:35 CDT)
RE: RE: AMBER: Amber 8 installation Ross Walker (Fri Jun 25 2004 - 12:27:23 CDT)
Re: AMBER: restraints error Carlos Simmerling (Fri Jun 25 2004 - 12:23:26 CDT)
Re: AMBER: restraints error David A. Case (Fri Jun 25 2004 - 12:32:48 CDT)
Re: AMBER: Problems with X.R.E.D. FyD (Fri Jun 25 2004 - 12:20:30 CDT)
RE: AMBER: Amber 8 installation fangyu liang (Fri Jun 25 2004 - 13:03:06 CDT)
RE: AMBER: Amber 8 installation spookie (Fri Jun 25 2004 - 13:08:21 CDT)
Re: AMBER: amber8 parallel jobs spookie (Fri Jun 25 2004 - 13:05:23 CDT)
Re: AMBER: restraints error Venkata S Koppuravuri (Fri Jun 25 2004 - 13:11:20 CDT)
Re: AMBER: sander in parallel, amber8 Stef (Fri Jun 25 2004 - 13:11:09 CDT)
Re: AMBER: restraints error Carlos Simmerling (Fri Jun 25 2004 - 13:19:34 CDT)
Re: AMBER: sander in parallel, amber8 spookie (Fri Jun 25 2004 - 13:26:58 CDT)
Re: AMBER: Amber 8 installation David A. Case (Fri Jun 25 2004 - 14:15:50 CDT)
AMBER: PBCAL in MM/PBSA nlxc (Fri Jun 25 2004 - 14:09:19 CDT)
Re: AMBER: restraints error David A. Case (Fri Jun 25 2004 - 14:26:56 CDT)
Re: AMBER: PBCAL in MM/PBSA Thomas Steinbrecher (Fri Jun 25 2004 - 14:37:07 CDT)
AMBER: octavalent metal Brent Krueger (Fri Jun 25 2004 - 16:17:01 CDT)
AMBER: Problem with menu bar in LEAP Cenk Andac (Fri Jun 25 2004 - 16:54:47 CDT)
Re: AMBER: Problem with menu bar in LEAP Dat H. Nguyen (Fri Jun 25 2004 - 17:09:00 CDT)
RE: AMBER: Problem with menu bar in LEAP Ross Walker (Fri Jun 25 2004 - 17:12:13 CDT)
AMBER: -p4pg problem spookie (Sat Jun 26 2004 - 03:34:40 CDT)
Re: AMBER: -p4pg problem Lubos Vrbka (Sat Jun 26 2004 - 05:59:53 CDT)
Re: AMBER: -p4pg problem spookie (Sat Jun 26 2004 - 09:00:48 CDT)
Re: AMBER: -p4pg problem Lubos Vrbka (Sat Jun 26 2004 - 09:42:55 CDT)
AMBER: AMBPDB command requires libcxa.so.5 Cenk Andac (Sat Jun 26 2004 - 10:16:52 CDT)
Re: AMBER: -p4pg problem David A. Case (Sat Jun 26 2004 - 13:54:03 CDT)
Re: AMBER: AMBPDB command requires libcxa.so.5 David A. Case (Sat Jun 26 2004 - 13:56:09 CDT)
Re: AMBER: -p4pg problem spookie (Sun Jun 27 2004 - 00:19:33 CDT)
AMBER: "Total vdw box size" information is gone Helios Chen (Sun Jun 27 2004 - 02:57:50 CDT)
Re: AMBER: Problem with menu bar in LEAP sachin patil (Sun Jun 27 2004 - 12:01:30 CDT)
Re: AMBER: "Total vdw box size" information is gone David A. Case (Sun Jun 27 2004 - 16:03:39 CDT)
AMBER: (no subject) Andrew Box (Sun Jun 27 2004 - 22:29:34 CDT)
Re: AMBER: (no subject) David A. Case (Mon Jun 28 2004 - 01:12:26 CDT)
Re: AMBER: free energy Kazuo Koyano (Mon Jun 28 2004 - 03:45:41 CDT)
AMBER: problem not with sander, but with mpich spookie (Mon Jun 28 2004 - 04:08:37 CDT)
AMBER: Amber8 compilation in IBM-AIX Jiten (Mon Jun 28 2004 - 04:19:42 CDT)
Re: AMBER: Amber8 compilation in IBM-AIX Nicolas Grima (Mon Jun 28 2004 - 05:55:59 CDT)
AMBER: NEC and Regatta Filip Lankas (Mon Jun 28 2004 - 06:47:26 CDT)
Re: AMBER: NEC and Regatta Robert Duke (Mon Jun 28 2004 - 07:18:24 CDT)
Re: AMBER: NEC and Regatta Robert Duke (Mon Jun 28 2004 - 07:38:27 CDT)
Re: AMBER: problem not with sander, but with mpich Viktor Hornak (Mon Jun 28 2004 - 07:48:51 CDT)
Re: AMBER: free energy Carlos Simmerling (Mon Jun 28 2004 - 08:06:43 CDT)
AMBER: jump in temperature + problem in trajectory files cailliez (Mon Jun 28 2004 - 09:11:14 CDT)
Re: AMBER: "Total vdw box size" information is gone Jiten (Mon Jun 28 2004 - 09:45:39 CDT)
Re: AMBER: Amber8 compilation in IBM-AIX Jiten (Mon Jun 28 2004 - 09:39:02 CDT)
AMBER: question about building prmtop and inpcrd files in xleap jz7_at_duke.edu (Mon Jun 28 2004 - 09:49:39 CDT)
Re: AMBER: AMBPDB command requires libcxa.so.5 Amber admin (Mon Jun 28 2004 - 10:12:45 CDT)
Re: AMBER: Amber8 compilation in IBM-AIX Nicolas Grima (Mon Jun 28 2004 - 10:13:32 CDT)
AMBER: Octahedron Box Seonah Kim (Mon Jun 28 2004 - 10:30:34 CDT)
Re: AMBER: Octahedron Box Carlos Simmerling (Mon Jun 28 2004 - 10:43:21 CDT)
Re: AMBER: Amber8 compilation in IBM-AIX David A. Case (Mon Jun 28 2004 - 10:42:20 CDT)
Re: AMBER: question about building prmtop and inpcrd files in xleap David A. Case (Mon Jun 28 2004 - 11:02:37 CDT)
AMBER: question about water molecule jz7_at_duke.edu (Mon Jun 28 2004 - 12:34:19 CDT)
Re: AMBER: question about water molecule Carlos Simmerling (Mon Jun 28 2004 - 12:48:11 CDT)
AMBER: About TI with sander Chunhu Tan (Mon Jun 28 2004 - 14:35:54 CDT)
Re: AMBER: About TI with sander Guanglei Cui (Mon Jun 28 2004 - 14:46:52 CDT)
Re: AMBER: Amber8 compilation in IBM-AIX Jiten (Mon Jun 28 2004 - 19:48:25 CDT)
AMBER: Amber 8 installation error fangyu liang (Tue Jun 29 2004 - 02:00:32 CDT)
RE: AMBER: a question on MM-PBSA and Delphi Jiayun (Tue Jun 29 2004 - 04:54:46 CDT)
AMBER: Test run error in amber8 : IBM-AIX Jiten (Tue Jun 29 2004 - 07:16:48 CDT)
AMBER: image and restart problems Steve Seibold (Tue Jun 29 2004 - 07:56:52 CDT)
Re: AMBER: image and restart problems Andy Purkiss (Tue Jun 29 2004 - 08:05:48 CDT)
Re: AMBER: Amber 8 installation error David A. Case (Tue Jun 29 2004 - 09:56:53 CDT)
Re: AMBER: image and restart problems Carlos Simmerling (Tue Jun 29 2004 - 09:57:42 CDT)
Re: AMBER: Test run error in amber8 : IBM-AIX David A. Case (Tue Jun 29 2004 - 10:00:58 CDT)
Re: AMBER: About TI with sander David A. Case (Tue Jun 29 2004 - 11:45:52 CDT)
AMBER: Question about dummy atoms Sébastien Osborne (Tue Jun 29 2004 - 12:16:30 CDT)
Re: AMBER: Question about dummy atoms David A. Case (Tue Jun 29 2004 - 12:24:56 CDT)
AMBER: PBCAL in mmpbsa nlxc (Tue Jun 29 2004 - 13:17:25 CDT)
AMBER: Atom Labels Karl N. Kirschner (Tue Jun 29 2004 - 15:36:22 CDT)
Re: AMBER: PBCAL in mmpbsa Thomas Steinbrecher (Tue Jun 29 2004 - 15:50:43 CDT)
Re: AMBER: Atom Labels Viktor Hornak (Tue Jun 29 2004 - 15:53:41 CDT)
Re: AMBER: Atom Labels David A. Case (Tue Jun 29 2004 - 15:54:37 CDT)
Re: AMBER: Amber 8 installation error fangyu liang (Tue Jun 29 2004 - 17:31:28 CDT)
Re: AMBER: Amber 8 installation error fangyu liang (Tue Jun 29 2004 - 17:52:29 CDT)
RE: AMBER: Amber 8 installation error Ross Walker (Tue Jun 29 2004 - 18:08:21 CDT)
Re: AMBER: Amber 8 installation error David A. Case (Tue Jun 29 2004 - 18:55:18 CDT)
Re: AMBER: PBCAL in mmpbsa nlxc (Tue Jun 29 2004 - 19:29:51 CDT)
Re: AMBER: Test run error in amber8 : IBM-AIX Jiten (Tue Jun 29 2004 - 20:19:43 CDT)
AMBER: Amber8 compilation problems on AIX Gabbar Daaku (Tue Jun 29 2004 - 21:50:13 CDT)
AMBER: problems in using glycam Wen-Chi Tseng (Wed Jun 30 2004 - 06:12:22 CDT)
Re: AMBER: Amber8 compilation problems on AIX Nicolas Grima (Wed Jun 30 2004 - 02:12:19 CDT)
AMBER: GB+LES Marcin Krol (Wed Jun 30 2004 - 04:43:27 CDT)
AMBER: About Hbond calculations using ptraj javier perez (Mon Jun 28 2004 - 12:43:37 CDT)
Re: AMBER: Atom Labels German Sciaini (Wed Jun 30 2004 - 06:36:14 CDT)
Re: AMBER: GB+LES Carlos Simmerling (Wed Jun 30 2004 - 06:26:59 CDT)
Re: AMBER: problems in using glycam David A. Case (Wed Jun 30 2004 - 10:03:07 CDT)
AMBER: Problems with processing SYBYL-Tripos pdb files in LEAP Cenk Andac (Wed Jun 30 2004 - 10:14:18 CDT)
AMBER: Problems with processing SYBYL-Tripos pdb files in LEAP Cenk Andac (Wed Jun 30 2004 - 10:12:10 CDT)
Re: AMBER: problems in using glycam Karl N. Kirschner (Wed Jun 30 2004 - 10:29:37 CDT)
Re: AMBER: Problems with processing SYBYL-Tripos pdb files in LEAP David A. Case (Wed Jun 30 2004 - 12:50:41 CDT)
Re: AMBER: About Hbond calculations using ptraj Thomas E. Cheatham, III (Wed Jun 30 2004 - 13:11:05 CDT)
AMBER: traj. analysis Grace Li (Wed Jun 30 2004 - 14:05:07 CDT)
Re: AMBER: traj. analysis Carlos Simmerling (Wed Jun 30 2004 - 14:08:50 CDT)
AMBER: N-terminal Arg charges in ff99 not 1.00 Michael Dolan (Wed Jun 30 2004 - 16:08:15 CDT)
Re: AMBER: N-terminal Arg charges in ff99 not 1.00 Guanglei Cui (Wed Jun 30 2004 - 16:13:55 CDT)
RE: AMBER: N-terminal Arg charges in ff99 not 1.00 Ross Walker (Wed Jun 30 2004 - 16:26:22 CDT)
Re: AMBER: traj. analysis Joseph Nachman (Wed Jun 30 2004 - 16:44:43 CDT)
AMBER: Questions about pert.charge and atom type change. Chunhu Tan (Wed Jun 30 2004 - 19:20:38 CDT)
Re: AMBER: Questions about pert.charge and atom type change. Guanglei Cui (Wed Jun 30 2004 - 19:54:28 CDT)
Re: AMBER: Questions about pert.charge and atom type change. David A. Case (Wed Jun 30 2004 - 20:10:02 CDT)
Re: AMBER: problems in using glycam Wen-Chi Tseng (Thu Jul 01 2004 - 07:44:27 CDT)
Re: AMBER: Problems with processing SYBYL-Tripos pdb files in LEAP Cenk Andac (Thu Jul 01 2004 - 00:02:17 CDT)
Re: AMBER: Amber 8 installation error fangyu liang (Thu Jul 01 2004 - 02:53:21 CDT)
AMBER: Implicit MD simulation yen li (Thu Jul 01 2004 - 06:49:24 CDT)
Re: AMBER: Implicit MD simulation Carlos Simmerling (Thu Jul 01 2004 - 07:07:52 CDT)
AMBER: average structure using ptraj NI AI (Thu Jul 01 2004 - 11:18:34 CDT)
Re: AMBER: average structure using ptraj Thomas E. Cheatham, III (Thu Jul 01 2004 - 12:40:25 CDT)
Re: AMBER: N-terminal Arg charges in ff99 not 1.00 Michael Dolan (Thu Jul 01 2004 - 14:00:45 CDT)
Re: AMBER: N-terminal Arg charges in ff99 not 1.00 Michael Dolan (Thu Jul 01 2004 - 14:04:37 CDT)
Re: AMBER: N-terminal Arg charges in ff99 not 1.00 David A. Case (Thu Jul 01 2004 - 14:17:52 CDT)
RE: AMBER: N-terminal Arg charges in ff99 not 1.00 Ross Walker (Thu Jul 01 2004 - 14:17:02 CDT)
Re: AMBER: N-terminal Arg charges in ff99 not 1.00 Michael Dolan (Thu Jul 01 2004 - 14:57:37 CDT)
RE: AMBER: N-terminal Arg charges in ff99 not 1.00 Ross Walker (Thu Jul 01 2004 - 15:13:00 CDT)
AMBER: no 'water.lib' in /amber8/dat/leap/ fangyu liang (Thu Jul 01 2004 - 15:21:50 CDT)
RE: AMBER: no 'water.lib' in /amber8/dat/leap/ Ross Walker (Thu Jul 01 2004 - 15:30:25 CDT)
Re: AMBER: no 'water.lib' in /amber8/dat/leap/ Rhonda Torres (Thu Jul 01 2004 - 15:25:15 CDT)
AMBER: MAXRMSPT error in MOIL-view Robyn Ayscue (Thu Jul 01 2004 - 17:19:23 CDT)
Re: AMBER: MAXRMSPT error in MOIL-view Carlos Simmerling (Thu Jul 01 2004 - 17:26:53 CDT)
AMBER: tleap input file error fangyu liang (Thu Jul 01 2004 - 18:26:18 CDT)
Re: AMBER: tleap input file error David A. Case (Thu Jul 01 2004 - 19:06:18 CDT)
AMBER: peptide-DNA crosslink modeling M. L. Dodson (Thu Jul 01 2004 - 16:51:24 CDT)
Re: AMBER: peptide-DNA crosslink modeling Carlos Simmerling (Thu Jul 01 2004 - 20:42:48 CDT)
Re: AMBER: peptide-DNA crosslink modeling David A. Case (Fri Jul 02 2004 - 00:01:40 CDT)
AMBER: mm_pbsa problem steven.j.enoch_at_gsk.com (Fri Jul 02 2004 - 05:29:57 CDT)
Re: AMBER: mm_pbsa problem david.evans_at_ulsop.ac.uk (Fri Jul 02 2004 - 05:53:23 CDT)
Re: AMBER: mm_pbsa problem David A. Case (Fri Jul 02 2004 - 09:52:46 CDT)
Re: AMBER: average structure using ptraj NI AI (Fri Jul 02 2004 - 10:15:53 CDT)
Re: AMBER: average structure using ptraj Chris Moth (Fri Jul 02 2004 - 12:11:42 CDT)
Re: AMBER: peptide-DNA crosslink modeling M. L. Dodson (Fri Jul 02 2004 - 13:06:39 CDT)
AMBER: question about antechamber program Sivanesan Dakshanamurthy (Fri Jul 02 2004 - 13:42:07 CDT)
Re: AMBER: question about antechamber program David A. Case (Fri Jul 02 2004 - 15:26:12 CDT)
AMBER: Protein MD yen li (Sat Jul 03 2004 - 11:04:59 CDT)
AMBER: best PC laptop system to run Amber 8 fangyu liang (Sat Jul 03 2004 - 16:05:35 CDT)
Re: AMBER: best PC laptop system to run Amber 8 Andreas Svrcek-Seiler (Sun Jul 04 2004 - 07:24:07 CDT)
Re: AMBER: About TI with sander Chunhu Tan (Sun Jul 04 2004 - 20:18:48 CDT)
Re: AMBER: best PC laptop system to run Amber 8 fangyu liang (Mon Jul 05 2004 - 00:04:41 CDT)
AMBER: Problem to converge minimization Guillaume Bollot (Mon Jul 05 2004 - 03:41:06 CDT)
AMBER: Namelist problem Vlad Cojocaru (Mon Jul 05 2004 - 04:25:07 CDT)
AMBER: details for Namelist problem Vlad Cojocaru (Mon Jul 05 2004 - 04:48:40 CDT)
AMBER: combination rules German Sciaini (Mon Jul 05 2004 - 07:31:43 CDT)
Re: AMBER: Problem to converge minimization Jiten (Mon Jul 05 2004 - 07:38:26 CDT)
Re: AMBER: Namelist problem Guanglei Cui (Mon Jul 05 2004 - 07:56:10 CDT)
Re: AMBER: Namelist problem Vlad Cojocaru (Mon Jul 05 2004 - 08:10:51 CDT)
AMBER: details for Namelist problem Vlad Cojocaru (Mon Jul 05 2004 - 08:22:33 CDT)
AMBER: leap problem in AMBER7 (residue insertion) Kuhn, Bernd {PRBD~Basel} (Mon Jul 05 2004 - 06:26:34 CDT)
Re: AMBER: Namelist problem Viktor Hornak (Mon Jul 05 2004 - 09:07:36 CDT)
AMBER: Amber8 on Digital UNIX Guillermo Mulliert Carlín (Mon Jul 05 2004 - 10:30:15 CDT)
Re: AMBER: Problem to converge minimization David A. Case (Mon Jul 05 2004 - 10:22:01 CDT)
Re: AMBER: Namelist problem David A. Case (Mon Jul 05 2004 - 10:21:12 CDT)
Re: AMBER: About TI with sander David A. Case (Mon Jul 05 2004 - 10:31:23 CDT)
AMBER: multiple heat bath GB+LES Marcin Krol (Mon Jul 05 2004 - 11:53:31 CDT)
Re: AMBER: Amber8 on Digital UNIX David A. Case (Mon Jul 05 2004 - 11:55:20 CDT)
Re: AMBER: leap problem in AMBER7 (residue insertion) David A. Case (Mon Jul 05 2004 - 12:21:50 CDT)
Re: AMBER: combination rules David A. Case (Mon Jul 05 2004 - 12:29:04 CDT)
AMBER: "closestwater" algorithm Grace Li (Mon Jul 05 2004 - 17:42:08 CDT)
AMBER: How to make leap recognise Zn2+? Yongzhi Chen (Mon Jul 05 2004 - 20:41:26 CDT)
AMBER: sander on multiprocessors cailliez (Tue Jul 06 2004 - 02:38:39 CDT)
Re: AMBER: sander on multiprocessors Stef (Tue Jul 06 2004 - 03:42:36 CDT)
Re: AMBER: sander on multiprocessors Andreas Svrcek-Seiler (Tue Jul 06 2004 - 06:15:48 CDT)
Re: AMBER: How to make leap recognise Zn2+? Guanglei Cui (Tue Jul 06 2004 - 08:58:27 CDT)
AMBER: idecomp Marcela Madrid (Tue Jul 06 2004 - 10:42:20 CDT)
Re: AMBER: How to make leap recognise Zn2+? Yongzhi Chen (Tue Jul 06 2004 - 11:00:26 CDT)
Re: AMBER: idecomp David A. Case (Tue Jul 06 2004 - 11:37:42 CDT)
AMBER: running MD simulatons sachin patil (Tue Jul 06 2004 - 11:52:58 CDT)
AMBER: Amber7 bugfix1 sachin patil (Tue Jul 06 2004 - 12:47:38 CDT)
RE: AMBER: Amber7 bugfix1 Ross Walker (Tue Jul 06 2004 - 13:17:49 CDT)
Re: AMBER: running MD simulatons David A. Case (Tue Jul 06 2004 - 13:40:50 CDT)
Re: AMBER: Amber7 bugfix1 David A. Case (Tue Jul 06 2004 - 13:37:04 CDT)
AMBER: charge problem in minimization yen li (Wed Jul 07 2004 - 01:33:09 CDT)
Re: AMBER: Amber8 on Digital UNIX Guillermo Mulliert Carlín (Wed Jul 07 2004 - 04:41:53 CDT)
AMBER: parameter development for nucleotide analogues Vlad Cojocaru (Wed Jul 07 2004 - 05:37:50 CDT)
AMBER: name error Prashansa Agrawal (Wed Jul 07 2004 - 17:57:53 CDT)
AMBER: Namelist problem solved Vlad Cojocaru (Wed Jul 07 2004 - 06:09:16 CDT)
AMBER: Molecular dynamic bybaker_at_itsa.ucsf.edu (Wed Jul 07 2004 - 16:12:33 CDT)
AMBER: My strange result of TI. Chunhu Tan (Wed Jul 07 2004 - 18:35:19 CDT)
AMBER: correlation in Amber 8 Bimo Ario Tejo (Thu Jul 08 2004 - 03:14:34 CDT)
AMBER: segmentation fault in leap anshul_at_imtech.res.in (Thu Jul 08 2004 - 16:40:42 CDT)
Re: AMBER: segmentation fault in leap Guillermo Mulliert Carlín (Thu Jul 08 2004 - 07:02:05 CDT)
Re: AMBER: segmentation fault in leap anshul_at_imtech.res.in (Thu Jul 08 2004 - 20:17:40 CDT)
AMBER: ptraj Wen Li (Thu Jul 08 2004 - 11:06:01 CDT)
AMBER: question about Ptraj jz7_at_duke.edu (Thu Jul 08 2004 - 11:32:07 CDT)
RE: AMBER: question about Ptraj Ross Walker (Thu Jul 08 2004 - 11:47:28 CDT)
Re: AMBER: question about Ptraj Thomas E. Cheatham, III (Thu Jul 08 2004 - 11:56:04 CDT)
AMBER: weird box expansion Herbert Georg (Thu Jul 08 2004 - 11:57:57 CDT)
RE: AMBER: ptraj Ross Walker (Thu Jul 08 2004 - 12:01:43 CDT)
RE: AMBER: segmentation fault in leap Ross Walker (Thu Jul 08 2004 - 12:07:28 CDT)
Re: AMBER: weird box expansion Thomas E. Cheatham, III (Thu Jul 08 2004 - 12:06:57 CDT)
AMBER: problems with mdcrd Carsten Detering (Thu Jul 08 2004 - 12:16:04 CDT)
RE: AMBER: Molecular dynamic Ross Walker (Thu Jul 08 2004 - 12:24:21 CDT)
RE: AMBER: problems with mdcrd Ross Walker (Thu Jul 08 2004 - 12:32:04 CDT)
RE: AMBER: name error Ross Walker (Thu Jul 08 2004 - 12:35:46 CDT)
Re: AMBER: weird box expansion Herbert Georg (Thu Jul 08 2004 - 12:38:01 CDT)
RE: AMBER: charge problem in minimization Ross Walker (Thu Jul 08 2004 - 12:40:56 CDT)
AMBER: parameter development for nucleotide analogues Vlad Cojocaru (Thu Jul 08 2004 - 12:49:42 CDT)
RE: AMBER: parameter development for nucleotide analogues Ross Walker (Thu Jul 08 2004 - 12:49:33 CDT)
AMBER: namelist problem solved Vlad Cojocaru (Thu Jul 08 2004 - 12:50:10 CDT)
Re: AMBER: idecomp Marcela Madrid (Thu Jul 08 2004 - 14:35:57 CDT)
AMBER: average using ptraj Holly Freedman (Thu Jul 08 2004 - 14:13:58 CDT)
RE: AMBER: problems with mdcrd Ross Walker (Thu Jul 08 2004 - 14:54:08 CDT)
RE: AMBER: average using ptraj Ross Walker (Thu Jul 08 2004 - 15:18:58 CDT)
Re: AMBER: name error David A. Case (Thu Jul 08 2004 - 15:54:48 CDT)
Re: AMBER: charge problem in minimization David A. Case (Thu Jul 08 2004 - 15:54:54 CDT)
AMBER: Problem with sander - Error on Open Mike (Thu Jul 08 2004 - 16:38:37 CDT)
RE: AMBER: Problem with sander - Error on Open Ross Walker (Thu Jul 08 2004 - 17:15:04 CDT)
RE: AMBER: Problem with sander - Error on Open Mike (Thu Jul 08 2004 - 20:57:43 CDT)
RE: AMBER: Problem with sander - Error on Open Thomas E. Cheatham, III (Thu Jul 08 2004 - 21:18:10 CDT)
AMBER: how to calculate E-pot from restart file? J. Zhang, Dr (Thu Jul 08 2004 - 22:13:44 CDT)
Re: AMBER: how to calculate E-pot from restart file? David A. Case (Thu Jul 08 2004 - 23:07:49 CDT)
AMBER: execution time cailliez (Fri Jul 09 2004 - 04:50:25 CDT)
AMBER: cys protecting group parameters Stefano.Pieraccini_at_unimi.it (Fri Jul 09 2004 - 08:48:36 CDT)
AMBER: cys protecting groups parameters Stefano.Pieraccini_at_unimi.it (Fri Jul 09 2004 - 07:41:20 CDT)
AMBER: Setup for parallel computing fangyu liang (Fri Jul 09 2004 - 12:00:32 CDT)
AMBER: Disulfide bond command bybaker_at_itsa.ucsf.edu (Fri Jul 09 2004 - 13:16:13 CDT)
RE: AMBER: Disulfide bond command Ross Walker (Fri Jul 09 2004 - 13:27:13 CDT)
RE: AMBER: execution time Ross Walker (Fri Jul 09 2004 - 13:52:08 CDT)
Re: AMBER: Disulfide bond command bybaker_at_itsa.ucsf.edu (Fri Jul 09 2004 - 13:51:46 CDT)
Re: AMBER: Molecular dynamic bybaker_at_itsa.ucsf.edu (Fri Jul 09 2004 - 17:54:38 CDT)
AMBER: MD simulation : problem sachin patil (Sat Jul 10 2004 - 00:08:15 CDT)
RE: AMBER: MD simulation : problem Ross Walker (Sat Jul 10 2004 - 00:35:14 CDT)
AMBER: About the calculation of non-bond list Wu Lei (Sat Jul 10 2004 - 09:21:57 CDT)
AMBER: Problem amber8 compilation in Opteron(Linux) with PGI-workstation compiler Jiten (Sat Jul 10 2004 - 10:30:15 CDT)
AMBER: ptraj-closestwaters command Grace Li (Sat Jul 10 2004 - 11:14:34 CDT)
Re: AMBER: Problem amber8 compilation in Opteron(Linux) with PGI-workstation compiler Mark Williamson (Sat Jul 10 2004 - 12:54:56 CDT)
Re: AMBER: Setup for parallel computing Stef (Sat Jul 10 2004 - 16:14:56 CDT)
Re: AMBER: Setup for parallel computing fangyu liang (Sat Jul 10 2004 - 18:10:19 CDT)
Re: AMBER: Problem amber8 compilation in Opteron(Linux) with PGI-workstation compiler David A. Case (Sat Jul 10 2004 - 22:46:57 CDT)
Re: AMBER: Problem amber8 compilation in Opteron(Linux) with PGI-workstation compiler Jiten (Sun Jul 11 2004 - 00:04:35 CDT)
Re: AMBER: Problem amber8 compilation in Opteron(Linux) with PGI-workstation compiler Jiten (Sun Jul 11 2004 - 00:24:27 CDT)
AMBER: Rigid counteranion during MD !! Jiten (Sun Jul 11 2004 - 03:26:35 CDT)
Re: AMBER: Rigid counteranion during MD !! Jiten (Sun Jul 11 2004 - 09:51:48 CDT)
RE: AMBER: MD simulation : problem sachin patil (Sun Jul 11 2004 - 10:08:13 CDT)
RE: AMBER: Problem amber8 compilation in Opteron(Linux) with PGI-workstation compiler Ross Walker (Sun Jul 11 2004 - 13:38:49 CDT)
RE: AMBER: Problem amber8 compilation in Opteron(Linux) with PGI-workstation compiler Mark Williamson (Sun Jul 11 2004 - 15:52:45 CDT)
RE: AMBER: MD simulation : problem Ross Walker (Sun Jul 11 2004 - 19:41:11 CDT)
AMBER: solvation free energy hj zou (Fri Jul 09 2004 - 02:38:39 CDT)
Re: Re: AMBER: xleap problem hj zou (Sun Jul 11 2004 - 01:16:19 CDT)
AMBER: hj zou (Sun Jul 11 2004 - 01:16:17 CDT)
AMBER: solvation free energy hj zou (Sun Jul 11 2004 - 01:16:19 CDT)
RE: AMBER: MD simulation : problem sachin patil (Sun Jul 11 2004 - 23:53:51 CDT)
AMBER: Fe parameter hj zou (Mon Jul 12 2004 - 02:09:29 CDT)
Re: AMBER: Fe parameter Wu Lei (Mon Jul 12 2004 - 02:51:18 CDT)
AMBER: Problems with CPU scaling on cluster Your Name (Mon Jul 12 2004 - 03:12:48 CDT)
Re: AMBER: Problem amber8 compilation in Opteron(Linux) with PGI-workstation compiler Jiten (Mon Jul 12 2004 - 04:36:36 CDT)
AMBER: RNA sequence with DNA backbone? Arvind (Mon Jul 12 2004 - 06:26:36 CDT)
Re: AMBER: Fe parameter scopio (Mon Jul 12 2004 - 09:18:52 CDT)
Re: AMBER: xleap problem scopio (Mon Jul 12 2004 - 09:09:47 CDT)
Re: Re: AMBER: xleap problem hj zou (Mon Jul 12 2004 - 09:56:55 CDT)
AMBER: question about Ptraj - AND OR james tomomi macdonald (Mon Jul 12 2004 - 10:06:59 CDT)
Re: AMBER: question about Ptraj - AND OR Thomas E. Cheatham, III (Mon Jul 12 2004 - 10:15:13 CDT)
AMBER: what is averaged RMS fluctuation? jz7_at_duke.edu (Mon Jul 12 2004 - 11:17:30 CDT)
Re: AMBER: question about Ptraj - AND OR Herr/Señor/Monsieur/Mister Gregory (Mon Jul 12 2004 - 11:15:47 CDT)
Re: AMBER: solvation free energy Ray Luo (Sun Jul 11 2004 - 21:25:44 CDT)
RE: AMBER: MD simulation : problem Ross Walker (Mon Jul 12 2004 - 12:55:33 CDT)
RE: AMBER: Molecular dynamic Ross Walker (Mon Jul 12 2004 - 13:12:53 CDT)
RE: AMBER: Fe parameter Ross Walker (Mon Jul 12 2004 - 13:19:23 CDT)
RE: AMBER: Problem amber8 compilation in Opteron(Linux) with PGI-workstation compiler Scott Brozell (Mon Jul 12 2004 - 13:30:39 CDT)
RE: AMBER: Problems with CPU scaling on cluster Ross Walker (Mon Jul 12 2004 - 13:38:27 CDT)
RE: AMBER: what is averaged RMS fluctuation? Ross Walker (Mon Jul 12 2004 - 13:51:47 CDT)
RE: AMBER: what is averaged RMS fluctuation? jz7_at_duke.edu (Mon Jul 12 2004 - 14:59:26 CDT)
RE: AMBER: what is averaged RMS fluctuation? Thomas E. Cheatham, III (Mon Jul 12 2004 - 15:28:21 CDT)
Re: AMBER: what is averaged RMS fluctuation? Carlos Simmerling (Mon Jul 12 2004 - 15:37:13 CDT)
Re: AMBER: RNA sequence with DNA backbone? David A. Case (Mon Jul 12 2004 - 15:35:43 CDT)
Re: AMBER: ptraj-closestwaters command Thomas E. Cheatham, III (Mon Jul 12 2004 - 15:38:41 CDT)
RE: AMBER: what is averaged RMS fluctuation? Ross Walker (Mon Jul 12 2004 - 15:40:23 CDT)
AMBER: About the free energy difference in vacuum with GIBBS. Chunhu Tan (Mon Jul 12 2004 - 17:34:35 CDT)
AMBER: Jiten (Tue Jul 13 2004 - 04:25:53 CDT)
RE: AMBER: Molecular dynamic Andy Purkiss (Tue Jul 13 2004 - 04:21:02 CDT)
Re: AMBER: Problem amber8 compilation in Opteron(Linux) with PGI-workstation compiler Jiten (Tue Jul 13 2004 - 04:52:06 CDT)
Re: AMBER: Problem amber8 compilation in Opteron(Linux) with PGI-workstation compiler Jiten (Tue Jul 13 2004 - 04:46:57 CDT)
AMBER: Angle restraint during MD Jiten (Tue Jul 13 2004 - 04:28:14 CDT)
Re: AMBER: Angle restraint during MD Carlos Simmerling (Tue Jul 13 2004 - 07:00:42 CDT)
Re: AMBER: Carlos Simmerling (Tue Jul 13 2004 - 06:59:08 CDT)
Re: AMBER: solvate proteins in xleap/amber8 Ting Wang (Tue Jul 13 2004 - 07:23:51 CDT)
AMBER: Use of ibelly with nmode analysis steven.j.enoch_at_gsk.com (Tue Jul 13 2004 - 08:30:30 CDT)
RE: AMBER: MD simulation : problem :THANK YOU sachin patil (Tue Jul 13 2004 - 09:51:28 CDT)
AMBER: torsion scan Guanglei Cui (Tue Jul 13 2004 - 10:18:32 CDT)
RE: AMBER: Molecular dynamic Joseph Nachman (Tue Jul 13 2004 - 10:21:09 CDT)
Re: AMBER: Angle restraint during MD Jiten (Tue Jul 13 2004 - 11:21:28 CDT)
Re: AMBER: Use of ibelly with nmode analysis David A. Case (Tue Jul 13 2004 - 11:24:27 CDT)
AMBER: (no subject) anshul_at_imtech.res.in (Tue Jul 13 2004 - 22:40:08 CDT)
RE: AMBER: (no subject) Ross Walker (Tue Jul 13 2004 - 12:32:22 CDT)
AMBER: Parameter generation from RESP charges anshul_at_imtech.res.in (Tue Jul 13 2004 - 23:02:07 CDT)
Re: AMBER: torsion scan Furse, Kristina Elisabet (Tue Jul 13 2004 - 12:37:35 CDT)
Re: AMBER: Angle restraint during MD Carlos Simmerling (Tue Jul 13 2004 - 12:47:16 CDT)
Re: AMBER: Molecular dynamic & Acknowledgement bybaker_at_itsa.ucsf.edu (Tue Jul 13 2004 - 13:20:50 CDT)
AMBER: anisotropic scaling Xiang, Tian-Xiang (Tue Jul 13 2004 - 14:12:32 CDT)
RE: AMBER: anisotropic scaling Ross Walker (Tue Jul 13 2004 - 14:39:05 CDT)
Re: AMBER: anisotropic scaling David A. Case (Tue Jul 13 2004 - 15:43:02 CDT)
Re: AMBER: torsion scan David A. Case (Tue Jul 13 2004 - 15:47:00 CDT)
Re: AMBER: torsion scan Guanglei Cui (Tue Jul 13 2004 - 16:12:50 CDT)
AMBER: How to apply OPLS force field? Wu Lei (Tue Jul 13 2004 - 22:23:04 CDT)
Re: AMBER: Angle restraint during MD Jiten (Wed Jul 14 2004 - 00:51:42 CDT)
Re: AMBER: RNA sequence with DNA backbone? Arvind (Wed Jul 14 2004 - 05:50:29 CDT)
AMBER: Implicit MD problem yen li (Wed Jul 14 2004 - 06:01:39 CDT)
Re: AMBER: RNA sequence with DNA backbone? Vlad Cojocaru (Wed Jul 14 2004 - 06:09:13 CDT)
Re: AMBER: leap problem in AMBER7 (residue insertion) Kuhn, Bernd {PRBD~Basel} (Wed Jul 14 2004 - 06:44:00 CDT)
Re: AMBER: How to apply OPLS force field? mcpreto_at_fc.up.pt (Wed Jul 14 2004 - 08:26:04 CDT)
Re: AMBER: Angle restraint during MD Carlos Simmerling (Wed Jul 14 2004 - 08:39:38 CDT)
Re: AMBER: Implicit MD problem Carlos Simmerling (Wed Jul 14 2004 - 08:42:18 CDT)
AMBER: Problem with divcon - increasing MXATTS? steven.j.enoch_at_gsk.com (Wed Jul 14 2004 - 10:33:38 CDT)
Re: AMBER: Problem with divcon - increasing MXATTS? Kennie Merz (Wed Jul 14 2004 - 11:01:54 CDT)
Re: AMBER: Angle restraint during MD and namelist problem in amber8 Jiten (Wed Jul 14 2004 - 11:13:38 CDT)
Re: AMBER: Angle restraint during MD and namelist problem in amber8 Thomas E. Cheatham, III (Wed Jul 14 2004 - 11:22:26 CDT)
Re: AMBER: How to apply OPLS force field? Sichun Yang (Wed Jul 14 2004 - 11:21:41 CDT)
Re: AMBER: Implicit MD problem David A. Case (Wed Jul 14 2004 - 11:29:47 CDT)
Re: AMBER: How to apply OPLS force field? David A. Case (Wed Jul 14 2004 - 11:29:59 CDT)
Re: AMBER: Implicit MD problem yen li (Wed Jul 14 2004 - 11:44:47 CDT)
Re: AMBER: Problem with divcon - increasing MXATTS? steven.j.enoch_at_gsk.com (Wed Jul 14 2004 - 11:45:54 CDT)
Re: AMBER: Implicit MD problem Carlos Simmerling (Wed Jul 14 2004 - 11:53:31 CDT)
Re: AMBER: Problem with divcon - increasing MXATTS? Kennie Merz (Wed Jul 14 2004 - 12:03:32 CDT)
RE: AMBER: Problem with divcon - increasing MXATTS? Ross Walker (Wed Jul 14 2004 - 13:13:19 CDT)
RE: AMBER: (no subject) Ross Walker (Wed Jul 14 2004 - 13:33:38 CDT)
RE: AMBER: (no subject) FyD (Wed Jul 14 2004 - 14:30:04 CDT)
AMBER: Enthalpy of solvent-solute vanderWaals Scott (Wed Jul 14 2004 - 14:56:45 CDT)
Re: AMBER: About the free energy difference in vacuum with GIBBS. David A. Case (Wed Jul 14 2004 - 15:51:38 CDT)
AMBER: ptraj Wen Li (Wed Jul 14 2004 - 16:07:11 CDT)
AMBER: tleap - FATAL error Sivanesan Dakshanamurthy (Wed Jul 14 2004 - 16:28:41 CDT)
Re: AMBER: tleap - FATAL error Scott Brozell (Wed Jul 14 2004 - 16:44:41 CDT)
Re: RE: AMBER: Amber 8 installation fangyu liang (Fri Jun 25 2004 - 02:34:45 CDT)
Re: AMBER: How to apply OPLS force field? Wu Lei (Wed Jul 14 2004 - 23:12:50 CDT)
RE: AMBER: How to apply OPLS force field? Ross Walker (Wed Jul 14 2004 - 23:20:58 CDT)
AMBER: Normal mode calculation with periodic boundary condition Johnson Agbo (Thu Jul 15 2004 - 00:15:09 CDT)
Re: AMBER: How to apply OPLS force field? Wu Lei (Thu Jul 15 2004 - 02:45:31 CDT)
AMBER: announcing normal mode analysis web server ElNemo Karsten Suhre (Thu Jul 15 2004 - 03:21:07 CDT)
AMBER: Correl in Amber8: Diagonal elements not 1? Bimo Ario Tejo (Thu Jul 15 2004 - 06:47:43 CDT)
Re: AMBER: xleap solvatebox/oct problem Jiten (Thu Jul 15 2004 - 10:18:59 CDT)
AMBER: Problems with amber8 and pgf90 Marc Perea (Thu Jul 15 2004 - 05:30:36 CDT)
RE: AMBER: How to apply OPLS force field? Bill Ross (Thu Jul 15 2004 - 11:08:22 CDT)
Re: AMBER: Problems with amber8 and pgf90 Scott Brozell (Thu Jul 15 2004 - 11:23:44 CDT)
Re: AMBER: xleap solvatebox/oct problem David A. Case (Thu Jul 15 2004 - 12:02:11 CDT)
Re: AMBER: How to apply OPLS force field? David A. Case (Thu Jul 15 2004 - 12:04:22 CDT)
Re: AMBER: Normal mode calculation with periodic boundary condition David A. Case (Thu Jul 15 2004 - 12:04:07 CDT)
AMBER: antechamber Xin Hu (Thu Jul 15 2004 - 13:03:44 CDT)
RE: AMBER: antechamber Ross Walker (Thu Jul 15 2004 - 13:21:44 CDT)
RE: AMBER: Problems with CPU scaling on cluster Ross Walker (Thu Jul 15 2004 - 13:48:15 CDT)
Re: AMBER: antechamber Xin Hu (Thu Jul 15 2004 - 15:57:09 CDT)
Re: AMBER: antechamber David A. Case (Thu Jul 15 2004 - 18:30:26 CDT)
AMBER: pH effect on protein folding Rukman Hertadi (Thu Jul 15 2004 - 21:00:54 CDT)
AMBER: Amber8: Vlimit problem again Yuhui Cheng (Thu Jul 15 2004 - 21:34:58 CDT)
Re: AMBER: antechamber Xin Hu (Thu Jul 15 2004 - 21:51:26 CDT)
Re: AMBER: pH effect on protein folding Bimo Ario Tejo (Thu Jul 15 2004 - 22:34:39 CDT)
AMBER: Is it a bug?(in prep file opls_unict.in) Wu Lei (Thu Jul 15 2004 - 22:44:09 CDT)
AMBER: NB pairs exceeds? Chen (Fri Jul 16 2004 - 02:35:16 CDT)
Re: AMBER: NB pairs exceeds? Wu Lei (Fri Jul 16 2004 - 03:07:56 CDT)
Re: Re: AMBER: NB pairs exceeds? Chen (Fri Jul 16 2004 - 03:40:42 CDT)
Re: AMBER: xleap solvatebox/oct problem Jiten (Fri Jul 16 2004 - 04:07:09 CDT)
Re: AMBER: Amber8: Vlimit problem again German Sciaini (Fri Jul 16 2004 - 08:12:59 CDT)
Re: AMBER: Problems with CPU scaling on cluster David E. Konerding (Fri Jul 16 2004 - 10:46:01 CDT)
Re: AMBER: antechamber David A. Case (Fri Jul 16 2004 - 11:16:14 CDT)
Re: Re: AMBER: NB pairs exceeds? David A. Case (Fri Jul 16 2004 - 11:23:22 CDT)
Re: AMBER: Amber8: Vlimit problem again David A. Case (Fri Jul 16 2004 - 11:26:06 CDT)
Re: AMBER: Is it a bug?(in prep file opls_unict.in) David A. Case (Fri Jul 16 2004 - 11:27:41 CDT)
AMBER: X-CA-CT-X dih. FF param ? FyD (Fri Jul 16 2004 - 12:08:26 CDT)
Re: AMBER: X-CA-CT-X dih. FF param ? Guanglei Cui (Fri Jul 16 2004 - 12:24:46 CDT)
Re: AMBER: antechamber Bill Ross (Fri Jul 16 2004 - 12:48:07 CDT)
AMBER: question about production runs opitz_at_che.udel.edu (Fri Jul 16 2004 - 14:42:06 CDT)
AMBER: RESP vs. AM1-BCC charges for isoprene Oliver Hucke (Fri Jul 16 2004 - 16:00:57 CDT)
Re: AMBER: RESP vs. AM1-BCC charges for isoprene Rhonda Torres (Fri Jul 16 2004 - 16:20:42 CDT)
Re: AMBER: RESP vs. AM1-BCC charges for isoprene Carsten Detering (Fri Jul 16 2004 - 16:37:22 CDT)
Re: AMBER: RESP vs. AM1-BCC charges for isoprene Carsten Detering (Fri Jul 16 2004 - 16:33:51 CDT)
Re: AMBER: RESP vs. AM1-BCC charges for isoprene Oliver Hucke (Fri Jul 16 2004 - 17:49:00 CDT)
Re: AMBER: RESP vs. AM1-BCC charges for isoprene Ilyas Yildirim (Fri Jul 16 2004 - 17:36:22 CDT)
AMBER: Cubic Ice Johnson Agbo (Fri Jul 16 2004 - 20:08:14 CDT)
Re: AMBER: Is it a bug?(in prep file opls_unict.in) Wu Lei (Sat Jul 17 2004 - 00:15:16 CDT)
Re: Re: AMBER: NB pairs exceeds? csong_at_mail.sdu.edu.cn (Sat Jul 17 2004 - 05:10:23 CDT)
Re: AMBER: RESP vs. AM1-BCC charges for isoprene Joe Harriman (Sat Jul 17 2004 - 07:44:47 CDT)
AMBER: Amber7 (8):FLUSH--FAILED:: Resource temporarily unavailable Jean-Christophe Ducom (Sat Jul 17 2004 - 15:01:47 CDT)
Re: Re: AMBER: NB pairs exceeds? David A. Case (Sat Jul 17 2004 - 20:09:22 CDT)
Re: Re: AMBER: NB pairs exceeds? csong_at_mail.sdu.edu.cn (Sun Jul 18 2004 - 03:28:27 CDT)
AMBER: Re: Results from RED-II beta FyD (Sun Jul 18 2004 - 11:11:41 CDT)
AMBER: vdw energy in minimization anshul_at_imtech.res.in (Mon Jul 19 2004 - 10:11:17 CDT)
AMBER: Weird compiling problem in Amber 8 echanco_at_uci.edu (Mon Jul 19 2004 - 00:51:29 CDT)
Re: AMBER: Weird compiling problem in Amber 8 fangyu liang (Mon Jul 19 2004 - 01:30:22 CDT)
Re: AMBER: vdw energy in minimization carlos (Mon Jul 19 2004 - 07:13:30 CDT)
Re: AMBER: Weird compiling problem in Amber 8 Scott Brozell (Mon Jul 19 2004 - 12:08:54 CDT)
Re: AMBER: vdw energy in minimization anshul_at_imtech.res.in (Mon Jul 19 2004 - 22:44:30 CDT)
Re: AMBER: solvation free energy Qizhi Cui (Mon Jul 19 2004 - 12:32:17 CDT)
AMBER: .lib file error in tleap anita pachaimuthu (Mon Jul 19 2004 - 12:19:19 CDT)
Re: AMBER: .lib file error in tleap Sébastien Osborne (Mon Jul 19 2004 - 13:15:11 CDT)
Re: AMBER: vdw energy in minimization Carlos Simmerling (Mon Jul 19 2004 - 13:47:21 CDT)
AMBER: antechamber - missing improper torsions O. Hucke (Mon Jul 19 2004 - 13:58:39 CDT)
Re: AMBER: Weird compiling problem in Amber 8 Ray Luo (Mon Jul 19 2004 - 00:34:03 CDT)
AMBER: A problem regarding constant pH calculation in Amber 8 Yongzhi Chen (Mon Jul 19 2004 - 20:54:43 CDT)
AMBER: PB Bomb in pb_reslist(): maxnbr too small steven.j.enoch_at_gsk.com (Tue Jul 20 2004 - 08:00:59 CDT)
Re: AMBER: antechamber - missing improper torsions German Sciaini (Tue Jul 20 2004 - 08:04:17 CDT)
AMBER: antechamber - improper torsions Oliver Hucke (Tue Jul 20 2004 - 11:23:02 CDT)
Re: AMBER: PB Bomb in pb_reslist(): maxnbr too small Ray Luo (Mon Jul 19 2004 - 07:22:26 CDT)
AMBER: FW: missing bondi radii of Br and F for surface area calculation S. Frank Yan (Tue Jul 20 2004 - 12:30:13 CDT)
AMBER: about GLYCAM prep files in AMBER Ozlem Demir (Tue Jul 20 2004 - 12:34:07 CDT)
AMBER: Problem with sander tutorial. tarek mahfouz (Tue Jul 20 2004 - 14:09:44 CDT)
RE: AMBER: Problem with sander tutorial. Ross Walker (Tue Jul 20 2004 - 15:16:28 CDT)
AMBER: Bondi radii for BR and F in mm_pbsa calculation S. Frank Yan (Tue Jul 20 2004 - 18:01:03 CDT)
Re: AMBER: Bondi radii for BR and F in mm_pbsa calculation Rhonda Torres (Tue Jul 20 2004 - 19:23:10 CDT)
AMBER: Leap could not find atom type CK ÎâÀÚ (Tue Jul 20 2004 - 23:35:54 CDT)
Re: AMBER: Is it a bug?(in prep file opls_unict.in) David A. Case (Wed Jul 21 2004 - 03:52:22 CDT)
AMBER: Re: Re: AMBER: Is it a bug?(in prep file opls_unict.in) ÎâÀÚ (Wed Jul 21 2004 - 05:59:13 CDT)
AMBER: atom out of bounds Venkata S Koppuravuri (Wed Jul 21 2004 - 08:25:25 CDT)
Re: AMBER: Re: Re: AMBER: Is it a bug?(in prep file opls_unict.in) David A. Case (Wed Jul 21 2004 - 08:32:44 CDT)
AMBER: Co-ordination error while running tleap anita pachaimuthu (Wed Jul 21 2004 - 10:12:12 CDT)
RE: AMBER: antechamber - missing improper torsions Junmei Wang (Wed Jul 21 2004 - 11:11:04 CDT)
AMBER: question about ptraj jz7_at_duke.edu (Wed Jul 21 2004 - 15:00:01 CDT)
AMBER: What happen when sander reads charge increments from cpin file? Yongzhi Chen (Wed Jul 21 2004 - 15:24:51 CDT)
Re: AMBER: question about ptraj Guanglei Cui (Wed Jul 21 2004 - 15:32:29 CDT)
RE: AMBER: What happen when sander reads charge increments from cpin file? Ross Walker (Wed Jul 21 2004 - 15:41:45 CDT)
AMBER: cut offs in amber? Grace Li (Wed Jul 21 2004 - 15:47:43 CDT)
AMBER: amparm Vincent Bisetty (Wed Jul 21 2004 - 15:37:39 CDT)
RE: AMBER: cut offs in amber? Ross Walker (Wed Jul 21 2004 - 16:05:02 CDT)
RE: AMBER: amparm Ross Walker (Wed Jul 21 2004 - 16:11:29 CDT)
RE: AMBER: cut offs in amber? Grace Li (Wed Jul 21 2004 - 16:20:40 CDT)
Re: AMBER: cut offs in amber? Carlos Simmerling (Wed Jul 21 2004 - 16:32:18 CDT)
RE: AMBER: cut offs in amber? Ross Walker (Wed Jul 21 2004 - 16:39:47 CDT)
RE: AMBER: What happen when sander reads charge increments from cpin file? Yongzhi Chen (Wed Jul 21 2004 - 16:59:40 CDT)
RE: AMBER: cut offs in amber? Grace Li (Wed Jul 21 2004 - 17:03:05 CDT)
RE: AMBER: cut offs in amber? Ross Walker (Wed Jul 21 2004 - 17:10:09 CDT)
Re: AMBER: Amber8: Vlimit problem again Yuhui Cheng (Wed Jul 21 2004 - 18:44:09 CDT)
RE: AMBER: Amber8: Vlimit problem again Ross Walker (Wed Jul 21 2004 - 18:55:59 CDT)
AMBER: sander tutorial mathew k varghese (Thu Jul 22 2004 - 07:16:33 CDT)
Re: AMBER: sander tutorial Carlos Simmerling (Thu Jul 22 2004 - 07:33:08 CDT)
RE: AMBER: RESP vs. AM1-BCC charges for isoprene ajakalian_at_lav.Boehringer-Ingelheim.com (Thu Jul 22 2004 - 07:43:16 CDT)
AMBER: mutation of atoms Nelson Fonseca (Thu Jul 22 2004 - 07:41:22 CDT)
AMBER: found unknown atflg PB Scott (Thu Jul 22 2004 - 08:38:33 CDT)
AMBER: Xleap crash, problem with residue bonding opitz_at_che.udel.edu (Thu Jul 22 2004 - 09:24:35 CDT)
Re: AMBER: found unknown atflg PB Holger Gohlke (Thu Jul 22 2004 - 09:56:38 CDT)
RE: AMBER: Problem with sander tutorial. tarek mahfouz (Thu Jul 22 2004 - 11:59:42 CDT)
AMBER: user force Myunggi Yi (Thu Jul 22 2004 - 12:00:16 CDT)
AMBER: (no subject) myunggi_at_csit.fsu.edu (Thu Jul 22 2004 - 12:10:09 CDT)
AMBER: atom out of bounds (fwd) Venkata S Koppuravuri (Thu Jul 22 2004 - 14:52:13 CDT)
RE: AMBER: Problem with sander tutorial. Ross Walker (Thu Jul 22 2004 - 15:57:20 CDT)
RE: AMBER: atom out of bounds (fwd) Ross Walker (Thu Jul 22 2004 - 15:54:52 CDT)
Re: AMBER: user force Furse, Kristina Elisabet (Thu Jul 22 2004 - 16:07:46 CDT)
RE: AMBER: Xleap crash, problem with residue bonding Ross Walker (Thu Jul 22 2004 - 16:31:22 CDT)
Re: AMBER: user force Bill Ross (Thu Jul 22 2004 - 16:57:24 CDT)
Re: AMBER: user force myunggi_at_csit.fsu.edu (Thu Jul 22 2004 - 16:48:28 CDT)
RE: AMBER: Xleap crash, problem with residue bonding Bill Ross (Thu Jul 22 2004 - 16:55:58 CDT)
RE: AMBER: user force Ross Walker (Thu Jul 22 2004 - 17:08:04 CDT)
RE: AMBER: user force myunggi_at_csit.fsu.edu (Thu Jul 22 2004 - 17:25:50 CDT)
Re: AMBER: user force Carlos Simmerling (Thu Jul 22 2004 - 17:28:42 CDT)
RE: AMBER: user force Ross Walker (Thu Jul 22 2004 - 17:40:16 CDT)
RE: AMBER: user force myunggi_at_csit.fsu.edu (Thu Jul 22 2004 - 18:26:14 CDT)
AMBER: Ewald parameter range Johnson Agbo (Thu Jul 22 2004 - 19:16:08 CDT)
RE: AMBER: Problem with sander tutorial. Scott (Thu Jul 22 2004 - 21:08:19 CDT)
AMBER: sander : constraints to conserve hydrogen bonds sachin patil (Thu Jul 22 2004 - 23:15:04 CDT)
Re: AMBER: sander : constraints to conserve hydrogen bonds Jiten (Fri Jul 23 2004 - 00:58:15 CDT)
Re: AMBER: Ewald parameter range David A. Case (Fri Jul 23 2004 - 03:53:50 CDT)
Re: AMBER: user force Carlos Simmerling (Fri Jul 23 2004 - 06:47:17 CDT)
Re: AMBER: sander : constraints to conserve hydrogen bonds Carlos Simmerling (Fri Jul 23 2004 - 07:08:43 CDT)
AMBER: pmemd. Osman Gani (Fri Jul 23 2004 - 12:09:55 CDT)
Re: AMBER: RESP vs. AM1-BCC charges for isoprene Oliver Hucke (Fri Jul 23 2004 - 12:41:05 CDT)
Re: AMBER: pmemd. Robert Duke (Fri Jul 23 2004 - 12:46:48 CDT)
Re: AMBER: Ewald parameter range Johnson Agbo (Fri Jul 23 2004 - 13:00:12 CDT)
AMBER: parametrization problem Carsten Detering (Fri Jul 23 2004 - 13:16:13 CDT)
RE: AMBER: parametrization problem Ross Walker (Fri Jul 23 2004 - 14:32:15 CDT)
Re: AMBER: parametrization problem Carsten Detering (Fri Jul 23 2004 - 15:38:59 CDT)
AMBER: about RDF calculation in action.c Grace Li (Fri Jul 23 2004 - 15:39:07 CDT)
Re: AMBER: parametrization problem Carsten Detering (Fri Jul 23 2004 - 15:33:01 CDT)
AMBER: atoms not in residue templates anshul_at_imtech.res.in (Sat Jul 24 2004 - 10:19:42 CDT)
AMBER: erroe in installing amber8 anshul_at_imtech.res.in (Sat Jul 24 2004 - 12:11:02 CDT)
Re: AMBER: erroe in installing amber8 David A. Case (Sat Jul 24 2004 - 03:40:06 CDT)
RE: AMBER: atoms not in residue templates Ross Walker (Sat Jul 24 2004 - 10:05:36 CDT)
Re: AMBER: erroe in installing amber8 Scott Brozell (Sun Jul 25 2004 - 19:58:58 CDT)
AMBER: about the parameter of the cystein pair in MD simulation Yuhui Cheng (Sun Jul 25 2004 - 21:01:13 CDT)
Re: AMBER: about the parameter of the cystein pair in MD simulation Thomas E. Cheatham, III (Sun Jul 25 2004 - 22:07:44 CDT)
AMBER: about running ptraj in amber8 jz7_at_duke.edu (Mon Jul 26 2004 - 09:04:33 CDT)
RE: AMBER: RESP vs. AM1-BCC charges for isoprene ajakalian_at_lav.Boehringer-Ingelheim.com (Mon Jul 26 2004 - 10:09:31 CDT)
Re: AMBER: Xleap crash, problem with residue bonding opitz_at_che.udel.edu (Mon Jul 26 2004 - 10:39:51 CDT)
RE: AMBER: about running ptraj in amber8 Ross Walker (Mon Jul 26 2004 - 11:22:36 CDT)
RE: AMBER: about running ptraj in amber8 jz7_at_duke.edu (Mon Jul 26 2004 - 11:30:42 CDT)
AMBER: amber compilation Livadaru, Lucian (Mon Jul 26 2004 - 15:15:50 CDT)
AMBER: about running ptraj in ambber8 (re-post) jz7_at_duke.edu (Mon Jul 26 2004 - 15:47:52 CDT)
Re: AMBER: amber compilation Viktor Hornak (Mon Jul 26 2004 - 15:47:33 CDT)
AMBER: Temperature Regulation Johnson Agbo (Mon Jul 26 2004 - 23:40:44 CDT)
AMBER: mm_pbsa Abmer8 example John (Tue Jul 27 2004 - 05:38:50 CDT)
Re: AMBER: Temperature Regulation Andreas Svrcek-Seiler (Tue Jul 27 2004 - 09:09:51 CDT)
Re: AMBER: Temperature Regulation David A. Case (Tue Jul 27 2004 - 10:24:31 CDT)
AMBER: question on simulated annealing Venkata S Koppuravuri (Tue Jul 27 2004 - 13:21:52 CDT)
AMBER: Question on Clustering Analysis Chen, Ya (Tue Jul 27 2004 - 13:26:30 CDT)
Re: AMBER: question on simulated annealing Carlos Simmerling (Tue Jul 27 2004 - 13:28:27 CDT)
Re: AMBER: question on simulated annealing David A. Case (Tue Jul 27 2004 - 14:26:06 CDT)
AMBER: using ptraj Carsten Detering (Tue Jul 27 2004 - 16:10:02 CDT)
AMBER: about correlation calculation in ptraj jz7_at_duke.edu (Tue Jul 27 2004 - 16:20:53 CDT)
AMBER: animation? S. Frank Yan (Wed Jul 28 2004 - 01:29:51 CDT)
AMBER: PB bomb in pb_saarc steven.j.enoch_at_gsk.com (Wed Jul 28 2004 - 03:26:38 CDT)
Re: AMBER: PB bomb in pb_saarc steven.j.enoch_at_gsk.com (Wed Jul 28 2004 - 03:49:20 CDT)
AMBER: simulated annealing Abd Ghani Bin Abd Aziz (Wed Jul 28 2004 - 07:08:48 CDT)
Re: AMBER: simulated annealing Carlos Simmerling (Wed Jul 28 2004 - 07:17:55 CDT)
Re: AMBER: animation? Guanglei Cui (Wed Jul 28 2004 - 08:20:12 CDT)
Re: AMBER: animation? aldo jongejan (Wed Jul 28 2004 - 07:36:21 CDT)
Re: AMBER: simulated annealing Abd Ghani Bin Abd Aziz (Wed Jul 28 2004 - 08:22:37 CDT)
AMBER: simulated annealing.. Abd Ghani Bin Abd Aziz (Wed Jul 28 2004 - 08:45:55 CDT)
Re: AMBER: simulated annealing.. Carlos Simmerling (Wed Jul 28 2004 - 09:06:01 CDT)
AMBER: tleap: automatically identify and connect disulfide bonds? Raik Grünberg (Wed Jul 28 2004 - 12:27:31 CDT)
Re: AMBER: tleap: automatically identify and connect disulfide bonds? Scott Brozell (Wed Jul 28 2004 - 15:22:52 CDT)
AMBER: Re: AMBER: Temperature Regulation Dawsonzhu_at_aol.com (Wed Jul 28 2004 - 19:44:56 CDT)
AMBER: NSPSOL in parm file Sichun Yang (Wed Jul 28 2004 - 23:14:01 CDT)
Re: AMBER: NSPSOL in parm file David A. Case (Thu Jul 29 2004 - 10:07:54 CDT)
AMBER: ptraj: load crd without hydrogen (i.e. missing parm file) Raik Grünberg (Thu Jul 29 2004 - 05:34:44 CDT)
AMBER: umbrella sampling tang kwa (Thu Jul 29 2004 - 12:25:00 CDT)
Re: AMBER: umbrella sampling David A. Case (Thu Jul 29 2004 - 13:19:13 CDT)
Re: AMBER: tleap: automatically identify and connect disulfide bonds? Austin B. Yongye (Thu Jul 29 2004 - 08:13:46 CDT)
AMBER: Re: constant pH calculation in Amber8 John Mongan (Thu Jul 29 2004 - 16:40:36 CDT)
Re: AMBER: using ptraj Scott (Thu Jul 29 2004 - 16:15:17 CDT)
Re: AMBER: using ptraj Carsten Detering (Thu Jul 29 2004 - 17:11:11 CDT)
Re: AMBER: using ptraj Scott (Thu Jul 29 2004 - 17:48:19 CDT)
AMBER: csong_at_mail.sdu.edu.cn (Fri Jul 30 2004 - 04:08:40 CDT)
Re: AMBER: Guanglei Cui (Fri Jul 30 2004 - 08:39:51 CDT)
Re: AMBER: David A. Case (Fri Jul 30 2004 - 10:06:56 CDT)
AMBER: (no subject) HL Eastwood (Fri Jul 30 2004 - 10:47:18 CDT)
RE: AMBER: Ross Walker (Fri Jul 30 2004 - 10:46:52 CDT)
AMBER: WHAM program tang kwa (Fri Jul 30 2004 - 11:09:02 CDT)
RE: AMBER: (no subject) Ross Walker (Fri Jul 30 2004 - 11:21:33 CDT)
Re: AMBER: WHAM program David A. Case (Fri Jul 30 2004 - 12:16:02 CDT)
AMBER: AMBER 6 compilation problems! Grace Li (Fri Jul 30 2004 - 12:17:39 CDT)
Re: AMBER: AMBER 6 compilation problems! Carlos Simmerling (Fri Jul 30 2004 - 12:26:59 CDT)
RE: AMBER: AMBER 6 compilation problems! Ross Walker (Fri Jul 30 2004 - 12:30:54 CDT)
RE: AMBER: (no subject) HL Eastwood (Fri Jul 30 2004 - 13:12:34 CDT)
RE: AMBER: AMBER 6 compilation problems! Grace Li (Fri Jul 30 2004 - 13:52:15 CDT)
Re: AMBER: AMBER 6 compilation problems! Carlos Simmerling (Fri Jul 30 2004 - 14:03:31 CDT)
AMBER: Imaging problem Steve Seibold (Fri Jul 30 2004 - 14:05:12 CDT)
AMBER: lib file anita Pachaimuthu (Fri Jul 30 2004 - 15:09:19 CDT)
Re: AMBER: (no subject) David A. Case (Fri Jul 30 2004 - 15:42:15 CDT)
Re: AMBER: AMBER 6 compilation problems! Grace Li (Fri Jul 30 2004 - 15:42:03 CDT)
Re: AMBER: Imaging problem Thomas E. Cheatham, III (Fri Jul 30 2004 - 15:41:45 CDT)
Re: AMBER: lib file David A. Case (Fri Jul 30 2004 - 15:48:50 CDT)
Re: AMBER: lib file anita Pachaimuthu (Fri Jul 30 2004 - 16:08:18 CDT)
RE: AMBER: (no subject) Ross Walker (Fri Jul 30 2004 - 16:09:25 CDT)
Re: AMBER: lib file Furse, Kristina Elisabet (Fri Jul 30 2004 - 16:38:37 CDT)
Re: Re: AMBER: Chen (Fri Jul 30 2004 - 22:55:14 CDT)
Re: AMBER: tleap: automatically identify and connect disulfide bonds? Raik Grünberg (Mon Aug 02 2004 - 04:15:34 CDT)
Re: AMBER: ptraj: load crd without hydrogen (i.e. missing parm file) Raik Grünberg (Mon Aug 02 2004 - 04:30:56 CDT)
Re: AMBER: lib file anita Pachaimuthu (Mon Aug 02 2004 - 09:27:51 CDT)
AMBER: FW: Imaging problem Steve Seibold (Mon Aug 02 2004 - 15:32:37 CDT)
AMBER: recompiling amber8 Carsten Detering (Mon Aug 02 2004 - 19:57:19 CDT)
Re: AMBER: recompiling amber8 David A. Case (Mon Aug 02 2004 - 20:18:25 CDT)
Re: AMBER: recompiling amber8 Robert Duke (Mon Aug 02 2004 - 20:12:52 CDT)
AMBER: Minimum imaging Grace Li (Mon Aug 02 2004 - 22:21:50 CDT)
Re: AMBER: mm_pbsa Abmer8 example Holger Gohlke (Tue Aug 03 2004 - 01:39:06 CDT)
AMBER: charge not zero anshul_at_imtech.res.in (Tue Aug 03 2004 - 12:29:12 CDT)
AMBER: cpinutil.pl error Rukman Hertadi (Tue Aug 03 2004 - 06:22:59 CDT)
Re: AMBER: Minimum imaging David A. Case (Tue Aug 03 2004 - 09:25:47 CDT)
Re: AMBER: charge not zero FyD (Tue Aug 03 2004 - 09:46:54 CDT)
Re: AMBER: recompiling amber8 Carsten Detering (Tue Aug 03 2004 - 10:55:04 CDT)
Re: AMBER: recompiling amber8 Robert Duke (Tue Aug 03 2004 - 11:30:41 CDT)
AMBER: xleap problem fixed! HL Eastwood (Tue Aug 03 2004 - 12:20:21 CDT)
Re: AMBER: cpinutil.pl error John Mongan (Tue Aug 03 2004 - 13:03:40 CDT)
Re: AMBER: recompiling amber8 Xiao Jian Tan (Tue Aug 03 2004 - 13:02:12 CDT)
Re: AMBER: recompiling amber8 Viktor Hornak (Tue Aug 03 2004 - 15:31:00 CDT)
AMBER: mm_pbsa problem Carsten Detering (Tue Aug 03 2004 - 15:49:34 CDT)
AMBER: Problem: Installing Amber8 on PC with Windows XP Nhat-hang Duong (Tue Aug 03 2004 - 15:38:55 CDT)
AMBER: Re: Phosphoserine residue in AMBER David A. Case (Tue Aug 03 2004 - 16:23:20 CDT)
Re: AMBER: Problem: Installing Amber8 on PC with Windows XP fangyu liang (Tue Aug 03 2004 - 16:47:08 CDT)
Re: AMBER: Problem: Installing Amber8 on PC with Windows XP David A. Case (Tue Aug 03 2004 - 17:28:25 CDT)
Re: AMBER: mm_pbsa problem Ray Luo (Tue Aug 03 2004 - 18:18:48 CDT)
Re: AMBER: Minimum imaging Joseph Nachman (Wed Aug 04 2004 - 00:01:54 CDT)
AMBER: Bug and Patch in ANAL Andy Purkiss (Wed Aug 04 2004 - 10:38:30 CDT)
Re: AMBER: charge not zero anshul_at_imtech.res.in (Wed Aug 04 2004 - 22:48:11 CDT)
AMBER: RMSD result from GB model Yongzhi Chen (Wed Aug 04 2004 - 12:35:03 CDT)
AMBER: atoms not in residue templates Yongzhi Chen (Wed Aug 04 2004 - 12:53:08 CDT)
RE: AMBER: RMSD result from GB model Ross Walker (Wed Aug 04 2004 - 13:06:50 CDT)
AMBER: intense and spectrum Yaroslava Yingling (Wed Aug 04 2004 - 13:15:28 CDT)
Re: AMBER: charge not zero FyD (Wed Aug 04 2004 - 13:23:13 CDT)
RE: AMBER: atoms not in residue templates Ross Walker (Wed Aug 04 2004 - 13:26:55 CDT)
AMBER: RE: Hello Sir, Ross Walker (Wed Aug 04 2004 - 13:32:28 CDT)
Re: AMBER: charge not zero FyD (Wed Aug 04 2004 - 14:57:51 CDT)
AMBER: sander.QMMM: CHARGE keyword in divcon.in file M. L. Dodson (Wed Aug 04 2004 - 14:23:29 CDT)
RE: AMBER: sander.QMMM: CHARGE keyword in divcon.in file Ross Walker (Wed Aug 04 2004 - 15:48:08 CDT)
AMBER: A question about pheTI in AMBER8 test. Chunhu Tan (Wed Aug 04 2004 - 16:35:48 CDT)
Re: AMBER: A question about pheTI in AMBER8 test. David A. Case (Wed Aug 04 2004 - 18:38:52 CDT)
Re: AMBER: intense and spectrum David A. Case (Wed Aug 04 2004 - 18:41:13 CDT)
Re: AMBER: sander.QMMM: CHARGE keyword in divcon.in file M. L. Dodson (Wed Aug 04 2004 - 19:08:07 CDT)
Re: AMBER: RMSD result from GB model Marcin Krol (Thu Aug 05 2004 - 03:32:36 CDT)
AMBER: Angle parameters in phosphate groups Seongeun Yang (Thu Aug 05 2004 - 07:17:44 CDT)
Re: AMBER: Bug and Patch in ANAL David A. Case (Thu Aug 05 2004 - 10:44:38 CDT)
AMBER: How to covalently bind a ligand to a residue? Ozlem Demir (Thu Aug 05 2004 - 10:54:19 CDT)
AMBER: Using TIP4P water in free energy calculation Lijiang Yang (Thu Aug 05 2004 - 17:03:36 CDT)
Re: AMBER: sander.QMMM: CHARGE keyword in divcon.in file M. L. Dodson (Thu Aug 05 2004 - 17:30:20 CDT)
Re: AMBER: Using TIP4P water in free energy calculation David A. Case (Thu Aug 05 2004 - 17:35:22 CDT)
Re: AMBER: A question about pheTI in AMBER8 test. Chunhu Tan (Thu Aug 05 2004 - 17:56:56 CDT)
Re: AMBER: A question about pheTI in AMBER8 test. David A. Case (Thu Aug 05 2004 - 19:39:06 CDT)
AMBER: sander error Rukman Hertadi (Thu Aug 05 2004 - 23:33:41 CDT)
RE: AMBER: sander error Ross Walker (Thu Aug 05 2004 - 23:50:09 CDT)
Re: AMBER: How to covalently bind a ligand to a residue? Bimo Ario Tejo (Fri Aug 06 2004 - 00:06:02 CDT)
Re: AMBER: Using TIP4P water in free energy calculation Lijiang Yang (Fri Aug 06 2004 - 00:04:07 CDT)
AMBER: another cpinutil.pl error Rukman Hertadi (Fri Aug 06 2004 - 00:35:09 CDT)
Re: AMBER: How to covalently bind a ligand to a residue? david.evans_at_ulsop.ac.uk (Fri Aug 06 2004 - 03:11:39 CDT)
Re: AMBER: How to covalently bind a ligand to a residue? david.evans_at_ulsop.ac.uk (Fri Aug 06 2004 - 03:22:17 CDT)
Re: AMBER: Using TIP4P water in free energy calculation David A. Case (Fri Aug 06 2004 - 10:56:46 CDT)
Re: AMBER: another cpinutil.pl error David A. Case (Fri Aug 06 2004 - 10:58:46 CDT)
AMBER: AMBER7 plastocyanin tutorial problem. tarek mahfouz (Fri Aug 06 2004 - 12:40:33 CDT)
Re: AMBER: AMBER7 plastocyanin tutorial problem. Rhonda Torres (Fri Aug 06 2004 - 12:57:42 CDT)
AMBER: RE: about PME in Amber6 Ross Walker (Fri Aug 06 2004 - 13:37:06 CDT)
Re: AMBER: Using TIP4P water in free energy calculation Lijiang Yang (Fri Aug 06 2004 - 13:42:06 CDT)
Re: AMBER: AMBER7 plastocyanin tutorial problem. David A. Case (Fri Aug 06 2004 - 14:09:34 CDT)
AMBER: atomic positional fluctuation RAJA SWAMINATHAN (Sat Aug 07 2004 - 02:18:32 CDT)
AMBER: antechamber test mathew k varghese (Sun Aug 08 2004 - 07:31:22 CDT)
Re: AMBER: antechamber test David A. Case (Sun Aug 08 2004 - 11:40:34 CDT)
AMBER: Problems with Carnal coordinate average HL Eastwood (Mon Aug 09 2004 - 06:35:37 CDT)
AMBER: error while loading shared libraries: libcxa.so.5 Madalin Giambasu (Mon Aug 09 2004 - 08:54:00 CDT)
Re: AMBER: error while loading shared libraries: libcxa.so.5 Guanglei Cui (Mon Aug 09 2004 - 09:24:06 CDT)
Re: AMBER: error while loading shared libraries: libcxa.so.5 Mark Williamson (Mon Aug 09 2004 - 09:42:16 CDT)
AMBER: trival question about format of pev file and covariance matrix jz7_at_duke.edu (Mon Aug 09 2004 - 10:52:03 CDT)
AMBER: Sander sachin patil (Mon Aug 09 2004 - 11:24:59 CDT)
Re: AMBER: Sander David A. Case (Mon Aug 09 2004 - 11:57:40 CDT)
Re: AMBER: Problems with Carnal coordinate average Bill Ross (Mon Aug 09 2004 - 12:12:04 CDT)
AMBER: Adding residues yen li (Mon Aug 09 2004 - 12:47:44 CDT)
Re: AMBER: Sander sachin patil (Mon Aug 09 2004 - 13:26:20 CDT)
RE: AMBER: Adding residues Ross Walker (Mon Aug 09 2004 - 13:50:59 CDT)
Re: AMBER: Adding residues tarek mahfouz (Mon Aug 09 2004 - 13:51:26 CDT)
Re: AMBER: Adding residues Rhonda Torres (Mon Aug 09 2004 - 14:00:50 CDT)
AMBER: question about covariance matrix from ptraj jz7_at_duke.edu (Mon Aug 09 2004 - 14:25:10 CDT)
Re: AMBER: Adding residues Bill Ross (Mon Aug 09 2004 - 14:23:08 CDT)
AMBER: resp charge calculation for Fe+3 heme Sebastian Fernandez Alberti (Mon Aug 09 2004 - 14:45:18 CDT)
Re: AMBER: question about covariance matrix from ptraj Elijah Gregory (Mon Aug 09 2004 - 15:00:06 CDT)
Re: AMBER: resp charge calculation for Fe+3 heme James W. Caldwell (Mon Aug 09 2004 - 15:18:46 CDT)
Re: AMBER: Sander David A. Case (Mon Aug 09 2004 - 17:21:12 CDT)
AMBER: rdparm problem Lijiang Yang (Mon Aug 09 2004 - 17:43:10 CDT)
AMBER: perturb a water to a dummy water with shake Dr. Turgut Bastug (Mon Aug 09 2004 - 19:24:25 CDT)
AMBER: how to correct the charge of oligosaccharides Wen-Chi Tseng (Mon Aug 09 2004 - 21:28:25 CDT)
AMBER: pb_bomb in setgrd() steven.j.enoch_at_gsk.com (Tue Aug 10 2004 - 05:34:42 CDT)
Re: AMBER: how to correct the charge of oligosaccharides David A. Case (Tue Aug 10 2004 - 09:31:40 CDT)
Re: AMBER: how to correct the charge of oligosaccharides Karl N. Kirschner (Tue Aug 10 2004 - 09:53:29 CDT)
AMBER: Amber8 - LAM MPI Compilation problems Thomas Steinbrecher (Tue Aug 10 2004 - 11:16:38 CDT)
AMBER: RESP partial charge calculation Sebastian Fernandez Alberti (Tue Aug 10 2004 - 11:21:06 CDT)
Re: AMBER: pb_bomb in setgrd() Ray Luo (Tue Aug 10 2004 - 11:29:13 CDT)
RE: AMBER: Amber8 - LAM MPI Compilation problems Ross Walker (Tue Aug 10 2004 - 11:59:33 CDT)
Re: AMBER: RESP partial charge calculation James W. Caldwell (Tue Aug 10 2004 - 12:25:55 CDT)
Re: AMBER: RESP partial charge calculation FyD (Tue Aug 10 2004 - 12:46:16 CDT)
AMBER: unknown residue: ABA Guowen Han (Tue Aug 10 2004 - 13:31:25 CDT)
AMBER: Re: RED II and changepot FyD (Tue Aug 10 2004 - 13:35:05 CDT)
RE: AMBER: unknown residue: ABA Ross Walker (Tue Aug 10 2004 - 13:46:14 CDT)
Re: AMBER: unknown residue: ABA Bill Ross (Tue Aug 10 2004 - 14:20:36 CDT)
AMBER: Membrane protein simulation Gabbar Daaku (Tue Aug 10 2004 - 15:37:22 CDT)
AMBER: bugfix.all Lihua Wang (Tue Aug 10 2004 - 15:48:51 CDT)
Re: AMBER: unknown residue: ABA Lao_3 (Tue Aug 10 2004 - 16:45:27 CDT)
AMBER: Atomic charges in Lactose Johnson Agbo (Tue Aug 10 2004 - 19:23:53 CDT)
RE: AMBER: bugfix.all Ross Walker (Tue Aug 10 2004 - 19:54:25 CDT)
Re: AMBER: Membrane protein simulation David A. Case (Tue Aug 10 2004 - 20:06:57 CDT)
AMBER: From Andrew Box: Invitation and new email address box_twin2_at_hotmail.com (Tue Aug 10 2004 - 19:39:25 CDT)
AMBER: installing amber 8 on 64 bit amd opteron Dr Gavin Seddon (Wed Aug 11 2004 - 00:55:05 CDT)
AMBER: different cooling schedules for simulated annealing Madalin Giambasu (Wed Aug 11 2004 - 06:51:09 CDT)
Re: AMBER: Atomic charges in Lactose Karl N. Kirschner (Wed Aug 11 2004 - 07:47:46 CDT)
Re: AMBER: different cooling schedules for simulated annealing David A. Case (Wed Aug 11 2004 - 09:41:50 CDT)
AMBER: units Gustavo Pierdominici Sottile (Wed Aug 11 2004 - 10:03:38 CDT)
RE: AMBER: unknown residue: ABA Lao_3 (Wed Aug 11 2004 - 10:45:44 CDT)
Re: AMBER: different cooling schedules for simulated annealing Madalin Giambasu (Wed Aug 11 2004 - 11:23:08 CDT)
AMBER: RESP charge derivation Vlad Cojocaru (Wed Aug 11 2004 - 11:10:19 CDT)
AMBER: How to test the used parameters. tarek mahfouz (Wed Aug 11 2004 - 11:56:08 CDT)
Re: AMBER: RESP charge derivation FyD (Wed Aug 11 2004 - 11:55:57 CDT)
Re: AMBER: How to test the used parameters. Bill Ross (Wed Aug 11 2004 - 12:31:28 CDT)
RE: AMBER: How to test the used parameters. Ross Walker (Wed Aug 11 2004 - 12:33:56 CDT)
AMBER: opteron 64 bit workstation sachin patil (Wed Aug 11 2004 - 13:59:33 CDT)
AMBER: parameter Gustavo Pierdominici Sottile (Wed Aug 11 2004 - 15:45:02 CDT)
Re: AMBER: parameter Guanglei Cui (Wed Aug 11 2004 - 16:07:18 CDT)
AMBER: Amber 8 Installation - C compiler? Nhat-hang Duong (Wed Aug 11 2004 - 16:51:51 CDT)
Re: AMBER: Amber 8 Installation - C compiler? fangyu liang (Wed Aug 11 2004 - 19:23:03 CDT)
RE: AMBER: Amber 8 Installation - C compiler? Ross Walker (Wed Aug 11 2004 - 19:37:45 CDT)
Re: AMBER: Amber 8 Installation - C compiler? Do Anh Tuan (Thu Aug 12 2004 - 00:28:37 CDT)
Re: AMBER: how to correct the charge of oligosaccharides Wen-Chi Tseng (Thu Aug 12 2004 - 04:16:38 CDT)
AMBER: Gaussian in RED Vlad Cojocaru (Thu Aug 12 2004 - 07:37:05 CDT)
AMBER: Angle parameters in phosphate groups Seongeun Yang (Thu Aug 12 2004 - 08:29:02 CDT)
Re: AMBER: Angle parameters in phosphate groups Guanglei Cui (Thu Aug 12 2004 - 09:18:06 CDT)
Re: AMBER: different cooling schedules for simulated annealing David A. Case (Thu Aug 12 2004 - 09:55:45 CDT)
Re: AMBER: units David A. Case (Thu Aug 12 2004 - 09:56:09 CDT)
AMBER: ptraj -- velocities set to zero? Gabbar Daaku (Thu Aug 12 2004 - 10:53:04 CDT)
AMBER: minimization output file format Marsita M (Thu Aug 12 2004 - 12:51:35 CDT)
AMBER: bending Gustavo Pierdominici Sottile (Thu Aug 12 2004 - 14:28:42 CDT)
RE: AMBER: minimization output file format Ross Walker (Thu Aug 12 2004 - 14:43:02 CDT)
Re: AMBER: bending David A. Case (Thu Aug 12 2004 - 14:48:30 CDT)
Re: AMBER: opteron 64 bit workstation David A. Case (Thu Aug 12 2004 - 14:55:13 CDT)
AMBER: bending Gustavo Pierdominici Sottile (Thu Aug 12 2004 - 15:47:16 CDT)
AMBER: question about compilation of AMBER8 on MANDRAKE9.2 Madalin Giambasu (Fri Aug 13 2004 - 05:02:57 CDT)
RE: AMBER: question about compilation of AMBER8 on MANDRAKE9.2 Niko Jukarainen (Fri Aug 13 2004 - 05:09:10 CDT)
AMBER: RED fails to read g94 output Vlad Cojocaru (Fri Aug 13 2004 - 05:35:20 CDT)
AMBER: Amber: xleap crash Helios (Fri Aug 13 2004 - 07:00:30 CDT)
AMBER: RED BUG!!!!...perhaps I fixed it Vlad Cojocaru (Fri Aug 13 2004 - 07:34:50 CDT)
AMBER: RED BUG!!! Vlad Cojocaru (Fri Aug 13 2004 - 07:56:25 CDT)
AMBER: Antechamber and dummy atoms Perdita Barran (Fri Aug 13 2004 - 08:03:44 CDT)
Re: AMBER: Antechamber and dummy atoms David A. Case (Fri Aug 13 2004 - 09:49:49 CDT)
RE: AMBER: Amber: xleap crash Ross Walker (Fri Aug 13 2004 - 11:23:50 CDT)
AMBER: pmemd config.h request for athlon Madalin Giambasu (Fri Aug 13 2004 - 12:47:53 CDT)
Re: AMBER: Antechamber and dummy atoms Oliver Hucke (Fri Aug 13 2004 - 12:55:57 CDT)
RE: AMBER: pmemd config.h request for athlon Ross Walker (Fri Aug 13 2004 - 13:09:15 CDT)
Re: AMBER: pmemd config.h request for athlon Robert Duke (Fri Aug 13 2004 - 13:40:05 CDT)
Re: AMBER: pmemd config.h request for athlon Robert Duke (Fri Aug 13 2004 - 13:42:42 CDT)
AMBER: Temp control ding (Fri Aug 13 2004 - 13:46:20 CDT)
AMBER: pmemd problems Florian Barth (Fri Aug 13 2004 - 13:52:22 CDT)
Re: AMBER: pmemd problems Robert Duke (Fri Aug 13 2004 - 14:14:39 CDT)
AMBER: Moil-view, prmtop, inpcrd question opitz_at_che.udel.edu (Fri Aug 13 2004 - 15:08:33 CDT)
Re: AMBER: Temp control David A. Case (Fri Aug 13 2004 - 15:13:20 CDT)
Re: AMBER: Moil-view, prmtop, inpcrd question opitz_at_che.udel.edu (Fri Aug 13 2004 - 15:28:26 CDT)
Re: AMBER: Moil-view, prmtop, inpcrd question Viktor Hornak (Fri Aug 13 2004 - 15:20:14 CDT)
Re: AMBER: Moil-view, prmtop, inpcrd question Viktor Hornak (Fri Aug 13 2004 - 15:41:27 CDT)
Re: AMBER: Moil-view, prmtop, inpcrd question opitz_at_che.udel.edu (Fri Aug 13 2004 - 16:08:27 CDT)
Re: AMBER: Moil-view, prmtop, inpcrd question Viktor Hornak (Fri Aug 13 2004 - 16:22:30 CDT)
AMBER: Bug: ptraj adds spurious box information Don Bashford (Fri Aug 13 2004 - 15:27:54 CDT)
Re: AMBER: Moil-view, prmtop, inpcrd question David A. Case (Fri Aug 13 2004 - 17:07:42 CDT)
Re: AMBER: Bug: ptraj adds spurious box information David A. Case (Fri Aug 13 2004 - 17:13:33 CDT)
Re: AMBER: Gaussian in RED FyD (Sat Aug 14 2004 - 00:16:30 CDT)
Re: AMBER: RED fails to read g94 output FyD (Sat Aug 14 2004 - 00:34:21 CDT)
Re: AMBER: RED fails to read g94 output FyD (Sat Aug 14 2004 - 03:26:33 CDT)
AMBER: simulated annealing Lee SL (Sat Aug 14 2004 - 04:51:14 CDT)
Re: AMBER: Angle parameters in phosphate groups Seongeun Yang (Sat Aug 14 2004 - 04:58:07 CDT)
RE: AMBER: simulated annealing Lee SL (Sat Aug 14 2004 - 05:40:54 CDT)
Re: AMBER: simulated annealing Carlos Simmerling (Sat Aug 14 2004 - 07:20:12 CDT)
Re: AMBER: Moil-view, prmtop, inpcrd question Carlos Simmerling (Sat Aug 14 2004 - 07:13:23 CDT)
AMBER: residue database Lihua Wang (Sat Aug 14 2004 - 16:55:59 CDT)
AMBER: About the Amber constraint constant Yuhui Cheng (Sun Aug 15 2004 - 03:12:50 CDT)
Re: AMBER: simulated annealing nurul bahiyah (Sun Aug 15 2004 - 07:42:53 CDT)
Re: AMBER: Angle parameters in phosphate groups Guanglei Cui (Sun Aug 15 2004 - 09:08:29 CDT)
Re: AMBER: Angle parameters in phosphate groups David A. Case (Sun Aug 15 2004 - 17:59:51 CDT)
Re: AMBER: About the Amber constraint constant David A. Case (Sun Aug 15 2004 - 18:07:11 CDT)
Re: AMBER: Angle parameters in phosphate groups Seongeun Yang (Mon Aug 16 2004 - 01:04:16 CDT)
AMBER: installing amber8 Dr Gavin Seddon (Mon Aug 16 2004 - 04:20:20 CDT)
RE: AMBER: pmemd. Osman Gani (Mon Aug 16 2004 - 08:03:15 CDT)
AMBER: ANAL memory problem. Osman Gani (Mon Aug 16 2004 - 08:16:15 CDT)
Re: AMBER: pmemd. Robert Duke (Mon Aug 16 2004 - 09:33:21 CDT)
Re: AMBER: pmemd. - OOPS!!! Robert Duke (Mon Aug 16 2004 - 09:45:03 CDT)
Re: AMBER: pmemd. David E. Konerding (Mon Aug 16 2004 - 11:27:02 CDT)
Re: AMBER: question about compilation of AMBER8 on MANDRAKE9.2 Sarah Rankin (Mon Aug 16 2004 - 12:14:38 CDT)
RE: AMBER: question about compilation of AMBER8 on MANDRAKE9.2 Ross Walker (Mon Aug 16 2004 - 13:13:09 CDT)
Re: AMBER: Moil-view, prmtop, inpcrd question opitz_at_che.udel.edu (Mon Aug 16 2004 - 13:17:35 CDT)
Re: AMBER: Moil-view, prmtop, inpcrd question Viktor Hornak (Mon Aug 16 2004 - 13:45:08 CDT)
AMBER: temperature control in coupled potential runs M. L. Dodson (Mon Aug 16 2004 - 14:05:49 CDT)
Re: AMBER: Moil-view, prmtop, inpcrd question opitz_at_che.udel.edu (Mon Aug 16 2004 - 14:18:50 CDT)
Re: AMBER: Moil-view, prmtop, inpcrd question Viktor Hornak (Mon Aug 16 2004 - 14:26:27 CDT)
Re: AMBER: Moil-view, prmtop, inpcrd question opitz_at_che.udel.edu (Mon Aug 16 2004 - 14:51:30 CDT)
AMBER: Improving PMEMD performance on gigabit ethernet Linux clusters Robert Duke (Mon Aug 16 2004 - 16:17:45 CDT)
Re: AMBER: ANAL memory problem. David A. Case (Mon Aug 16 2004 - 20:34:22 CDT)
AMBER: Amber: Anal program format Helios (Tue Aug 17 2004 - 01:15:57 CDT)
Re: AMBER: About the Amber constraint constant Yuhui Cheng (Tue Aug 17 2004 - 01:34:24 CDT)
Re: AMBER: question about compilation of AMBER8 on MANDRAKE9.2 Sarah Rankin (Tue Aug 17 2004 - 03:18:30 CDT)
AMBER: peoblemwith RED II anshul_at_imtech.res.in (Tue Aug 17 2004 - 14:15:30 CDT)
RE: AMBER: ANAL memory problem. Osman Gani (Tue Aug 17 2004 - 05:38:42 CDT)
AMBER: Improving PMEMD Performance on gigabit ethernet - CORRECTION Robert Duke (Tue Aug 17 2004 - 07:42:33 CDT)
Re: AMBER: About the Amber constraint constant David A. Case (Tue Aug 17 2004 - 10:08:04 CDT)
Re: AMBER: Amber: Anal program format David A. Case (Tue Aug 17 2004 - 11:14:31 CDT)
Re: AMBER: ANAL memory problem. David A. Case (Tue Aug 17 2004 - 11:33:03 CDT)
AMBER: leap: impose Guanglei Cui (Tue Aug 17 2004 - 13:44:04 CDT)
Re: AMBER: leap: impose Guanglei Cui (Tue Aug 17 2004 - 14:23:27 CDT)
Re: AMBER: leap: impose Guanglei Cui (Tue Aug 17 2004 - 15:15:27 CDT)
AMBER: RESP calculation with different multiplicities Sebastian Fernandez Alberti (Tue Aug 17 2004 - 15:44:54 CDT)
AMBER: turning off HB interactions Taner E. Dirama (Tue Aug 17 2004 - 15:12:34 CDT)
AMBER: Dr. Herman Von Grafenstein Harsh Parikh (Tue Aug 17 2004 - 18:43:06 CDT)
AMBER: mm-gbsa Oliver Hucke (Tue Aug 17 2004 - 18:59:21 CDT)
AMBER: intrinsic born radius of Br Oliver Hucke (Tue Aug 17 2004 - 20:33:18 CDT)
AMBER: thermal ellipsoid-DNA RAJA SWAMINATHAN (Thu Aug 19 2004 - 04:29:34 CDT)
AMBER: angle bending Gustavo Pierdominici Sottile (Thu Aug 19 2004 - 07:31:21 CDT)
AMBER: metal atoms in Xleap Atilio Anzellotti (Thu Aug 19 2004 - 10:05:23 CDT)
RE: AMBER: metal atoms in Xleap Ross Walker (Thu Aug 19 2004 - 11:59:28 CDT)
Re: AMBER: metal atoms in Xleap Rhonda Torres (Thu Aug 19 2004 - 11:57:04 CDT)
RE: AMBER: angle bending Ross Walker (Thu Aug 19 2004 - 12:09:52 CDT)
AMBER: how to read in CHARMM or AMBER binary trajectories Grace Li (Thu Aug 19 2004 - 13:19:48 CDT)
RE: AMBER: how to read in CHARMM or AMBER binary trajectories Ross Walker (Thu Aug 19 2004 - 13:30:59 CDT)
AMBER: can MM-PBSA be applied to Charmm format trajectory file? jz7_at_duke.edu (Thu Aug 19 2004 - 13:55:06 CDT)
RE: AMBER: can MM-PBSA be applied to Charmm format trajectory file? Ross Walker (Thu Aug 19 2004 - 14:02:50 CDT)
AMBER: mmpbsa question Sébastien Osborne (Thu Aug 19 2004 - 14:58:42 CDT)
AMBER: born radius and screening parameter for Br Oliver Hucke (Thu Aug 19 2004 - 17:58:44 CDT)
AMBER: questions on mm_pbsa cailliez (Fri Aug 20 2004 - 07:13:51 CDT)
Re: AMBER: metal atoms in Xleap Atilio Anzellotti (Fri Aug 20 2004 - 13:43:51 CDT)
AMBER: Updating Amber 7 Johnson Agbo (Fri Aug 20 2004 - 13:52:23 CDT)
Re: AMBER: metal atoms in Xleap Jiri Sponer (Fri Aug 20 2004 - 14:04:32 CDT)
AMBER: mm_pbsa.pl in Amber8 Shan, Jufang (Fri Aug 20 2004 - 14:13:54 CDT)
Re: AMBER: Atomic charges in Lactose Johnson Agbo (Fri Aug 20 2004 - 14:35:48 CDT)
AMBER: Minimization error opitz_at_che.udel.edu (Fri Aug 20 2004 - 14:43:31 CDT)
Re: AMBER: metal atoms in Xleap Atilio Anzellotti (Fri Aug 20 2004 - 15:25:47 CDT)
RE: AMBER: Minimization error Ross Walker (Fri Aug 20 2004 - 17:48:27 CDT)
AMBER: Increasing MAXATOM in antechamber Niko Jukarainen (Sat Aug 21 2004 - 04:45:08 CDT)
Re: AMBER: questions on mm_pbsa Thomas Steinbrecher (Sat Aug 21 2004 - 06:59:46 CDT)
Re: AMBER: Increasing MAXATOM in antechamber Guanglei Cui (Sat Aug 21 2004 - 10:07:10 CDT)
Re: AMBER: Increasing MAXATOM in antechamber Niko Jukarainen (Sat Aug 21 2004 - 11:13:56 CDT)
Re: AMBER: mm_pbsa.pl in Amber8 Sarah Rankin (Mon Aug 23 2004 - 05:00:21 CDT)
AMBER: Sander : Vrand flag sachin patil (Mon Aug 23 2004 - 12:59:30 CDT)
RE: AMBER: Sander : Vrand flag Ross Walker (Mon Aug 23 2004 - 13:20:15 CDT)
RE: AMBER: Sander : Vrand flag sachin patil (Mon Aug 23 2004 - 14:07:32 CDT)
RE: AMBER: Sander : Vrand flag Ross Walker (Mon Aug 23 2004 - 14:29:06 CDT)
RE: AMBER: Sander : Vrand flag sachin patil (Mon Aug 23 2004 - 14:54:52 CDT)
AMBER: error estimates in AMBER Grace Li (Mon Aug 23 2004 - 15:43:14 CDT)
RE: AMBER: Sander : Vrand flag Ross Walker (Mon Aug 23 2004 - 15:58:15 CDT)
AMBER: NTT=0 and TAUTP Gabbar Daaku (Mon Aug 23 2004 - 17:25:26 CDT)
RE: AMBER: NTT=0 and TAUTP Ross Walker (Mon Aug 23 2004 - 18:03:30 CDT)
AMBER: how to deal with the initial structure? hj zou (Mon Aug 23 2004 - 20:48:22 CDT)
RE: AMBER: how to deal with the initial structure? Ross Walker (Mon Aug 23 2004 - 21:19:23 CDT)
AMBER: problem loading pdb in leap. anshul_at_imtech.res.in (Tue Aug 24 2004 - 09:52:05 CDT)
RE: AMBER: problem loading pdb in leap. Ross Walker (Mon Aug 23 2004 - 23:53:49 CDT)
RE: AMBER: problem loading pdb in leap. anshul_at_imtech.res.in (Tue Aug 24 2004 - 11:34:58 CDT)
RE: AMBER: problem loading pdb in leap. Andrew Box (Tue Aug 24 2004 - 01:30:46 CDT)
AMBER: freezing atoms in impliciti solvent Sergio E. Wong (Tue Aug 24 2004 - 12:27:32 CDT)
RE: AMBER: problem loading pdb in leap. Ross Walker (Tue Aug 24 2004 - 12:35:08 CDT)
Re: AMBER: freezing atoms in impliciti solvent Carlos Simmerling (Tue Aug 24 2004 - 12:54:58 CDT)
RE: AMBER: Sander : Vrand flag Furse, Kristina Elisabet (Tue Aug 24 2004 - 13:47:38 CDT)
Re: AMBER: how to deal with the initial structure? Furse, Kristina Elisabet (Tue Aug 24 2004 - 14:29:39 CDT)
Re: AMBER: Minimization error opitz_at_che.udel.edu (Tue Aug 24 2004 - 16:09:15 CDT)
AMBER: Trajectory file conversion between Amber & Charmm CK Sim (Tue Aug 24 2004 - 15:42:19 CDT)
RE: AMBER: Trajectory file conversion between Amber & Charmm Ross Walker (Tue Aug 24 2004 - 18:51:17 CDT)
AMBER: mutation of Tyr to Leu with TI Oliver Hucke (Tue Aug 24 2004 - 18:56:47 CDT)
Re: AMBER: mutation of Tyr to Leu with TI Thomas Steinbrecher (Wed Aug 25 2004 - 02:17:34 CDT)
AMBER: density calculation in AMBER output Grace Li (Wed Aug 25 2004 - 08:51:47 CDT)
AMBER: restart a MD after replacing molecules cailliez (Wed Aug 25 2004 - 09:03:41 CDT)
AMBER: Amber 8 - Energy Minimization Parameters Nhat-hang Duong (Wed Aug 25 2004 - 10:34:28 CDT)
RE: AMBER: Amber 8 - Energy Minimization Parameters Ross Walker (Wed Aug 25 2004 - 11:02:31 CDT)
RE: AMBER: density calculation in AMBER output Ross Walker (Wed Aug 25 2004 - 12:11:02 CDT)
RE: AMBER: Minimization error Ross Walker (Wed Aug 25 2004 - 12:23:13 CDT)
RE: AMBER: restart a MD after replacing molecules Ross Walker (Wed Aug 25 2004 - 12:29:13 CDT)
AMBER: Lennard-Jones particle simulation Guanglei Cui (Wed Aug 25 2004 - 14:38:57 CDT)
Re: AMBER: Lennard-Jones particle simulation Thomas E. Cheatham, III (Wed Aug 25 2004 - 15:05:58 CDT)
Re: AMBER: Lennard-Jones particle simulation Carlos Simmerling (Wed Aug 25 2004 - 15:06:47 CDT)
Re: AMBER: Lennard-Jones particle simulation darden (Wed Aug 25 2004 - 15:57:15 CDT)
RE: AMBER: Amber 8 - Energy Minimization Parameters Nhat-hang Duong (Wed Aug 25 2004 - 15:26:56 CDT)
Re: AMBER: Minimization error opitz_at_che.udel.edu (Wed Aug 25 2004 - 15:55:24 CDT)
Re: AMBER: Lennard-Jones particle simulation Guanglei Cui (Wed Aug 25 2004 - 16:11:37 CDT)
Re: AMBER: Lennard-Jones particle simulation Piotr Cieplak (Wed Aug 25 2004 - 17:31:37 CDT)
RE: AMBER: Minimization error Ross Walker (Wed Aug 25 2004 - 17:35:18 CDT)
AMBER: About tree structure of TRP residue Yuhui Cheng (Wed Aug 25 2004 - 18:46:36 CDT)
Re: AMBER: About tree structure of TRP residue Lihua Wang (Wed Aug 25 2004 - 19:16:46 CDT)
Re: AMBER: About tree structure of TRP residue Yuhui Cheng (Wed Aug 25 2004 - 19:35:13 CDT)
Re: AMBER: About tree structure of TRP residue Bill Ross (Wed Aug 25 2004 - 19:56:13 CDT)
AMBER: One more question about the tree structure of looping residues Yuhui Cheng (Wed Aug 25 2004 - 22:11:36 CDT)
Re: AMBER: restart a MD after replacing molecules cailliez (Thu Aug 26 2004 - 03:38:55 CDT)
AMBER: ptraj and hbond Nelson Fonseca (Thu Aug 26 2004 - 04:50:39 CDT)
AMBER: problem loading molecule in leap anshul_at_imtech.res.in (Thu Aug 26 2004 - 15:38:44 CDT)
AMBER: Amber8 - Floating point Nhat-hang Duong (Thu Aug 26 2004 - 08:28:24 CDT)
Re: AMBER: Amber8 - Floating point Carlos Simmerling (Thu Aug 26 2004 - 09:00:52 CDT)
Re: AMBER: Amber8 - Floating point Nhat-hang Duong (Thu Aug 26 2004 - 09:15:00 CDT)
Re: AMBER: Amber8 - Floating point Carlos Simmerling (Thu Aug 26 2004 - 09:25:31 CDT)
AMBER: question on minimization Venkata S Koppuravuri (Thu Aug 26 2004 - 10:41:48 CDT)
Re: AMBER: peoblemwith RED II FyD (Thu Aug 26 2004 - 10:44:16 CDT)
Re: AMBER: Amber8 - Floating point Michael Crowley (Thu Aug 26 2004 - 10:56:06 CDT)
Re: AMBER: Amber8 - Floating point Nhat-hang Duong (Thu Aug 26 2004 - 11:51:28 CDT)
AMBER: RESP charges in Fe+3 heme system Sebastian Fernandez Alberti (Thu Aug 26 2004 - 12:43:08 CDT)
Re: AMBER: RESP calculation with different multiplicities FyD (Thu Aug 26 2004 - 13:09:18 CDT)
Re: AMBER: One more question about the tree structure of looping residues Bill Ross (Thu Aug 26 2004 - 13:31:23 CDT)
Re: AMBER: RESP charges in Fe+3 heme system FyD (Thu Aug 26 2004 - 13:33:09 CDT)
AMBER: charge perturbation - xleap question Oliver Hucke (Thu Aug 26 2004 - 13:57:43 CDT)
Re: AMBER: charge perturbation - xleap question Thomas Steinbrecher (Fri Aug 27 2004 - 02:19:25 CDT)
AMBER: Biotin/streptavidin tutorial. Osman Gani (Fri Aug 27 2004 - 04:57:51 CDT)
Re: AMBER: peoblemwith RED II FyD (Fri Aug 27 2004 - 05:02:37 CDT)
AMBER: error for performing MD tang kwa (Fri Aug 27 2004 - 06:51:00 CDT)
AMBER: snapshots of MD trajectory Xin Hu (Fri Aug 27 2004 - 10:23:08 CDT)
Re: AMBER: snapshots of MD trajectory Guanglei Cui (Fri Aug 27 2004 - 10:27:20 CDT)
Re: AMBER: snapshots of MD trajectory Peter Gannett (Fri Aug 27 2004 - 10:43:33 CDT)
Re: AMBER: snapshots of MD trajectory Carlos Simmerling (Fri Aug 27 2004 - 10:36:38 CDT)
Re: AMBER: snapshots of MD trajectory Xin Hu (Fri Aug 27 2004 - 11:36:06 CDT)
AMBER: error of performing simulation tang kwa (Fri Aug 27 2004 - 12:07:21 CDT)
Re: AMBER: Biotin/streptavidin tutorial. Bill Ross (Fri Aug 27 2004 - 12:57:47 CDT)
Re: AMBER: snapshots of MD trajectory Guanglei Cui (Fri Aug 27 2004 - 14:38:44 CDT)
Re: AMBER: snapshots of MD trajectory Carlos Simmerling (Fri Aug 27 2004 - 14:44:36 CDT)
Re: AMBER: Minimization error opitz_at_che.udel.edu (Fri Aug 27 2004 - 15:56:46 CDT)
Re: AMBER: snapshots of MD trajectory Xin Hu (Fri Aug 27 2004 - 16:15:27 CDT)
AMBER: Neutral C and N termini. tarek mahfouz (Fri Aug 27 2004 - 17:58:18 CDT)
Re: AMBER: peoblemwith RED II FyD (Sat Aug 28 2004 - 04:52:20 CDT)
AMBER: nonpalar energy contribution-DMSO Dalmaris, John (Sat Aug 28 2004 - 09:11:43 CDT)
RE: AMBER: Minimization error Ross Walker (Sat Aug 28 2004 - 14:34:31 CDT)
AMBER: MD & net charge bybaker_at_itsa.ucsf.edu (Sun Aug 29 2004 - 01:19:18 CDT)
AMBER: Neutral C and N termini. tarek mahfouz (Sun Aug 29 2004 - 18:37:19 CDT)
Re: AMBER: Neutral C and N termini. M. L. Dodson (Sun Aug 29 2004 - 21:14:10 CDT)
AMBER: temperature scaling with ntt=3(Langevin thermostat) Madalin Giambasu (Mon Aug 30 2004 - 03:01:05 CDT)
Re: AMBER: MD & net charge Carlos Simmerling (Mon Aug 30 2004 - 08:23:20 CDT)
Re: AMBER: MD & net charge Chris Harrison (Mon Aug 30 2004 - 08:28:46 CDT)
Re: AMBER: temperature scaling with ntt=3(Langevin thermostat) Carlos Simmerling (Mon Aug 30 2004 - 08:21:36 CDT)
Re: AMBER: temperature scaling with ntt=3(Langevin thermostat) Madalin Giambasu (Mon Aug 30 2004 - 08:51:35 CDT)
Re: AMBER: MD & net charge Carlos Simmerling (Mon Aug 30 2004 - 08:41:21 CDT)
Re: AMBER: temperature scaling with ntt=3(Langevin thermostat) Carlos Simmerling (Mon Aug 30 2004 - 08:51:28 CDT)
AMBER: Amber 03 Forcefield discrepancy MD Tyka, Biochemistry (Mon Aug 30 2004 - 09:36:18 CDT)
Re: AMBER: temperature scaling with ntt=3(Langevin thermostat) Madalin Giambasu (Mon Aug 30 2004 - 09:47:55 CDT)
AMBER: Differences in RESP charges for G in RG and DG residues Vlad Cojocaru (Mon Aug 30 2004 - 10:59:35 CDT)
Re: AMBER: Amber 03 Forcefield discrepancy Yong Duan (Mon Aug 30 2004 - 13:16:21 CDT)
Re: AMBER: MD & net charge bybaker_at_itsa.ucsf.edu (Mon Aug 30 2004 - 15:48:00 CDT)
Re: AMBER: MD & net charge Carlos Simmerling (Mon Aug 30 2004 - 15:57:50 CDT)
AMBER: jwcraft_at_uh.edu (Mon Aug 30 2004 - 14:54:46 CDT)
Re: AMBER: Bill Ross (Mon Aug 30 2004 - 16:33:38 CDT)
Re: AMBER: MD & net charge bybaker_at_itsa.ucsf.edu (Mon Aug 30 2004 - 17:02:53 CDT)
AMBER: Glycam-04 Parameters in Amber 7 Johnson Agbo (Mon Aug 30 2004 - 20:12:17 CDT)
AMBER: parm94 bybaker_at_itsa.ucsf.edu (Tue Aug 31 2004 - 01:50:09 CDT)
AMBER: Using AMBER to simulate carbon nanotubes? Chen Song (Tue Aug 31 2004 - 05:54:26 CDT)
Re: AMBER: parm94 Asim Okur (Tue Aug 31 2004 - 08:12:58 CDT)
RE: AMBER: Sander : Vrand flag sachin patil (Tue Aug 31 2004 - 09:15:37 CDT)
Re: AMBER: Using AMBER to simulate carbon nanotubes? darden (Tue Aug 31 2004 - 10:43:56 CDT)
AMBER: Increase lastrst in the &cntrl namelist Sichun Yang (Tue Aug 31 2004 - 11:06:46 CDT)
Re: AMBER: parm94 bybaker_at_itsa.ucsf.edu (Tue Aug 31 2004 - 11:21:00 CDT)
AMBER: PBC in sander Mingfeng Yang (Tue Aug 31 2004 - 15:27:26 CDT)
AMBER: Pulling versus Distance Restraints Nhat-hang Duong (Tue Aug 31 2004 - 16:16:15 CDT)
Re: AMBER: parm94 bybaker_at_itsa.ucsf.edu (Tue Aug 31 2004 - 17:15:04 CDT)
Re: AMBER: parm94 Lihua Wang (Tue Aug 31 2004 - 17:22:29 CDT)
Re: AMBER: parm94 bybaker_at_itsa.ucsf.edu (Tue Aug 31 2004 - 20:57:39 CDT)
Re: AMBER: PBC in sander David A. Case (Tue Aug 31 2004 - 22:57:49 CDT)
Re: AMBER: David A. Case (Tue Aug 31 2004 - 22:56:27 CDT)
Re: AMBER: Updating Amber 7 David A. Case (Tue Aug 31 2004 - 23:00:46 CDT)
Re: AMBER: temperature scaling with ntt=3(Langevin thermostat) David A. Case (Tue Aug 31 2004 - 23:43:01 CDT)
Re: AMBER: Increase lastrst in the &cntrl namelist David A. Case (Tue Aug 31 2004 - 23:53:20 CDT)
Re: AMBER: Increase lastrst in the &cntrl namelist Sichun Yang (Wed Sep 01 2004 - 01:29:27 CDT)
RE: AMBER: Increase lastrst in the &cntrl namelist Osman Gani (Wed Sep 01 2004 - 01:51:32 CDT)
AMBER: question on mm-pbsa cailliez (Wed Sep 01 2004 - 04:48:54 CDT)
AMBER: [0] MPI Abort by user Aborting program ! tang kwa (Wed Sep 01 2004 - 07:07:51 CDT)
AMBER: Setting up thermodynamic integration david.evans_at_ulsop.ac.uk (Wed Sep 01 2004 - 09:31:10 CDT)
Re: AMBER: [0] MPI Abort by user Aborting program ! Melinda Layten (Wed Sep 01 2004 - 10:04:15 CDT)
AMBER: Re. HSG Convention jwcraft_at_uh.edu (Wed Sep 01 2004 - 10:48:41 CDT)
Re: AMBER: Re. HSG Convention David A. Case (Wed Sep 01 2004 - 11:01:44 CDT)
Re: AMBER: Pulling versus Distance Restraints Furse, Kristina Elisabet (Wed Sep 01 2004 - 12:08:49 CDT)
Re: AMBER: Setting up thermodynamic integration david.evans_at_ulsop.ac.uk (Wed Sep 01 2004 - 12:24:40 CDT)
RE: AMBER: Increase lastrst in the &cntrl namelist Sichun Yang (Wed Sep 01 2004 - 12:19:18 CDT)
Re: AMBER: About tree structure of TRP residue David A. Case (Wed Sep 01 2004 - 12:48:34 CDT)
Re: AMBER: Increase lastrst in the &cntrl namelist Carlos Simmerling (Wed Sep 01 2004 - 12:54:37 CDT)
Re: AMBER: Increase lastrst in the &cntrl namelist David A. Case (Wed Sep 01 2004 - 13:22:07 CDT)
Re: AMBER: question on mm-pbsa Holger Gohlke (Wed Sep 01 2004 - 13:55:50 CDT)
AMBER: parameters-DGnp John (Wed Sep 01 2004 - 19:25:03 CDT)
AMBER: error in installing amber8 anshul_at_imtech.res.in (Thu Sep 02 2004 - 17:37:12 CDT)
Re: AMBER: error in installing amber8 David A. Case (Thu Sep 02 2004 - 10:31:02 CDT)
Re: AMBER: error in installing amber8 Scott Brozell (Thu Sep 02 2004 - 10:56:50 CDT)
AMBER: loading frcmod.mod_phipsi.1 bybaker_at_itsa.ucsf.edu (Thu Sep 02 2004 - 16:12:04 CDT)
AMBER: Water Box & MD bybaker_at_itsa.ucsf.edu (Thu Sep 02 2004 - 16:48:00 CDT)
Re: AMBER: loading frcmod.mod_phipsi.1 Bill Ross (Thu Sep 02 2004 - 17:07:44 CDT)
Re: AMBER: loading frcmod.mod_phipsi.1 bybaker_at_itsa.ucsf.edu (Thu Sep 02 2004 - 17:18:07 CDT)
Re: AMBER: Differences in RESP charges for G in RG and DG residues FyD (Sat Sep 04 2004 - 05:12:33 CDT)
AMBER: Amber7 tleap problem Ed Pate (Sat Sep 04 2004 - 14:03:47 CDT)
Re: AMBER: Amber7 tleap problem David A. Case (Sat Sep 04 2004 - 15:11:39 CDT)
AMBER: general questions Marsita M (Mon Sep 06 2004 - 10:58:34 CDT)
AMBER: Electrostatic potential from the trajectory ! Pradipta Bandyopadhyay (Tue Sep 07 2004 - 06:40:09 CDT)
Re: AMBER: general questions Stefano.Pieraccini_at_unimi.it (Tue Sep 07 2004 - 06:11:01 CDT)
AMBER: is it a bug in mmpbsa Shan, Jufang (Tue Sep 07 2004 - 09:29:27 CDT)
AMBER: xLeap menus not working properly Hannes Barsch (Wed Sep 08 2004 - 03:14:38 CDT)
Re: AMBER: xLeap menus not working properly Heike.Meiselbach_at_chemie.uni-erlangen.de (Wed Sep 08 2004 - 04:19:13 CDT)
Re: AMBER: error in installing amber8 anshul_at_imtech.res.in (Wed Sep 08 2004 - 16:39:27 CDT)
RE: AMBER: Electrostatic potential from the trajectory ! Ross Walker (Wed Sep 08 2004 - 06:32:58 CDT)
AMBER: Spike in energy and RMS Balvinder Singh (Wed Sep 08 2004 - 17:49:04 CDT)
AMBER: Amber: BOMB Helios (Wed Sep 08 2004 - 07:18:11 CDT)
RE: AMBER: Spike in energy and RMS Ross Walker (Wed Sep 08 2004 - 09:37:26 CDT)
Re: AMBER: error in installing amber8 Bill Ross (Wed Sep 08 2004 - 09:49:11 CDT)
RE: AMBER: Amber: BOMB Ross Walker (Wed Sep 08 2004 - 09:42:53 CDT)
Re: AMBER: Amber: BOMB David A. Case (Wed Sep 08 2004 - 09:55:04 CDT)
Re: AMBER: error in installing amber8 David A. Case (Wed Sep 08 2004 - 11:23:04 CDT)
AMBER: REST Yanze Zhang (Wed Sep 08 2004 - 15:09:31 CDT)
Re: AMBER: REST Melinda Layten (Wed Sep 08 2004 - 15:51:30 CDT)
AMBER: Nucgen and PNA? opitz_at_che.udel.edu (Wed Sep 08 2004 - 16:14:42 CDT)
Re: AMBER: Nucgen and PNA? Rhonda Torres (Wed Sep 08 2004 - 16:22:30 CDT)
AMBER: Antechamber Failure Johnson Agbo (Wed Sep 08 2004 - 16:56:58 CDT)
Re: AMBER: Antechamber Failure David A. Case (Wed Sep 08 2004 - 17:48:41 CDT)
AMBER: Amber:how to increase the memory allocation? Helios (Wed Sep 08 2004 - 22:35:14 CDT)
Re: AMBER: Spike in energy and RMS Andreas Svrcek-Seiler (Thu Sep 09 2004 - 04:37:57 CDT)
Re: AMBER: Nucgen and PNA? opitz_at_che.udel.edu (Thu Sep 09 2004 - 08:36:25 CDT)
Re: AMBER: Amber:how to increase the memory allocation? David A. Case (Thu Sep 09 2004 - 10:38:12 CDT)
AMBER: REM make test Sergio E. Wong (Thu Sep 09 2004 - 17:50:50 CDT)
AMBER: MAC Based Beowulf Cluster Peter Gannett (Thu Sep 09 2004 - 18:17:14 CDT)
Re: AMBER: REM make test David A. Case (Thu Sep 09 2004 - 18:40:13 CDT)
Re: AMBER: REM make test Sergio E. Wong (Thu Sep 09 2004 - 19:55:49 CDT)
AMBER: GB and langevin dynamics Sergio E. Wong (Fri Sep 10 2004 - 00:41:18 CDT)
AMBER: make install error Abd Ghani Bin Abd Aziz (Fri Sep 10 2004 - 06:21:15 CDT)
AMBER: How many ions? Volodymyr Zloy (Fri Sep 10 2004 - 06:23:38 CDT)
AMBER: Monte Carlo simulation tang kwa (Fri Sep 10 2004 - 07:15:35 CDT)
AMBER: MPICH problem Abd Ghani Bin Abd Aziz (Fri Sep 10 2004 - 07:33:45 CDT)
Re: AMBER: REM make test Carlos Simmerling (Fri Sep 10 2004 - 08:35:18 CDT)
AMBER: Test Calculation of atomic charges (RESP) for RNA bases Vlad Cojocaru (Fri Sep 10 2004 - 08:41:26 CDT)
AMBER: re:your message to amber... hj zou (Fri Sep 10 2004 - 08:46:58 CDT)
AMBER: Amber7 - mm_pbsa/molsurf Nadine Homeyer (Fri Sep 10 2004 - 07:25:20 CDT)
Re: AMBER: Test Calculation of atomic charges (RESP) for RNA bases Piotr Cieplak (Fri Sep 10 2004 - 12:28:25 CDT)
Re: AMBER: Amber7 - mm_pbsa/molsurf Oliver Hucke (Fri Sep 10 2004 - 13:03:57 CDT)
Re: AMBER: Monte Carlo simulation David A. Case (Fri Sep 10 2004 - 16:56:20 CDT)
RE: AMBER: make install error Ross Walker (Fri Sep 10 2004 - 17:41:02 CDT)
Re: AMBER: Test Calculation of atomic charges (RESP) for RNA bases FyD (Fri Sep 10 2004 - 19:35:09 CDT)
AMBER: An question about PTRAJ b86203054_at_ntu.edu.tw (Fri Sep 10 2004 - 20:29:17 CDT)
Re: AMBER: An question about PTRAJ Stef (Sat Sep 11 2004 - 03:01:52 CDT)
AMBER: make install error Abd Ghani Bin Abd Aziz (Sat Sep 11 2004 - 04:56:40 CDT)
Re: AMBER: An question about PTRAJ Thomas E. Cheatham, III (Sat Sep 11 2004 - 14:06:05 CDT)
RE: AMBER: MPICH problem Ross Walker (Sun Sep 12 2004 - 05:12:05 CDT)
RE: AMBER: make install error Ross Walker (Sun Sep 12 2004 - 05:15:03 CDT)
RE: AMBER: make install error Abd Ghani Bin Abd Aziz (Sun Sep 12 2004 - 06:25:19 CDT)
Re: AMBER: make install error Robert Duke (Sun Sep 12 2004 - 06:52:48 CDT)
Re: AMBER: make install error Abd Ghani Bin Abd Aziz (Sun Sep 12 2004 - 07:40:42 CDT)
Re: AMBER: make install error Robert Duke (Sun Sep 12 2004 - 07:46:30 CDT)
Re: AMBER: make install error Abd Ghani Bin Abd Aziz (Sun Sep 12 2004 - 07:53:52 CDT)
Re: AMBER: Test Calculation of atomic charges (RESP) for RNA bases Vlad Cojocaru (Mon Sep 13 2004 - 05:10:48 CDT)
AMBER: mmpbsa: can not generate coordinates/snapshots Magne Olufsen (Mon Sep 13 2004 - 05:37:54 CDT)
AMBER: AMBER7 : update gaff and parm99 force field Guillaume Bollot (Mon Sep 13 2004 - 08:35:01 CDT)
AMBER: Compilation Problem in Amber 7 Stephen P. Molnar, Ph.D. (Mon Sep 13 2004 - 10:54:27 CDT)
AMBER: AMBER7 : Hybrid macromolecule Guillaume Bollot (Mon Sep 13 2004 - 10:54:28 CDT)
Re: AMBER: AMBER7 : Hybrid macromolecule david.evans_at_ulsop.ac.uk (Mon Sep 13 2004 - 11:30:43 CDT)
Re: AMBER: An question about PTRAJ b86203054_at_ntu.edu.tw (Mon Sep 13 2004 - 12:37:00 CDT)
Re: AMBER: An question about PTRAJ b86203054_at_ntu.edu.tw (Mon Sep 13 2004 - 12:35:51 CDT)
Re: AMBER: AMBER7 : update gaff and parm99 force field David A. Case (Mon Sep 13 2004 - 14:59:12 CDT)
Re: AMBER: GB and langevin dynamics David A. Case (Mon Sep 13 2004 - 14:59:31 CDT)
AMBER: target rmsd William Andrew McLaughlin (Mon Sep 13 2004 - 15:35:51 CDT)
Re: AMBER: target rmsd Carlos Simmerling (Mon Sep 13 2004 - 15:49:30 CDT)
Re: AMBER: target rmsd Viktor Hornak (Mon Sep 13 2004 - 15:57:07 CDT)
Re: AMBER: target rmsd William Andrew McLaughlin (Mon Sep 13 2004 - 16:40:24 CDT)
Re: AMBER: Test Calculation of atomic charges (RESP) for RNA bases FyD (Mon Sep 13 2004 - 16:59:11 CDT)
Re: AMBER: target rmsd Viktor Hornak (Mon Sep 13 2004 - 17:15:56 CDT)
RE: AMBER: Compilation Problem in Amber 7 Ross Walker (Mon Sep 13 2004 - 23:05:35 CDT)
AMBER: bond between two polypeptides Jagdish Rai (Tue Sep 14 2004 - 03:19:48 CDT)
AMBER: mm_pbsa for Delphi Helios Chen (Tue Sep 14 2004 - 04:28:28 CDT)
AMBER: Re: to Francois Vlad Cojocaru (Tue Sep 14 2004 - 06:35:13 CDT)
AMBER: MM binding energy with ANAL Ben Cossins (Tue Sep 14 2004 - 07:56:37 CDT)
AMBER: amber 8 Abd Ghani Bin Abd Aziz (Tue Sep 14 2004 - 08:17:56 CDT)
RE: AMBER: amber 8 Ross Walker (Tue Sep 14 2004 - 10:09:31 CDT)
RE: AMBER: amber 8 Abd Ghani Bin Abd Aziz (Tue Sep 14 2004 - 10:28:47 CDT)
Re: AMBER: make install error Abd Ghani Bin Abd Aziz (Tue Sep 14 2004 - 10:23:37 CDT)
RE: AMBER: amber 8 Ross Walker (Tue Sep 14 2004 - 10:40:26 CDT)
Re: AMBER: bond between two polypeptides David A. Case (Tue Sep 14 2004 - 11:20:23 CDT)
AMBER: want to generate ammonium ion..where to start? Grace Li (Tue Sep 14 2004 - 11:48:20 CDT)
AMBER: TI with sander Oliver Hucke (Tue Sep 14 2004 - 13:58:01 CDT)
Re: AMBER: TI with sander David A. Case (Tue Sep 14 2004 - 14:20:49 CDT)
AMBER: Restraints in sander.QMMM Joseph Fernandez (Tue Sep 14 2004 - 15:54:07 CDT)
AMBER: restrain on the distance between two molecules. Qiang Lu (Tue Sep 14 2004 - 16:18:00 CDT)
Re: AMBER: restrain on the distance between two molecules. Nhat-hang Duong (Tue Sep 14 2004 - 16:34:49 CDT)
Re: AMBER: Restraints in sander.QMMM David A. Case (Tue Sep 14 2004 - 17:21:07 CDT)
AMBER: nmode Carsten Detering (Tue Sep 14 2004 - 17:29:49 CDT)
Re: AMBER: MM binding energy with ANAL David A. Case (Tue Sep 14 2004 - 17:32:48 CDT)
Re: AMBER: nmode David A. Case (Tue Sep 14 2004 - 18:13:14 CDT)
AMBER: Intel Fortran Compiler Problem Stephen P. Molnar, Ph.D. (Wed Sep 15 2004 - 09:52:55 CDT)
Re: AMBER: Intel Fortran Compiler Problem Viktor Hornak (Wed Sep 15 2004 - 09:33:44 CDT)
AMBER: F90 compiler for linux ppc64 Guanglei Cui (Wed Sep 15 2004 - 09:42:12 CDT)
Re: AMBER: Intel Fortran Compiler Problem Stephen P. Molnar, Ph.D. (Wed Sep 15 2004 - 10:13:49 CDT)
AMBER: principal axis Alberto Perez (Wed Sep 15 2004 - 08:36:37 CDT)
Re: AMBER: Intel Fortran Compiler Problem Robert Duke (Wed Sep 15 2004 - 09:52:50 CDT)
Re: AMBER: Intel Fortran Compiler Problem Viktor Hornak (Wed Sep 15 2004 - 09:52:04 CDT)
Re: AMBER: Intel Fortran Compiler Problem Stephen P. Molnar, Ph.D. (Wed Sep 15 2004 - 10:38:11 CDT)
AMBER: bond constraints in nmode richard dimelow (Wed Sep 15 2004 - 10:15:05 CDT)
Re: AMBER: Intel Fortran Compiler Problem Viktor Hornak (Wed Sep 15 2004 - 10:18:01 CDT)
Re: AMBER: F90 compiler for linux ppc64 Carlos P. Sosa (Wed Sep 15 2004 - 10:10:32 CDT)
Re: AMBER: Intel Fortran Compiler Problem Robert Duke (Wed Sep 15 2004 - 10:30:11 CDT)
Re: AMBER: F90 compiler for linux ppc64 Guanglei Cui (Wed Sep 15 2004 - 10:28:17 CDT)
Re: AMBER: Intel Fortran Compiler Problem Robert Duke (Wed Sep 15 2004 - 10:38:03 CDT)
Re: AMBER: principal axis Thomas E. Cheatham, III (Wed Sep 15 2004 - 10:41:37 CDT)
Re: AMBER: Intel Fortran Compiler Problem Stephen P. Molnar, Ph.D. (Wed Sep 15 2004 - 11:23:30 CDT)
Re: AMBER: bond constraints in nmode David A. Case (Wed Sep 15 2004 - 11:03:09 CDT)
AMBER: md problem Volodymyr Zloy (Wed Sep 15 2004 - 11:03:29 CDT)
Re: AMBER: Intel Fortran Compiler Problem David A. Case (Wed Sep 15 2004 - 11:08:04 CDT)
Re: AMBER: Intel Fortran Compiler Problem Robert Duke (Wed Sep 15 2004 - 11:12:46 CDT)
Re: AMBER: R.E.D. II to Vlad FyD (Wed Sep 15 2004 - 11:25:44 CDT)
AMBER: A tool for building coordinates of huge macromolecules Hwankyu Lee (Wed Sep 15 2004 - 11:28:19 CDT)
Re: AMBER: A tool for building coordinates of huge macromolecules Joachim Reichelt (Wed Sep 15 2004 - 11:37:05 CDT)
Re: AMBER: GB and langevin dynamics Sergio E. Wong (Wed Sep 15 2004 - 14:38:43 CDT)
Re: AMBER: md problem Furse, Kristina Elisabet (Wed Sep 15 2004 - 14:53:23 CDT)
AMBER: back interpret Joshua Hicks (Wed Sep 15 2004 - 16:49:57 CDT)
Re: AMBER: GB and langevin dynamics David A. Case (Wed Sep 15 2004 - 17:01:31 CDT)
Re: AMBER: back interpret Carlos Simmerling (Wed Sep 15 2004 - 17:08:40 CDT)
Re: AMBER: back interpret David A. Case (Wed Sep 15 2004 - 17:23:18 CDT)
AMBER: Sander TI with NTR = 1. Chunhu Tan (Wed Sep 15 2004 - 18:33:47 CDT)
RE: AMBER: md problem Ross Walker (Thu Sep 16 2004 - 09:43:19 CDT)
AMBER: VDWAALS error during minimisation anita pachaimuthu (Thu Sep 16 2004 - 09:42:34 CDT)
Re: AMBER: Sander TI with NTR = 1. David A. Case (Thu Sep 16 2004 - 09:56:48 CDT)
RE: AMBER: VDWAALS error during minimisation Ross Walker (Thu Sep 16 2004 - 10:20:34 CDT)
AMBER: extra points richard dimelow (Thu Sep 16 2004 - 11:21:05 CDT)
AMBER: restraining internal coordinates Taner E. Dirama (Thu Sep 16 2004 - 11:53:51 CDT)
Re: AMBER: restraining internal coordinates Carlos Simmerling (Thu Sep 16 2004 - 12:04:14 CDT)
Re: AMBER: extra points David A. Case (Thu Sep 16 2004 - 12:26:09 CDT)
AMBER: Force Compiling AMBER8 for an SGI O2 Justin Sanders (Thu Sep 16 2004 - 13:34:12 CDT)
RE: AMBER: Intel Fortran Compiler Problem Ross Walker (Thu Sep 16 2004 - 23:00:30 CDT)
AMBER: amber8 performance problem on Itanium II's Sergio E. Wong (Thu Sep 16 2004 - 23:18:47 CDT)
Re: AMBER: amber8 performance problem on Itanium II's Andreas Svrcek-Seiler (Fri Sep 17 2004 - 03:52:53 CDT)
AMBER: Amber 7 Compiling Problem Stephen P. Molnar, Ph.D. (Fri Sep 17 2004 - 10:33:15 CDT)
AMBER: Problem with MacroMolecule to AMBER7 Guillaume Bollot (Fri Sep 17 2004 - 10:56:22 CDT)
Re: AMBER: Problem with MacroMolecule to AMBER7 Sébastien Osborne (Fri Sep 17 2004 - 11:04:48 CDT)
Re: AMBER: Amber 7 Compiling Problem David A. Case (Fri Sep 17 2004 - 11:29:58 CDT)
AMBER: PMEMD Greg Kellogg (Fri Sep 17 2004 - 11:20:00 CDT)
Re: AMBER: PMEMD Robert Duke (Fri Sep 17 2004 - 11:56:01 CDT)
Re: AMBER: Amber 7 Compiling Problem Stephen P. Molnar, Ph.D. (Fri Sep 17 2004 - 12:33:47 CDT)
Re: AMBER: Amber 7 Compiling Problem David A. Case (Fri Sep 17 2004 - 12:23:23 CDT)
Re: AMBER: Amber 7 Compiling Problem Stephen P. Molnar, Ph.D. (Fri Sep 17 2004 - 13:24:52 CDT)
Re: AMBER: Amber 7 Compiling Problem Stephen P. Molnar, Ph.D. (Fri Sep 17 2004 - 13:32:02 CDT)
Re: AMBER: amber8 performance problem on Itanium II's Sergio E. Wong (Fri Sep 17 2004 - 13:23:18 CDT)
AMBER: Moil-view & Amber trajectory opitz_at_che.udel.edu (Fri Sep 17 2004 - 15:41:42 CDT)
Re: AMBER: Moil-view & Amber trajectory Carlos Simmerling (Fri Sep 17 2004 - 16:01:37 CDT)
Re: AMBER: Moil-view & Amber trajectory Thomas E. Cheatham, III (Fri Sep 17 2004 - 16:23:14 CDT)
AMBER: mm_pbsa nmode problem Fang, Jianwen (Fri Sep 17 2004 - 17:28:47 CDT)
AMBER: Re: Delphi PATH question hj zou (Sat Sep 18 2004 - 01:22:08 CDT)
AMBER: about PARALLEL run on SGI. Ji Changge (Sat Sep 18 2004 - 01:47:38 CDT)
AMBER: About binding energy Xiao He (Sat Sep 18 2004 - 10:08:54 CDT)
Re: AMBER: About binding energy Oliver Hucke (Sat Sep 18 2004 - 23:53:36 CDT)
AMBER: More details about free energy Xiao He (Sun Sep 19 2004 - 03:02:53 CDT)
AMBER: ifort installation mathew k varghese (Sun Sep 19 2004 - 03:46:57 CDT)
Re: AMBER: ifort installation Nhat-hang Duong (Sun Sep 19 2004 - 14:03:32 CDT)
Re: AMBER: about PARALLEL run on SGI. David A. Case (Sun Sep 19 2004 - 19:49:30 CDT)
AMBER: Questions on simulating dendrimer in AMBER. Hwankyu Lee (Sun Sep 19 2004 - 22:21:03 CDT)
AMBER: The question about SAS calculation in MM_PBSA Jack Lei (Mon Sep 20 2004 - 12:19:29 CDT)
RE: AMBER: Trajectory file conversion between Amber & Charmm CK Sim (Mon Sep 20 2004 - 12:45:09 CDT)
Re: AMBER: Trajectory file conversion between Amber & Charmm Carlos Simmerling (Mon Sep 20 2004 - 12:59:41 CDT)
RE: AMBER: md problem Volodymyr Zloy (Mon Sep 20 2004 - 13:05:25 CDT)
RE: AMBER: Trajectory file conversion between Amber & Charmm Thomas E. Cheatham, III (Mon Sep 20 2004 - 13:18:46 CDT)
AMBER: RESP problem... FyD (Mon Sep 20 2004 - 14:59:04 CDT)
AMBER: sander8 compile: myrinet and mpigm Guanglei Cui (Mon Sep 20 2004 - 15:42:14 CDT)
Re: AMBER: Moil-view & Amber trajectory opitz_at_che.udel.edu (Mon Sep 20 2004 - 16:59:39 CDT)
AMBER: about MM-PBSA Xiao He (Tue Sep 21 2004 - 00:40:16 CDT)
RE: AMBER: about MM-PBSA S. Frank Yan (Tue Sep 21 2004 - 00:59:02 CDT)
Re: RE: AMBER: about MM-PBSA Xiao He (Tue Sep 21 2004 - 02:49:24 CDT)
Re: AMBER: about MM-PBSA Ray Luo (Mon Sep 20 2004 - 21:26:52 CDT)
Re: AMBER: Moil-view & Amber trajectory Carlos Simmerling (Tue Sep 21 2004 - 11:17:59 CDT)
AMBER: Ptraj data Steve Seibold (Tue Sep 21 2004 - 13:13:49 CDT)
Re: AMBER: Ptraj data Viktor Hornak (Tue Sep 21 2004 - 13:43:44 CDT)
Re: AMBER: Ptraj data Thomas E. Cheatham, III (Tue Sep 21 2004 - 13:59:58 CDT)
AMBER: MAXRING Antechamber problem Karl N. Kirschner (Tue Sep 21 2004 - 14:37:44 CDT)
RE: AMBER: MAXRING Antechamber problem Ross Walker (Tue Sep 21 2004 - 14:49:51 CDT)
Re: AMBER: Ptraj data Elijah Gregory (Tue Sep 21 2004 - 17:04:45 CDT)
AMBER: Question about Parallel Compilation David LeBard (Tue Sep 21 2004 - 18:12:54 CDT)
Re: Re: AMBER: about MM-PBSA Xiao He (Tue Sep 21 2004 - 22:44:51 CDT)
AMBER: amber8 installation mathew k varghese (Wed Sep 22 2004 - 02:07:50 CDT)
AMBER: all_nucleic02 and all_nucleic94 Vlad Cojocaru (Wed Sep 22 2004 - 05:40:10 CDT)
Re: AMBER: amber8 installation Andreas Svrcek-Seiler (Wed Sep 22 2004 - 06:05:02 CDT)
AMBER: Re: Re: Delphi PATH question hj zou (Wed Sep 22 2004 - 08:40:23 CDT)
AMBER: amber8 tests mathew k varghese (Wed Sep 22 2004 - 09:30:09 CDT)
AMBER: all_nucleic94 versus all_nucleic02 Vlad Cojocaru (Wed Sep 22 2004 - 10:15:12 CDT)
Re: AMBER: all_nucleic94 versus all_nucleic02 Jiten (Wed Sep 22 2004 - 10:45:36 CDT)
Re: AMBER: Re: Re: Delphi PATH question Xiao He (Wed Sep 22 2004 - 10:47:47 CDT)
RE: AMBER: all_nucleic94 versus all_nucleic02 Ross Walker (Wed Sep 22 2004 - 10:53:49 CDT)
AMBER: building parameters with Amber Amber admin (Wed Sep 22 2004 - 11:41:38 CDT)
Re: AMBER: Question about Parallel Compilation David A. Case (Wed Sep 22 2004 - 11:49:02 CDT)
Re: AMBER: all_nucleic02 and all_nucleic94 David A. Case (Wed Sep 22 2004 - 11:59:01 CDT)
AMBER: compressed files Jessica Koplin (Wed Sep 22 2004 - 11:56:27 CDT)
RE: AMBER: all_nucleic94 versus all_nucleic02 Ross Walker (Wed Sep 22 2004 - 12:11:21 CDT)
RE: AMBER: compressed files Ross Walker (Wed Sep 22 2004 - 12:20:18 CDT)
Re: AMBER: The question about SAS calculation in MM_PBSA David A. Case (Wed Sep 22 2004 - 13:29:52 CDT)
Re: AMBER: building parameters with Amber Furse, Kristina Elisabet (Wed Sep 22 2004 - 13:36:41 CDT)
Re: AMBER: amber8 tests David A. Case (Wed Sep 22 2004 - 13:28:34 CDT)
AMBER: mm_pbsa.pl nmode entropy estimating problem jwfang (Wed Sep 22 2004 - 14:30:21 CDT)
RE: AMBER: MAXRING Antechamber problem Karl N. Kirschner (Wed Sep 22 2004 - 15:17:31 CDT)
Re: AMBER: mm_pbsa.pl nmode entropy estimating problem David A. Case (Wed Sep 22 2004 - 15:29:04 CDT)
Re: AMBER: Question about Parallel Compilation David LeBard (Wed Sep 22 2004 - 21:49:47 CDT)
AMBER: RESTARTED DUE TO LINMIN FAILURE ... ying xiong (Thu Sep 23 2004 - 03:24:13 CDT)
AMBER: Jiten (Thu Sep 23 2004 - 03:44:49 CDT)
Re: AMBER: RESTARTED DUE TO LINMIN FAILURE ... cailliez (Thu Sep 23 2004 - 03:42:31 CDT)
AMBER: replica exchange with thermodynamic integration david.evans_at_ulsop.ac.uk (Thu Sep 23 2004 - 06:18:44 CDT)
AMBER: trajectory Wen Li (Thu Sep 23 2004 - 08:35:21 CDT)
AMBER: question about J. Am. Chem. Soc. 2001, 123, 5221 paper jwfang (Thu Sep 23 2004 - 10:15:36 CDT)
AMBER: Amber job submission using PBS Jiten (Thu Sep 23 2004 - 10:44:39 CDT)
Re: AMBER: Amber job submission using PBS Guanglei Cui (Thu Sep 23 2004 - 10:52:01 CDT)
Re: AMBER: Amber job submission using PBS Jiten (Thu Sep 23 2004 - 11:11:41 CDT)
Re: AMBER: Amber job submission using PBS Guanglei Cui (Thu Sep 23 2004 - 11:20:30 CDT)
Re: AMBER: Amber job submission using PBS Jiten (Thu Sep 23 2004 - 11:57:35 CDT)
Re: AMBER: Amber job submission using PBS Jiten (Thu Sep 23 2004 - 12:04:36 CDT)
RE: AMBER: Ross Walker (Thu Sep 23 2004 - 12:36:45 CDT)
RE: AMBER: Amber job submission using PBS Ross Walker (Thu Sep 23 2004 - 12:44:04 CDT)
Re: AMBER: Amber job submission using PBS Guanglei Cui (Thu Sep 23 2004 - 12:49:35 CDT)
Re: AMBER: Amber job submission using PBS Thomas E. Cheatham, III (Thu Sep 23 2004 - 12:59:00 CDT)
RE: AMBER: Amber job submission using PBS Bill Ross (Thu Sep 23 2004 - 14:18:37 CDT)
AMBER: Amber 8 installation error on Xeon 2-CPU Kei ODAI (Thu Sep 23 2004 - 18:11:15 CDT)
RE: AMBER: Amber 8 installation error on Xeon 2-CPU Ross Walker (Thu Sep 23 2004 - 18:32:49 CDT)
AMBER: ptraj problem Marsita M (Thu Sep 23 2004 - 18:53:53 CDT)
Re: AMBER: Amber 8 installation error on Xeon 2-CPU Bill Ross (Thu Sep 23 2004 - 19:17:17 CDT)
AMBER: about mm_pbsa parameter Xiao He (Thu Sep 23 2004 - 22:56:04 CDT)
Re: AMBER: Amber job submission using PBS Jiten (Thu Sep 23 2004 - 23:05:39 CDT)
Re: AMBER: Amber job submission using PBS Jiten (Thu Sep 23 2004 - 23:09:06 CDT)
Re: AMBER: Amber job submission using PBS Jiten (Fri Sep 24 2004 - 01:21:27 CDT)
AMBER: nbflag cailliez (Fri Sep 24 2004 - 01:44:22 CDT)
AMBER: phosphoserine library component jwcraft_at_uh.edu (Fri Sep 24 2004 - 09:01:28 CDT)
Re: AMBER: phosphoserine library component Jiten (Fri Sep 24 2004 - 09:25:24 CDT)
Re: AMBER: nbflag David A. Case (Fri Sep 24 2004 - 10:15:20 CDT)
Re: AMBER: phosphoserine library component David A. Case (Fri Sep 24 2004 - 10:25:10 CDT)
Re: AMBER: nbflag cailliez (Fri Sep 24 2004 - 10:20:13 CDT)
Re: AMBER: replica exchange with thermodynamic integration David A. Case (Fri Sep 24 2004 - 10:44:01 CDT)
Re: AMBER: about mm_pbsa parameter Oliver Hucke (Fri Sep 24 2004 - 10:49:22 CDT)
AMBER: regular ewald sum in Amber8 Jianwen Jiang (Fri Sep 24 2004 - 11:15:34 CDT)
Re: AMBER: phosphoserine library component FyD (Fri Sep 24 2004 - 12:10:40 CDT)
AMBER: Parameters for Inosine yuqin cai (Fri Sep 24 2004 - 13:51:40 CDT)
Re: AMBER: regular ewald sum in Amber8 David A. Case (Fri Sep 24 2004 - 14:12:30 CDT)
AMBER: Question Amber8 install errer with Windows Amber admin (Fri Sep 24 2004 - 14:46:06 CDT)
Re: AMBER: Parameters for Inosine Jiri Sponer (Fri Sep 24 2004 - 15:02:59 CDT)
Re: AMBER: Question Amber8 install errer with Windows David A. Case (Fri Sep 24 2004 - 15:41:18 CDT)
AMBER: nmode error Xiao He (Fri Sep 24 2004 - 21:17:24 CDT)
AMBER: Analysis mm_pbsa result Xiao He (Fri Sep 24 2004 - 21:53:08 CDT)
AMBER: minimization problem hj zou (Sat Sep 25 2004 - 04:30:11 CDT)
AMBER: output of mm_pbsa.log Xiao He (Sat Sep 25 2004 - 04:30:16 CDT)
AMBER: Abd Ghani Bin Abd Aziz (Sat Sep 25 2004 - 05:16:39 CDT)
Re: AMBER: minimization problem David A. Case (Sat Sep 25 2004 - 13:43:49 CDT)
Re: AMBER: nmode error David A. Case (Sat Sep 25 2004 - 13:44:37 CDT)
AMBER: radius of gyration Marsita M (Sat Sep 25 2004 - 21:13:25 CDT)
Re: AMBER: radius of gyration Sanjeev B.S. (Sat Sep 25 2004 - 22:28:32 CDT)
Re: AMBER: radius of gyration Marsita M (Sun Sep 26 2004 - 01:40:24 CDT)
Re: AMBER: radius of gyration Sanjeev B.S. (Sun Sep 26 2004 - 02:04:51 CDT)
AMBER: amber 8 error on installation Abd Ghani Bin Abd Aziz (Sun Sep 26 2004 - 07:55:07 CDT)
Re: AMBER: amber 8 error on installation Carlos Simmerling (Sun Sep 26 2004 - 08:24:08 CDT)
Re: AMBER: amber 8 error on installation Abd Ghani Bin Abd Aziz (Sun Sep 26 2004 - 08:47:04 CDT)
AMBER: dihedral hj zou (Sun Sep 26 2004 - 20:08:20 CDT)
Re: AMBER: dihedral Thomas E. Cheatham, III (Sun Sep 26 2004 - 21:13:42 CDT)
Re: AMBER: radius of gyration Bill Ross (Sun Sep 26 2004 - 22:41:58 CDT)
Re: AMBER: radius of gyration Bill Ross (Sun Sep 26 2004 - 22:49:40 CDT)
AMBER: Atom distance bybaker_at_itsa.ucsf.edu (Mon Sep 27 2004 - 01:59:05 CDT)
Re: AMBER: Atom distance Tomas Linhart (Mon Sep 27 2004 - 02:12:59 CDT)
AMBER: Principal Component Analysis Vlad Cojocaru (Mon Sep 27 2004 - 07:09:50 CDT)
AMBER: unformatted md problem richard dimelow (Mon Sep 27 2004 - 08:13:40 CDT)
AMBER: Great help:Analysis mm_pbsa result Xiao He (Mon Sep 27 2004 - 09:44:03 CDT)
Re: AMBER: unformatted md problem David A. Case (Mon Sep 27 2004 - 10:06:05 CDT)
AMBER: how to visualize modes from PCA Vlad Cojocaru (Mon Sep 27 2004 - 11:05:35 CDT)
Re: AMBER: how to visualize modes from PCA Carlos Simmerling (Mon Sep 27 2004 - 11:13:10 CDT)
AMBER: Amber-7:Bugfix.47 sachin patil (Mon Sep 27 2004 - 14:32:21 CDT)
Re: AMBER: Amber-7:Bugfix.47 David A. Case (Mon Sep 27 2004 - 15:20:20 CDT)
RE: AMBER: Amber-7:Bugfix.47 Ross Walker (Mon Sep 27 2004 - 15:34:36 CDT)
Re: AMBER: Atom distance bybaker_at_itsa.ucsf.edu (Mon Sep 27 2004 - 15:39:49 CDT)
Re: AMBER: Atom distance Thomas E. Cheatham, III (Mon Sep 27 2004 - 15:48:11 CDT)
AMBER: intramolecular energies Guanglei Cui (Mon Sep 27 2004 - 16:17:11 CDT)
Re: AMBER: intramolecular energies David A. Case (Mon Sep 27 2004 - 18:27:25 CDT)
AMBER: Re: Atom distance bybaker_at_itsa.ucsf.edu (Mon Sep 27 2004 - 20:21:20 CDT)
Re: AMBER: intramolecular energies Guanglei Cui (Mon Sep 27 2004 - 20:55:41 CDT)
Re: AMBER: intramolecular energies David A. Case (Tue Sep 28 2004 - 10:43:11 CDT)
Re: AMBER: intramolecular energies Guanglei Cui (Tue Sep 28 2004 - 11:11:10 CDT)
AMBER: question about delphi and UHBD xhu1_at_memphis.edu (Tue Sep 28 2004 - 11:19:32 CDT)
Re: AMBER: intramolecular energies David A. Case (Tue Sep 28 2004 - 12:11:57 CDT)
Re: AMBER: intramolecular energies Guanglei Cui (Tue Sep 28 2004 - 12:38:16 CDT)
AMBER: Ahammadunny Pathiaseril (Tue Sep 28 2004 - 13:05:44 CDT)
Re: AMBER: question about delphi and UHBD Ray Luo (Tue Sep 28 2004 - 12:58:11 CDT)
Re: AMBER: Ray Luo (Tue Sep 28 2004 - 13:30:10 CDT)
AMBER: The convergence of energy minimisation Binbin Liu (Tue Sep 28 2004 - 14:10:56 CDT)
AMBER: Amber bybaker_at_itsa.ucsf.edu (Tue Sep 28 2004 - 14:28:32 CDT)
Re: AMBER: Amber Thomas E. Cheatham, III (Tue Sep 28 2004 - 14:37:25 CDT)
Re: AMBER: question about delphi and UHBD Thomas E. Cheatham, III (Tue Sep 28 2004 - 14:34:59 CDT)
Re: AMBER: Amber Tomas Linhart (Tue Sep 28 2004 - 14:50:28 CDT)
AMBER: Phosphoserine parameters Venkata S Koppuravuri (Tue Sep 28 2004 - 15:41:23 CDT)
Re: AMBER: question about delphi and UHBD xhu1_at_memphis.edu (Tue Sep 28 2004 - 15:32:51 CDT)
Re: AMBER: question about delphi and UHBD Carlos Simmerling (Tue Sep 28 2004 - 15:46:43 CDT)
AMBER: Re: Amber bybaker_at_itsa.ucsf.edu (Tue Sep 28 2004 - 16:35:01 CDT)
Re: AMBER: question about delphi and UHBD xhu1_at_memphis.edu (Tue Sep 28 2004 - 17:06:12 CDT)
Re: AMBER: question about delphi and UHBD Ray Luo (Tue Sep 28 2004 - 17:19:59 CDT)
Re: AMBER: Phosphoserine parameters Oliver Hucke (Tue Sep 28 2004 - 18:53:27 CDT)
AMBER: (no subject) Rasha Radwan (Wed Sep 29 2004 - 09:24:25 CDT)
AMBER: scaling 1-4 NB interaction for rings j-shimada_at_az.jp.nec.com (Wed Sep 29 2004 - 09:16:38 CDT)
Re: AMBER: scaling 1-4 NB interaction for rings David A. Case (Wed Sep 29 2004 - 10:11:02 CDT)
Re: AMBER: (no subject) Jiten (Wed Sep 29 2004 - 10:23:55 CDT)
Re: AMBER: Phosphoserine parameters Joseph Nachman (Wed Sep 29 2004 - 10:50:24 CDT)
Re: AMBER: (no subject) M. L. Dodson (Wed Sep 29 2004 - 10:39:12 CDT)
Re: AMBER: (no subject) David A. Case (Wed Sep 29 2004 - 10:39:43 CDT)
AMBER: impose: Illegal angle internal definition Madalin Giambasu (Wed Sep 29 2004 - 11:34:18 CDT)
Re: AMBER: question about delphi and UHBD xhu1_at_memphis.edu (Wed Sep 29 2004 - 14:11:47 CDT)
AMBER: resp error message Andre Farias de Moura (Wed Sep 29 2004 - 11:25:07 CDT)
Re: AMBER: impose: Illegal angle internal definition David A. Case (Wed Sep 29 2004 - 14:13:36 CDT)
Re: AMBER: resp error message FyD (Wed Sep 29 2004 - 14:55:26 CDT)
Re: AMBER: resp error message Andre Farias de Moura (Wed Sep 29 2004 - 12:41:05 CDT)
Re: AMBER: resp error message FyD (Wed Sep 29 2004 - 15:54:12 CDT)
Re: AMBER: (no subject) Anselm Horn (Wed Sep 29 2004 - 10:00:43 CDT)
AMBER: Compiling AMBER8 Justin Sanders (Thu Sep 30 2004 - 09:54:05 CDT)
Re: AMBER: Compiling AMBER8 David A. Case (Thu Sep 30 2004 - 10:59:42 CDT)
Re: AMBER: resp error message Andre Farias de Moura (Thu Sep 30 2004 - 08:58:38 CDT)
Re: AMBER: resp error message FyD (Thu Sep 30 2004 - 11:54:33 CDT)
Re: AMBER: question about delphi and UHBD xhu1_at_memphis.edu (Thu Sep 30 2004 - 11:52:01 CDT)
AMBER: Testing Delphi for mm_pbsa Scott Pendley (Thu Sep 30 2004 - 12:20:15 CDT)
AMBER: anal error Guanglei Cui (Thu Sep 30 2004 - 15:28:35 CDT)
AMBER: (no subject) Rasha Radwan (Fri Oct 01 2004 - 09:30:53 CDT)
AMBER: hydrogen bonds Jessica Koplin (Fri Oct 01 2004 - 11:24:29 CDT)
AMBER: frcmod_dmso Vincent Bisetty (Fri Oct 01 2004 - 16:21:42 CDT)
RE: AMBER: frcmod_dmso Ross Walker (Fri Oct 01 2004 - 17:05:05 CDT)
AMBER: amber 8 error Abd Ghani Bin Abd Aziz (Sat Oct 02 2004 - 02:25:30 CDT)
Re: AMBER: amber 8 error Tomas Linhart (Sat Oct 02 2004 - 03:04:43 CDT)
Re: AMBER: amber 8 error Abd Ghani Bin Abd Aziz (Sat Oct 02 2004 - 04:26:10 CDT)
AMBER: small molecule simulation hj zou (Sun Oct 03 2004 - 00:59:55 CDT)
Re: AMBER: small molecule simulation Carlos Simmerling (Sun Oct 03 2004 - 07:54:40 CDT)
AMBER: antechamber, mopac RESTART opitz_at_che.udel.edu (Sun Oct 03 2004 - 13:41:24 CDT)
AMBER: Running on MPI wish_71 (Sun Oct 03 2004 - 20:59:58 CDT)
Re: AMBER: Running on MPI Jiten (Sun Oct 03 2004 - 22:08:54 CDT)
AMBER: mdinfo on amber6 Abd Ghani Bin Abd Aziz (Mon Oct 04 2004 - 00:26:41 CDT)
AMBER: neutral Arg, charged Tyr ?? Peter Trodler (Mon Oct 04 2004 - 02:25:49 CDT)
Re: AMBER: mdinfo on amber6 Tomas Linhart (Mon Oct 04 2004 - 02:49:29 CDT)
Re: AMBER: mdinfo on amber6 Carlos Simmerling (Mon Oct 04 2004 - 06:40:03 CDT)
Re: AMBER: Running on MPI Carlos Simmerling (Mon Oct 04 2004 - 06:37:18 CDT)
AMBER: amber with MPI Stefano.Pieraccini_at_unimi.it (Mon Oct 04 2004 - 09:40:16 CDT)
AMBER: Phosphoserine Venkata S Koppuravuri (Mon Oct 04 2004 - 14:26:28 CDT)
AMBER: Is AME equal to NME? myang_at_vitamin.uni.cc (Mon Oct 04 2004 - 14:15:46 CDT)
Re: AMBER: Is AME equal to NME? myang_at_vitamin.uni.cc (Mon Oct 04 2004 - 15:07:12 CDT)
AMBER: building a small molecule mathew k varghese (Tue Oct 05 2004 - 04:01:09 CDT)
Re: AMBER: Running on MPI wish_71 (Tue Oct 05 2004 - 05:17:55 CDT)
Re: AMBER: hydrogen bonds Tim Meyer (Tue Oct 05 2004 - 06:11:09 CDT)
Re: AMBER: Running on MPI Carlos Simmerling (Tue Oct 05 2004 - 07:16:59 CDT)
AMBER: Parameters for phosphorylated aminoacids Nadine Homeyer (Tue Oct 05 2004 - 10:21:31 CDT)
Re: AMBER: Parameters for phosphorylated aminoacids Carlos Simmerling (Tue Oct 05 2004 - 10:58:07 CDT)
AMBER: parameter error for a ligand Sivanesan Dakshanamurthy (Tue Oct 05 2004 - 11:59:54 CDT)
Re: AMBER: building a small molecule Oliver Hucke (Tue Oct 05 2004 - 12:15:00 CDT)
AMBER: problem with protonate Richard Stefl (Tue Oct 05 2004 - 12:44:05 CDT)
AMBER: question about nmode xiaowei li (Tue Oct 05 2004 - 13:09:15 CDT)
Re: AMBER: question about nmode David A. Case (Tue Oct 05 2004 - 14:03:52 CDT)
AMBER: Note to all concerning filtering of messages posted to the amber list. Ross Walker (Tue Oct 05 2004 - 14:51:34 CDT)
RE: AMBER: frcmod_dmso Ross Walker (Tue Oct 05 2004 - 15:10:41 CDT)
Re: AMBER: parameter error for a ligand David A. Case (Tue Oct 05 2004 - 15:23:01 CDT)
Re: AMBER: problem with protonate myang_at_vitamin.uni.cc (Tue Oct 05 2004 - 15:36:36 CDT)
Re: AMBER: problem with protonate David A. Case (Tue Oct 05 2004 - 16:31:12 CDT)
Re: AMBER: parameter error for a ligand Sivanesan Dakshanamurthy (Tue Oct 05 2004 - 16:45:51 CDT)
AMBER: Compiling using pgf90 David Lomelin (Tue Oct 05 2004 - 20:33:22 CDT)
Re: AMBER: Running on MPI wish_71 (Tue Oct 05 2004 - 21:43:16 CDT)
Re: AMBER: Note to all concerning filtering of messages posted to the amber list. Stef (Wed Oct 06 2004 - 03:33:17 CDT)
AMBER: Comparison of simulation results on amber7 and amber 8 anshul_at_imtech.res.in (Wed Oct 06 2004 - 15:28:04 CDT)
AMBER: ptraj and PCA J Pang (Wed Oct 06 2004 - 05:54:17 CDT)
Re: AMBER: Parameters for phosphorylated aminoacids Nadine Homeyer (Wed Oct 06 2004 - 05:57:14 CDT)
Re: AMBER: Comparison of simulation results on amber7 and amber 8 Carlos Simmerling (Wed Oct 06 2004 - 08:36:03 CDT)
Re: AMBER: Running on MPI Carlos Simmerling (Wed Oct 06 2004 - 09:33:19 CDT)
AMBER: Antechamber on cluster with queue? opitz_at_che.udel.edu (Wed Oct 06 2004 - 10:08:25 CDT)
Re: AMBER: Antechamber on cluster with queue? David A. Case (Wed Oct 06 2004 - 10:24:17 CDT)
Re: AMBER: Antechamber on cluster with queue? opitz_at_che.udel.edu (Wed Oct 06 2004 - 11:06:43 CDT)
Re: AMBER: Antechamber on cluster with queue? David A. Case (Wed Oct 06 2004 - 11:31:53 CDT)
Re: AMBER: Comparison of simulation results on amber7 and amber 8 Sergio E. Wong (Wed Oct 06 2004 - 11:54:44 CDT)
Re: AMBER: Compiling using pgf90 Craig TOEPFER (Wed Oct 06 2004 - 11:52:06 CDT)
Re: AMBER: Comparison of simulation results on amber7 and amber 8 Carlos Simmerling (Wed Oct 06 2004 - 12:21:54 CDT)
AMBER: GIbbs : failure to start sachin patil (Wed Oct 06 2004 - 13:01:23 CDT)
Re: AMBER: Compiling using pgf90 David Lomelin (Wed Oct 06 2004 - 15:30:34 CDT)
AMBER: atoms out of bounds Balvinder Singh (Thu Oct 07 2004 - 16:27:45 CDT)
Re: AMBER: atoms out of bounds Carlos Simmerling (Thu Oct 07 2004 - 07:17:15 CDT)
AMBER: AddIons Vincent Bisetty (Thu Oct 07 2004 - 07:15:03 CDT)
AMBER: ptraj analyze modes question Vlad Cojocaru (Thu Oct 07 2004 - 08:17:02 CDT)
AMBER: rms fluctuation units from ptraj Vlad Cojocaru (Thu Oct 07 2004 - 08:36:03 CDT)
Re: AMBER: AddIons Bill Ross (Thu Oct 07 2004 - 14:36:24 CDT)
AMBER: solute leaving PBC box opitz_at_che.udel.edu (Thu Oct 07 2004 - 16:24:47 CDT)
Re: AMBER: solute leaving PBC box Carlos Simmerling (Thu Oct 07 2004 - 16:48:12 CDT)
Re: AMBER: solute leaving PBC box opitz_at_che.udel.edu (Thu Oct 07 2004 - 17:01:19 CDT)
Re: AMBER: solute leaving PBC box myang_at_vitamin.uni.cc (Thu Oct 07 2004 - 17:00:09 CDT)
Re: AMBER: solute leaving PBC box Carlos Simmerling (Thu Oct 07 2004 - 17:43:49 CDT)
AMBER: Problem with AMBER/ANAL Daniel Wetzler (Fri Oct 08 2004 - 03:31:29 CDT)
AMBER: MAXATOM failure in ANTECHAMBER Cenk Andac (Fri Oct 08 2004 - 04:31:18 CDT)
Re: AMBER: MAXATOM failure in ANTECHAMBER david.evans_at_ulsop.ac.uk (Fri Oct 08 2004 - 05:09:18 CDT)
AMBER: problems with dihedrals Petr Kulhanek (Fri Oct 08 2004 - 07:53:03 CDT)
Re: AMBER: problems with dihedrals Carlos Simmerling (Fri Oct 08 2004 - 08:27:44 CDT)
Re: AMBER: solute leaving PBC box opitz_at_che.udel.edu (Fri Oct 08 2004 - 08:43:06 CDT)
Re: AMBER: solute leaving PBC box Carlos Simmerling (Fri Oct 08 2004 - 09:02:42 CDT)
AMBER: generalized Born parameters Peter Varnai (Fri Oct 08 2004 - 09:16:08 CDT)
AMBER: sander8 Vincent Bisetty (Fri Oct 08 2004 - 09:59:01 CDT)
Re: AMBER: sander8 Carlos Simmerling (Fri Oct 08 2004 - 10:07:23 CDT)
Re: AMBER: generalized Born parameters David A. Case (Fri Oct 08 2004 - 11:08:02 CDT)
Re: AMBER: Problem with AMBER/ANAL David A. Case (Fri Oct 08 2004 - 11:15:12 CDT)
AMBER: A torsion parameter in AMBER2003 force field Scott E. Boesch (Fri Oct 08 2004 - 11:23:41 CDT)
Re: AMBER: A torsion parameter in AMBER2003 force field David A. Case (Fri Oct 08 2004 - 11:53:21 CDT)
RE: AMBER: A torsion parameter in AMBER2003 force field Yong Duan (Fri Oct 08 2004 - 12:41:41 CDT)
AMBER: restrain one tosion angle Yaroslava Yingling (Fri Oct 08 2004 - 14:02:01 CDT)
Re: AMBER: restrain one tosion angle Carlos Simmerling (Fri Oct 08 2004 - 14:10:16 CDT)
Re: AMBER: restrain one tosion angle Yaroslava Yingling (Fri Oct 08 2004 - 14:20:09 CDT)
Re: AMBER: restrain one tosion angle Carlos Simmerling (Fri Oct 08 2004 - 15:50:34 CDT)
AMBER: Box information from Amber Priti Hansia (Sat Oct 09 2004 - 06:19:46 CDT)
Re: AMBER: Box information from Amber Carlos Simmerling (Sat Oct 09 2004 - 07:10:56 CDT)
Re: AMBER: sander8 Vincent Bisetty (Sat Oct 09 2004 - 11:13:55 CDT)
Re: AMBER: sander8 Carlos Simmerling (Sat Oct 09 2004 - 12:39:34 CDT)
Re: AMBER: Box information from Amber Priti Hansia (Sat Oct 09 2004 - 12:51:16 CDT)
Re: AMBER: Box information from Amber Carlos Simmerling (Sat Oct 09 2004 - 13:00:43 CDT)
AMBER: about antechamber MURAT CETINKAYA (Sat Oct 09 2004 - 20:48:52 CDT)
AMBER: Amber8 compilation in Dec-Alpha Jiten (Sun Oct 10 2004 - 11:22:01 CDT)
AMBER: exclusion list Guanglei Cui (Sun Oct 10 2004 - 11:34:38 CDT)
AMBER: nmode error Xiao He (Mon Oct 11 2004 - 02:10:22 CDT)
AMBER: question about mm_pbsa and nmode Xiao He (Mon Oct 11 2004 - 02:43:53 CDT)
AMBER: AMBER 8 installation trouble Atro Tossavainen (Mon Oct 11 2004 - 03:36:44 CDT)
AMBER: AMBER 8 installation - continued Atro Tossavainen (Mon Oct 11 2004 - 03:57:45 CDT)
AMBER: Hot solvent/cold solute reference Stef (Mon Oct 11 2004 - 05:56:30 CDT)
Re: AMBER: Hot solvent/cold solute reference Andreas Svrcek-Seiler (Mon Oct 11 2004 - 08:16:18 CDT)
AMBER: Distance Restraints Nelson Fonseca (Mon Oct 11 2004 - 07:56:23 CDT)
Re: AMBER: nmode error David A. Case (Mon Oct 11 2004 - 10:09:18 CDT)
Re: AMBER: Distance Restraints David A. Case (Mon Oct 11 2004 - 10:17:39 CDT)
Re: AMBER: exclusion list Guanglei Cui (Mon Oct 11 2004 - 10:26:20 CDT)
Re: AMBER: AMBER 8 installation trouble David A. Case (Mon Oct 11 2004 - 10:43:44 CDT)
Re: AMBER: about antechamber David A. Case (Mon Oct 11 2004 - 11:13:05 CDT)
Re: AMBER: Hot solvent/cold solute reference Stef (Mon Oct 11 2004 - 11:41:10 CDT)
RE: AMBER: Amber8 compilation in Dec-Alpha Ross Walker (Mon Oct 11 2004 - 12:09:40 CDT)
RE: AMBER: AMBER 8 installation - continued Ross Walker (Mon Oct 11 2004 - 12:17:50 CDT)
AMBER: how to set up more than 3 groups constrain Â¬Ç¿ (Mon Oct 11 2004 - 13:33:51 CDT)
AMBER: Question about restart MD Xin Hu (Mon Oct 11 2004 - 13:38:38 CDT)
Re: AMBER: Question about restart MD Carlos Simmerling (Mon Oct 11 2004 - 13:55:39 CDT)
Re: AMBER: Question about restart MD myang_at_vitamin.uni.cc (Mon Oct 11 2004 - 14:05:04 CDT)
RE: AMBER: Question about restart MD Ross Walker (Mon Oct 11 2004 - 14:06:09 CDT)
AMBER: About missing residues Xiao He (Mon Oct 11 2004 - 22:21:47 CDT)
Re: AMBER: About missing residues FyD (Tue Oct 12 2004 - 00:27:58 CDT)
AMBER: process_mdout.perl bybaker_at_itsa.ucsf.edu (Tue Oct 12 2004 - 01:08:06 CDT)
Re: AMBER: process_mdout.perl Donald Thomas (Tue Oct 12 2004 - 01:23:13 CDT)
Re: AMBER: AMBER 8 installation trouble Atro Tossavainen (Tue Oct 12 2004 - 02:29:23 CDT)
AMBER: RE:sander8 Vincent Bisetty (Tue Oct 12 2004 - 02:19:35 CDT)
Re: AMBER: AMBER 8 installation - continued Atro Tossavainen (Tue Oct 12 2004 - 02:37:24 CDT)
AMBER: More installation problems on Solaris 8 Atro Tossavainen (Tue Oct 12 2004 - 02:44:01 CDT)
Re: AMBER: process_mdout.perl Tomas Linhart (Tue Oct 12 2004 - 02:43:28 CDT)
AMBER: Parameter for chlorophyll Fajar Rakhman Wibowo (Tue Oct 12 2004 - 05:46:27 CDT)
AMBER: rms fluct and displacement in modes analysis Vlad Cojocaru (Tue Oct 12 2004 - 05:47:34 CDT)
Re: AMBER: RE:sander8 Carlos Simmerling (Tue Oct 12 2004 - 06:21:02 CDT)
AMBER: Questions about MD sampling Xin Hu (Tue Oct 12 2004 - 10:03:06 CDT)
Re: AMBER: Questions about MD sampling Thomas E. Cheatham, III (Tue Oct 12 2004 - 11:12:18 CDT)
Re: AMBER: rms fluct and displacement in modes analysis David A. Case (Tue Oct 12 2004 - 11:19:48 CDT)
AMBER: klambdas and Weights for Gaussian Quadrature Nelson Fonseca (Tue Oct 12 2004 - 12:01:33 CDT)
Re: AMBER: AMBER 8 installation trouble David A. Case (Tue Oct 12 2004 - 12:28:14 CDT)
RE: AMBER: Questions about MD sampling Ross Walker (Tue Oct 12 2004 - 12:25:30 CDT)
RE: AMBER: Questions about MD sampling Ross Walker (Tue Oct 12 2004 - 12:31:12 CDT)
AMBER: Re: rms fluct and displacement in modes analysis Vlad Cojocaru (Tue Oct 12 2004 - 12:39:33 CDT)
AMBER: Carnal & Radius of gyration opitz_at_che.udel.edu (Tue Oct 12 2004 - 16:29:26 CDT)
Re: AMBER: Carnal & Radius of gyration Bill Ross (Tue Oct 12 2004 - 16:51:30 CDT)
Re: AMBER: klambdas and Weights for Gaussian Quadrature David A. Case (Tue Oct 12 2004 - 18:37:11 CDT)
AMBER: PBSA parameter question (Radii and Charges) Marc Baaden (Tue Oct 12 2004 - 19:01:19 CDT)
AMBER: process_mdout.perl: work now bybaker_at_itsa.ucsf.edu (Tue Oct 12 2004 - 20:32:49 CDT)
AMBER: Re: process_mdout.perl bybaker_at_itsa.ucsf.edu (Tue Oct 12 2004 - 20:36:45 CDT)
AMBER: A question on AMBER8 installation Hwankyu Lee (Tue Oct 12 2004 - 23:39:33 CDT)
RE: AMBER: A question on AMBER8 installation Ross Walker (Wed Oct 13 2004 - 00:43:49 CDT)
Re: AMBER: AMBER 8 installation trouble Atro Tossavainen (Wed Oct 13 2004 - 01:56:19 CDT)
Re: AMBER: Running on MPI Carlos Simmerling (Wed Oct 13 2004 - 08:59:38 CDT)
AMBER: Plot B-factor extracted from PDB file Xin Hu (Wed Oct 13 2004 - 09:41:29 CDT)
Re: AMBER: A question on AMBER8 installation David A. Case (Wed Oct 13 2004 - 09:58:58 CDT)
Re: Re: AMBER: Running on MPI Wu Yingliang (Wed Oct 13 2004 - 08:49:48 CDT)
Re: Re: AMBER: Running on MPI David A. Case (Wed Oct 13 2004 - 10:57:24 CDT)
Re: AMBER: PBSA parameter question (Radii and Charges) Ray Luo (Wed Oct 13 2004 - 11:38:38 CDT)
RE: Re: AMBER: Running on MPI Ross Walker (Wed Oct 13 2004 - 11:51:23 CDT)
Re: Re: AMBER: Running on MPI Bill Ross (Wed Oct 13 2004 - 12:02:42 CDT)
RE: AMBER: A question on AMBER8 installation Bill Ross (Wed Oct 13 2004 - 12:13:48 CDT)
Re: AMBER: A question on AMBER8 installation Scott Brozell (Wed Oct 13 2004 - 12:24:51 CDT)
AMBER: MMPBSA PB parameters - PARSE implementation in Amber Marc Baaden (Wed Oct 13 2004 - 12:42:34 CDT)
Re: AMBER: A question on AMBER8 installation Hwankyu Lee (Wed Oct 13 2004 - 12:53:30 CDT)
RE: AMBER: A question on AMBER8 installation Ross Walker (Wed Oct 13 2004 - 15:21:27 CDT)
AMBER: Question about Amino acid mutations sachin patil (Wed Oct 13 2004 - 18:03:22 CDT)
AMBER: errors in SGI Xiao He (Thu Oct 14 2004 - 02:08:42 CDT)
AMBER: Problem with EDIT (AMBER 5) Daniel Wetzler (Thu Oct 14 2004 - 06:53:45 CDT)
AMBER: modes analysis in ptraj Vlad Cojocaru (Thu Oct 14 2004 - 07:13:14 CDT)
Re: AMBER: Problem with EDIT (AMBER 5) Daniel Wetzler (Thu Oct 14 2004 - 07:23:32 CDT)
AMBER: distance between images riccardo nifosi (Thu Oct 14 2004 - 09:56:40 CDT)
AMBER: mm-pbsa problem Dawei Zhang (Thu Oct 14 2004 - 09:36:03 CDT)
AMBER: amber8 compilation on AIX (regatta) SEKIJIMA Masakazu (Thu Oct 14 2004 - 08:41:40 CDT)
Re: AMBER: errors in SGI David A. Case (Thu Oct 14 2004 - 10:04:24 CDT)
Re: AMBER: distance between images Bill Ross (Thu Oct 14 2004 - 10:09:11 CDT)
Re: AMBER: distance between images Thomas E. Cheatham, III (Thu Oct 14 2004 - 10:51:33 CDT)
AMBER: Amber8 - Energy Calculations Nhat-hang Duong (Thu Oct 14 2004 - 10:53:29 CDT)
RE: AMBER: A question on AMBER8 installation Hwankyu Lee (Thu Oct 14 2004 - 11:04:18 CDT)
Re: Re: AMBER: errors in SGI Xiao He (Thu Oct 14 2004 - 11:09:40 CDT)
AMBER: (no subject) HL Eastwood (Thu Oct 14 2004 - 11:33:34 CDT)
RE: Re: AMBER: errors in SGI Ross Walker (Thu Oct 14 2004 - 11:34:46 CDT)
Re: Re: AMBER: errors in SGI David A. Case (Thu Oct 14 2004 - 11:33:32 CDT)
AMBER: Problem with installing Amber8: Where are the MK libraries? HL Eastwood (Thu Oct 14 2004 - 11:34:54 CDT)
Re: AMBER: A question on AMBER8 installation David A. Case (Thu Oct 14 2004 - 11:45:30 CDT)
RE: AMBER: A question on AMBER8 installation Ross Walker (Thu Oct 14 2004 - 11:50:25 CDT)
RE: AMBER: Problem with installing Amber8: Where are the MK libraries? Ross Walker (Thu Oct 14 2004 - 12:00:02 CDT)
Re: AMBER: amber8 compilation on AIX (regatta) David A. Case (Thu Oct 14 2004 - 12:36:28 CDT)
Re: AMBER: Problem with installing Amber8: Where are the MK libraries? Andreas Svrcek-Seiler (Thu Oct 14 2004 - 12:42:35 CDT)
RE: AMBER: Problem with installing Amber8: Where are the MK libraries? HL Eastwood (Thu Oct 14 2004 - 12:42:54 CDT)
Re: AMBER: Amber8 - Energy Calculations David A. Case (Thu Oct 14 2004 - 12:55:38 CDT)
RE: AMBER: A question on AMBER8 installation Hwankyu Lee (Thu Oct 14 2004 - 12:57:45 CDT)
RE: AMBER: Problem with installing Amber8: Where are the MK libraries? Ross Walker (Thu Oct 14 2004 - 13:06:52 CDT)
AMBER: Use of intel compilers v8.1 for Amber 8. Ross Walker (Thu Oct 14 2004 - 13:13:15 CDT)
RE: AMBER: A question on AMBER8 installation Hwankyu Lee (Thu Oct 14 2004 - 13:13:33 CDT)
Re: AMBER: A question on AMBER8 installation David A. Case (Thu Oct 14 2004 - 13:22:14 CDT)
Re: AMBER: A question on AMBER8 installation M. L. Dodson (Thu Oct 14 2004 - 13:41:15 CDT)
AMBER: normal mode analysis after energy minimizaiton using sander xiaowei li (Thu Oct 14 2004 - 16:57:30 CDT)
Re: AMBER: normal mode analysis after energy minimizaiton using sander David A. Case (Thu Oct 14 2004 - 18:35:01 CDT)
Re: AMBER: A question on AMBER8 installation Hwankyu Lee (Thu Oct 14 2004 - 22:01:05 CDT)
AMBER: Curves 5.3 Mu Yuguang \(Dr\) (Thu Oct 14 2004 - 21:57:57 CDT)
AMBER: Amber 8 - OS support. Poh-Guan Khoo (Fri Oct 15 2004 - 00:54:27 CDT)
Re: AMBER: Problem with installing Amber8: Where are the MK libraries? Atro Tossavainen (Fri Oct 15 2004 - 01:24:13 CDT)
Re: AMBER: Problem with installing Amber8: Where are the MK libraries? Atro Tossavainen (Fri Oct 15 2004 - 02:13:55 CDT)
RE: AMBER: Problem with installing Amber8: Where are the MK libraries? Ross Walker (Fri Oct 15 2004 - 02:26:32 CDT)
Re: AMBER: AMBER 8 installation trouble Atro Tossavainen (Fri Oct 15 2004 - 02:20:54 CDT)
RE: AMBER: Problem with installing Amber8: Where are the MK libraries? Ross Walker (Fri Oct 15 2004 - 02:29:47 CDT)
AMBER: question about molsurf Xiao He (Fri Oct 15 2004 - 03:13:05 CDT)
AMBER: ptraj and clustering Fabian Boes (Fri Oct 15 2004 - 03:15:51 CDT)
Re: AMBER: Problem with installing Amber8: Where are the MK libraries? Atro Tossavainen (Fri Oct 15 2004 - 04:59:29 CDT)
Re: AMBER: Amber8: ifort 8.0.046 Woo hoo! HL Eastwood (Fri Oct 15 2004 - 05:36:57 CDT)
Re: AMBER: Amber8: ifort 8.0.046 Woo hoo! Atro Tossavainen (Fri Oct 15 2004 - 05:55:27 CDT)
AMBER: difference in GBSOL in amber7 and amber8 Xiao He (Fri Oct 15 2004 - 06:11:11 CDT)
Re: AMBER: Amber8: ifort 8.0.046 Woo hoo! Atro Tossavainen (Fri Oct 15 2004 - 07:38:59 CDT)
AMBER: Trajectory corruption Steve Seibold (Fri Oct 15 2004 - 08:48:50 CDT)
Re: AMBER: AMBER 8 installation trouble David A. Case (Fri Oct 15 2004 - 09:51:59 CDT)
Re: AMBER: Trajectory corruption Carlos Simmerling (Fri Oct 15 2004 - 09:54:14 CDT)
Re: AMBER: A question on AMBER8 installation David A. Case (Fri Oct 15 2004 - 09:58:29 CDT)
Re: AMBER: difference in GBSOL in amber7 and amber8 David A. Case (Fri Oct 15 2004 - 10:07:04 CDT)
Re: AMBER: modes analysis in ptraj David A. Case (Fri Oct 15 2004 - 10:18:50 CDT)
Re: AMBER: question about molsurf David A. Case (Fri Oct 15 2004 - 10:28:10 CDT)
AMBER: pmemd and ifort 8.1 Niko Jukarainen (Fri Oct 15 2004 - 08:14:03 CDT)
Re: AMBER: pmemd and ifort 8.1 Robert Duke (Fri Oct 15 2004 - 12:10:08 CDT)
Re: AMBER: Trajectory corruption Adrian E. Roitberg (Fri Oct 15 2004 - 12:06:23 CDT)
Re: AMBER: Trajectory corruption Bill Ross (Fri Oct 15 2004 - 13:00:59 CDT)
AMBER: from gaussian to antechamber Cai, Yufeng (Fri Oct 15 2004 - 13:14:48 CDT)
AMBER: changepot Cai, Yufeng (Fri Oct 15 2004 - 13:33:08 CDT)
AMBER: H bond calculation of CHARMM trajactory using PTRAJ anshul_at_imtech.res.in (Fri Oct 15 2004 - 23:59:33 CDT)
Re: AMBER: from gaussian to antechamber Robyn Ayscue (Fri Oct 15 2004 - 13:41:56 CDT)
Re: AMBER: changepot & mol2 file FyD (Fri Oct 15 2004 - 13:59:46 CDT)
AMBER: error in mm_pbsa Xiao He (Sat Oct 16 2004 - 04:12:41 CDT)
AMBER: amber 8 error Abd Ghani Abd Aziz (Sat Oct 16 2004 - 04:19:38 CDT)
Re: AMBER: error in mm_pbsa Wu Yingliang (Sat Oct 16 2004 - 04:52:47 CDT)
AMBER: amber 8 parallel problem Abd Ghani Abd Aziz (Sat Oct 16 2004 - 05:47:44 CDT)
Re: AMBER: error in mm_pbsa Holger Gohlke (Sat Oct 16 2004 - 08:53:36 CDT)
Re: Re: AMBER: error in mm_pbsa Xiao He (Sat Oct 16 2004 - 10:40:17 CDT)
RE: AMBER: amber 8 error Ross Walker (Sun Oct 17 2004 - 00:20:34 CDT)
RE: AMBER: amber 8 parallel problem Ross Walker (Sun Oct 17 2004 - 00:28:51 CDT)
AMBER: order parameter Jessica Koplin (Sun Oct 17 2004 - 05:30:44 CDT)
Re: AMBER: order parameter Carlos Simmerling (Sun Oct 17 2004 - 08:14:43 CDT)
Re: AMBER: problems with dihedrals - extended information Petr Kulhanek (Sun Oct 17 2004 - 10:39:31 CDT)
RE: AMBER: amber 8 parallel problem Ross Walker (Sun Oct 17 2004 - 13:05:33 CDT)
AMBER: problem with antechamber Cai, Yufeng (Sun Oct 17 2004 - 21:04:28 CDT)
AMBER: More AMBER 8 compilation problems on OSF1 4.0F Atro Tossavainen (Mon Oct 18 2004 - 03:08:30 CDT)
AMBER: about AM1-BCC charge method Xiao He (Mon Oct 18 2004 - 08:21:34 CDT)
Re: AMBER: about AM1-BCC charge method Natasja Brooijmans (Mon Oct 18 2004 - 08:38:11 CDT)
Re: Re: AMBER: about AM1-BCC charge method Xiao He (Mon Oct 18 2004 - 08:59:43 CDT)
AMBER: Calculating H-Bond networks using ptraj Thomas Steinbrecher (Mon Oct 18 2004 - 09:12:05 CDT)
AMBER: file corruption with ptraj Steve Seibold (Mon Oct 18 2004 - 10:10:51 CDT)
AMBER: const-P MD at high T MURAT CETINKAYA (Mon Oct 18 2004 - 10:27:49 CDT)
Re: AMBER: file corruption with ptraj Thomas E. Cheatham, III (Mon Oct 18 2004 - 10:42:02 CDT)
Re: AMBER: file corruption with ptraj cailliez (Mon Oct 18 2004 - 10:32:32 CDT)
Re: AMBER: More AMBER 8 compilation problems on OSF1 4.0F David A. Case (Mon Oct 18 2004 - 10:59:58 CDT)
Re: AMBER: const-P MD at high T Carlos Simmerling (Mon Oct 18 2004 - 11:25:52 CDT)
Re: AMBER: const-P MD at high T MURAT CETINKAYA (Mon Oct 18 2004 - 11:52:11 CDT)
Re: AMBER: const-P MD at high T Carlos Simmerling (Mon Oct 18 2004 - 12:22:48 CDT)
Re: AMBER: problems with dihedrals - extended information David A. Case (Mon Oct 18 2004 - 12:42:50 CDT)
Re: AMBER: const-P MD at high T Bill Ross (Mon Oct 18 2004 - 12:47:58 CDT)
Re: AMBER: problems with dihedrals - extended information Bill Ross (Mon Oct 18 2004 - 13:04:33 CDT)
Re: AMBER: const-P MD at high T MURAT CETINKAYA (Mon Oct 18 2004 - 13:13:07 CDT)
Re: AMBER: const-P MD at high T Bill Ross (Mon Oct 18 2004 - 13:26:26 CDT)
Re: AMBER: const-P MD at high T Carlos Simmerling (Mon Oct 18 2004 - 13:29:35 CDT)
Re: AMBER: const-P MD at high T Bill Ross (Mon Oct 18 2004 - 14:16:26 CDT)
Re: AMBER: problem with antechamber David A. Case (Mon Oct 18 2004 - 15:14:29 CDT)
AMBER: question on NAB ioana_at_pegasus.arc.nasa.gov (Mon Oct 18 2004 - 16:18:19 CDT)
AMBER: question on NMR restrain Â¬Ç¿ (Mon Oct 18 2004 - 17:55:54 CDT)
Re: AMBER: question on NMR restrain David A. Case (Mon Oct 18 2004 - 20:30:30 CDT)
AMBER: error in using AM1-BCC charge by antechamber Xiao He (Mon Oct 18 2004 - 23:22:04 CDT)
Re: AMBER: More AMBER 8 compilation problems on OSF1 4.0F Atro Tossavainen (Tue Oct 19 2004 - 01:21:57 CDT)
AMBER: BOND energy during minimisation cailliez (Tue Oct 19 2004 - 02:53:47 CDT)
AMBER: amber 8 error Abd Ghani Abd Aziz (Tue Oct 19 2004 - 03:14:24 CDT)
Re: AMBER: BOND energy during minimisation Stef (Tue Oct 19 2004 - 03:35:05 CDT)
Re: AMBER: amber 8 error Andreas Svrcek-Seiler (Tue Oct 19 2004 - 04:00:59 CDT)
Re: AMBER: amber 8 error Atro Tossavainen (Tue Oct 19 2004 - 05:23:23 CDT)
Re: AMBER: amber 8 error Carlos Simmerling (Tue Oct 19 2004 - 06:22:37 CDT)
Re: AMBER: BOND energy during minimisation Carlos Simmerling (Tue Oct 19 2004 - 06:21:28 CDT)
Re: AMBER: More AMBER 8 compilation problems on OSF1 4.0F M. L. Dodson (Tue Oct 19 2004 - 07:22:32 CDT)
Re: AMBER: More AMBER 8 compilation problems on OSF1 4.0F Atro Tossavainen (Tue Oct 19 2004 - 07:39:21 CDT)
Re: AMBER: More AMBER 8 compilation problems on OSF1 4.0F David A. Case (Tue Oct 19 2004 - 09:48:52 CDT)
Re: AMBER: BOND energy during minimisation David A. Case (Tue Oct 19 2004 - 09:59:46 CDT)
Re: AMBER: question on NAB David A. Case (Tue Oct 19 2004 - 10:06:50 CDT)
Re: AMBER: BOND energy during minimisation cailliez (Tue Oct 19 2004 - 11:12:55 CDT)
Re: AMBER: BOND energy during minimisation Carlos Simmerling (Tue Oct 19 2004 - 12:33:52 CDT)
AMBER: MAXMASK problem Qiang Lu (Tue Oct 19 2004 - 12:19:54 CDT)
Re: AMBER: recovering total force array Dave S Walker (Tue Oct 19 2004 - 14:04:16 CDT)
Re: AMBER: A question on AMBER8 installation Hwankyu Lee (Tue Oct 19 2004 - 15:43:48 CDT)
Re: AMBER: MAXMASK problem David A. Case (Tue Oct 19 2004 - 16:10:29 CDT)
Re: AMBER: recovering total force array David A. Case (Tue Oct 19 2004 - 16:26:31 CDT)
Re: AMBER: MAXMASK problem Qiang Lu (Tue Oct 19 2004 - 17:25:03 CDT)
AMBER: Sander-7 for Win32 Vlad (Tue Oct 19 2004 - 18:11:38 CDT)
Re: AMBER: A question on AMBER8 installation David A. Case (Tue Oct 19 2004 - 18:27:08 CDT)
Re: AMBER: recovering total force array Dave S Walker (Tue Oct 19 2004 - 18:59:00 CDT)
Re: AMBER: A question on AMBER8 installation Hwankyu Lee (Tue Oct 19 2004 - 23:12:20 CDT)
Re: AMBER: A question on AMBER8 installation David A. Case (Wed Oct 20 2004 - 00:04:36 CDT)
Re: AMBER: BOND energy during minimisation cailliez (Wed Oct 20 2004 - 02:16:26 CDT)
Re: AMBER: A question on AMBER8 installation Robert Duke (Wed Oct 20 2004 - 07:35:00 CDT)
Re: AMBER: H bond calculation of CHARMM trajactory using PTRAJ Thomas E. Cheatham, III (Wed Oct 20 2004 - 09:16:50 CDT)
AMBER: About STD in NMODE Xiao He (Wed Oct 20 2004 - 11:06:15 CDT)
AMBER: International PhD Symppozium "DECODING NATURE: HIERARCHY OF INTERACTIONS" Vlad Cojocaru (Wed Oct 20 2004 - 11:10:43 CDT)
AMBER: Question about Xleap David LeBard (Wed Oct 20 2004 - 17:28:28 CDT)
Re: AMBER: Sander-7 for Win32 David A. Case (Wed Oct 20 2004 - 18:03:49 CDT)
AMBER: bugfix.17 Helios Chen (Thu Oct 21 2004 - 11:26:23 CDT)
AMBER: Wich CPU? Joachim Reichelt (Thu Oct 21 2004 - 04:34:26 CDT)
AMBER: Amber: what different? Helios Chen (Thu Oct 21 2004 - 20:58:42 CDT)
Re: AMBER: Wich CPU? Robert Duke (Thu Oct 21 2004 - 08:23:48 CDT)
AMBER: add charge error message: Number of electrons is odd berry1027 Eric (Fri Oct 22 2004 - 03:45:30 CDT)
RE: AMBER: Question about Xleap Ross Walker (Fri Oct 22 2004 - 08:31:58 CDT)
AMBER: Jiten (Fri Oct 22 2004 - 10:17:15 CDT)
Re: AMBER: add charge error message: Number of electrons is odd David A. Case (Fri Oct 22 2004 - 16:12:00 CDT)
AMBER: MD problem (very long parhabs endless runtime) Daniel Wetzler (Sat Oct 23 2004 - 08:05:49 CDT)
RE: AMBER: MD problem (very long parhabs endless runtime) Ross Walker (Sat Oct 23 2004 - 11:57:39 CDT)
Re: AMBER: MD problem (very long parhabs endless runtime) Daniel Wetzler (Sat Oct 23 2004 - 13:16:12 CDT)
Re: AMBER: MD problem (very long parhabs endless runtime) myang_at_vitamin.uni.cc (Sat Oct 23 2004 - 13:35:59 CDT)
RE: AMBER: MD problem (very long parhabs endless runtime) Ross Walker (Sat Oct 23 2004 - 13:53:22 CDT)
Re: AMBER: MD problem (very long parhabs endless runtime) Daniel Wetzler (Sun Oct 24 2004 - 04:40:09 CDT)
AMBER: No radius for F atom in MM_PBSA Xiao He (Sun Oct 24 2004 - 08:30:48 CDT)
Re: AMBER: Amber: what different? David A. Case (Sun Oct 24 2004 - 09:17:47 CDT)
AMBER: continue for No radius for F atom in MM_PBSA Xiao He (Sun Oct 24 2004 - 09:40:21 CDT)
Re: AMBER: continue for No radius for F atom in MM_PBSA Holger Gohlke (Sun Oct 24 2004 - 15:06:15 CDT)
AMBER: parallel of sander_classic Xioling Chuang (Mon Oct 25 2004 - 00:57:16 CDT)
AMBER: PMF tang kwa (Mon Oct 25 2004 - 06:59:22 CDT)
Re: AMBER: PMF Carlos Simmerling (Mon Oct 25 2004 - 07:14:19 CDT)
Re: AMBER: parallel of sander_classic David A. Case (Mon Oct 25 2004 - 08:17:44 CDT)
RE: AMBER: parallel of sander_classic Ross Walker (Mon Oct 25 2004 - 08:15:58 CDT)
AMBER: long minimization in sander MURAT CETINKAYA (Mon Oct 25 2004 - 09:53:14 CDT)
Re: AMBER: long minimization in sander Bill Ross (Mon Oct 25 2004 - 10:09:49 CDT)
RE: AMBER: long minimization in sander Ross Walker (Mon Oct 25 2004 - 10:11:29 CDT)
Re: AMBER: long minimization in sander MURAT CETINKAYA (Mon Oct 25 2004 - 10:32:10 CDT)
AMBER: MM_PBSA reproduction of literature values and accuracy Karl N. Kirschner (Mon Oct 25 2004 - 12:41:34 CDT)
Re: AMBER: MM_PBSA reproduction of literature values and accuracy Carlos Simmerling (Mon Oct 25 2004 - 12:53:50 CDT)
Re: AMBER: long minimization in sander Bill Ross (Mon Oct 25 2004 - 15:30:32 CDT)
AMBER: pure aromatic? Cai, Yufeng (Mon Oct 25 2004 - 16:16:06 CDT)
RE: AMBER: long minimization in sander Ross Walker (Mon Oct 25 2004 - 19:03:19 CDT)
AMBER: No skew or curtosis when zero variance in moment Xiao He (Mon Oct 25 2004 - 23:55:08 CDT)
AMBER: Continued:No skew or curtosis when zero variance in moment Xiao He (Tue Oct 26 2004 - 00:02:31 CDT)
Re: AMBER: MM_PBSA reproduction of literature values and accuracy Thomas Steinbrecher (Tue Oct 26 2004 - 02:05:51 CDT)
Re: AMBER: Continued:No skew or curtosis when zero variance in moment Elijah Gregory (Tue Oct 26 2004 - 08:48:55 CDT)
Re: AMBER: parallel of sander_classic Michael Crowley (Tue Oct 26 2004 - 15:03:36 CDT)
AMBER 8 default is now HIS->HIE and not HIS->HID - typo? Chris Moth (Tue Oct 26 2004 - 15:24:05 CDT)
Re: AMBER: MM_PBSA reproduction of literature values and accuracy Karl N. Kirschner (Tue Oct 26 2004 - 17:35:19 CDT)
Re: AMBER: MM_PBSA reproduction of literature values and accuracy Carlos Simmerling (Tue Oct 26 2004 - 17:51:16 CDT)
AMBER: AM1-BCC charges Xin Hu (Tue Oct 26 2004 - 19:19:04 CDT)
Re: AMBER: AM1-BCC charges Oliver Hucke (Tue Oct 26 2004 - 20:29:02 CDT)
AMBER: how to neutralize the peptide Ye Mei (Tue Oct 26 2004 - 21:10:23 CDT)
AMBER: questions regarding JTREE Annette Höglund (Wed Oct 27 2004 - 10:37:06 CDT)
Re: AMBER: how to neutralize the peptide Joseph Nachman (Wed Oct 27 2004 - 12:04:50 CDT)
Re: AMBER: how to neutralize the peptide Chris Moth (Wed Oct 27 2004 - 11:57:23 CDT)
Re: AMBER: questions regarding JTREE Bill Ross (Wed Oct 27 2004 - 12:53:39 CDT)
AMBER: getting new box info Vincent Bisetty (Thu Oct 28 2004 - 09:25:51 CDT)
Re: AMBER: getting new box info David A. Case (Thu Oct 28 2004 - 09:39:07 CDT)
AMBER: a question on ntwx and ntwr scopio (Thu Oct 28 2004 - 09:42:14 CDT)
Re: AMBER: a question on ntwx and ntwr Carlos Simmerling (Thu Oct 28 2004 - 10:50:10 CDT)
Re: AMBER: getting new box info Melinda Layten (Thu Oct 28 2004 - 10:46:57 CDT)
Re: AMBER: AMBER 8 default is now HIS->HIE and not HIS->HID - typo? David A. Case (Thu Oct 28 2004 - 11:50:34 CDT)
AMBER: solvation free energies using mmpbsa Karl N. Kirschner (Thu Oct 28 2004 - 12:15:38 CDT)
AMBER: icc 8.0 built antechamber Scott Brozell (Thu Oct 28 2004 - 12:24:02 CDT)
Re: AMBER: solvation free energies using mmpbsa FyD (Thu Oct 28 2004 - 12:33:34 CDT)
Re: AMBER: solvation free energies using mmpbsa Ray Luo (Wed Oct 27 2004 - 23:06:07 CDT)
AMBER: trajectory file question? opitz_at_che.udel.edu (Thu Oct 28 2004 - 13:15:12 CDT)
Re: AMBER: trajectory file question? Melinda Layten (Thu Oct 28 2004 - 14:35:17 CDT)
AMBER: question about ptraj's Mask Kun Song (Thu Oct 28 2004 - 15:52:08 CDT)
Re: AMBER: question about ptraj's Mask Viktor Hornak (Thu Oct 28 2004 - 16:03:45 CDT)
Re: AMBER: question about ptraj's Mask Kun Song (Thu Oct 28 2004 - 16:10:34 CDT)
AMBER: sander gets stuck MURAT CETINKAYA (Fri Oct 29 2004 - 09:32:22 CDT)
RE: AMBER: sander gets stuck Ross Walker (Fri Oct 29 2004 - 09:52:43 CDT)
RE: AMBER: sander gets stuck MURAT CETINKAYA (Fri Oct 29 2004 - 10:11:15 CDT)
AMBER: Settings about frozen atoms in sander Xiao He (Fri Oct 29 2004 - 10:17:07 CDT)
Re: AMBER: Settings about frozen atoms in sander Oliver Hucke (Mon Nov 29 2004 - 10:54:10 CST)
Re: AMBER: Settings about frozen atoms in sander Jiten (Fri Oct 29 2004 - 11:05:36 CDT)
AMBER: amber7 test on osx Knut Langsetmo (Fri Oct 29 2004 - 13:03:25 CDT)
Re: AMBER: amber7 test on osx Michael Crowley (Fri Oct 29 2004 - 13:31:09 CDT)
RE: AMBER: amber7 test on osx Ross Walker (Fri Oct 29 2004 - 13:38:31 CDT)
Re: AMBER: Settings about frozen atoms in sander Bill Ross (Fri Oct 29 2004 - 13:44:41 CDT)
AMBER: RSM fluctuation & residues bybaker_at_itsa.ucsf.edu (Fri Oct 29 2004 - 15:21:42 CDT)
AMBER: sander error Xiao He (Sat Oct 30 2004 - 01:49:17 CDT)
Re: AMBER: sander error Jiten (Sat Oct 30 2004 - 02:58:33 CDT)
Re: Re: AMBER: sander error Xiao He (Sat Oct 30 2004 - 03:19:15 CDT)
AMBER: MD after partially solvated Xiao He (Sat Oct 30 2004 - 21:52:51 CDT)
Re: AMBER: MD after partially solvated Carlos Simmerling (Sat Oct 30 2004 - 22:11:27 CDT)
AMBER: RSM & ptraj bybaker_at_itsa.ucsf.edu (Sun Oct 31 2004 - 01:13:10 CDT)
Re: AMBER: RSM & ptraj Carlos Simmerling (Sun Oct 31 2004 - 01:25:14 CDT)
Re: AMBER: RSM & ptraj Elijah Gregory (Sun Oct 31 2004 - 01:29:23 CDT)
AMBER: RSM fluctuation by residues bybaker_at_itsa.ucsf.edu (Sun Oct 31 2004 - 01:22:53 CDT)
AMBER: ptraj questions Amber admin (Sun Oct 31 2004 - 08:59:51 CST)
Re: AMBER: ptraj questions Carlos Simmerling (Sun Oct 31 2004 - 09:45:21 CST)
Re: AMBER: ptraj questions Oliver Hucke (Wed Dec 01 2004 - 11:59:06 CST)
Re: AMBER: ptraj questions Carlos Simmerling (Sun Oct 31 2004 - 11:06:54 CST)
Re: AMBER: ptraj questions Viktor Hornak (Sun Oct 31 2004 - 13:39:48 CST)
AMBER: Re: RSM & ptraj bybaker_at_itsa.ucsf.edu (Sun Oct 31 2004 - 12:43:41 CST)
AMBER: Amber7 installation error on Solaris 9 Joe Nolan (Mon Nov 01 2004 - 14:03:25 CST)
Re: AMBER: Amber7 installation error on Solaris 9 David A. Case (Mon Nov 01 2004 - 15:11:24 CST)
AMBER: MD & folding bybaker_at_itsa.ucsf.edu (Tue Nov 02 2004 - 01:03:42 CST)
Re: AMBER: MD & folding Bimo Ario Tejo (Tue Nov 02 2004 - 01:26:09 CST)
AMBER: about FEP Xiao He (Tue Nov 02 2004 - 02:29:43 CST)
AMBER: ESP fitting from Gaussian03 cube files Ye Mei (Tue Nov 02 2004 - 03:01:40 CST)
Re: AMBER: about FEP Annette Ho (Tue Nov 02 2004 - 04:44:03 CST)
Re: AMBER: about FEP david.evans_at_ulsop.ac.uk (Tue Nov 02 2004 - 05:28:44 CST)
Re: AMBER: about FEP Annette Höglund (Tue Nov 02 2004 - 05:58:27 CST)
Re: AMBER: about FEP david.evans_at_ulsop.ac.uk (Tue Nov 02 2004 - 06:42:25 CST)
Re: AMBER: about FEP David A. Case (Tue Nov 02 2004 - 10:19:27 CST)
Re: AMBER: about FEP Ray Luo (Tue Nov 02 2004 - 08:05:41 CST)
AMBER: MD & folding bybaker_at_itsa.ucsf.edu (Tue Nov 02 2004 - 15:31:31 CST)
Re: AMBER: MD & folding Carlos Simmerling (Tue Nov 02 2004 - 17:03:41 CST)
AMBER: MD & folding bybaker_at_itsa.ucsf.edu (Tue Nov 02 2004 - 18:05:00 CST)
AMBER: Clustering in PTRAJ Stephen.Titmuss_at_csiro.au (Tue Nov 02 2004 - 19:38:31 CST)
Re: Re: AMBER: about FEP Xiao He (Tue Nov 02 2004 - 21:18:22 CST)
AMBER: SANDER BOMB in subroutine nonbond_list Marc Perea (Tue Nov 02 2004 - 06:45:34 CST)
AMBER: basis set Yanze Zhang (Tue Nov 02 2004 - 23:57:19 CST)
: AMBER: basis set ying xiong (Wed Nov 03 2004 - 00:43:52 CST)
AMBER: ESPGEN problems to read G03 output files Hernán Alonso (Wed Nov 03 2004 - 01:03:12 CST)
Re: Re: AMBER: about FEP Thomas Steinbrecher (Wed Nov 03 2004 - 02:07:51 CST)
Re: AMBER: ESPGEN problems to read G03 output files Jiten (Wed Nov 03 2004 - 02:33:04 CST)
AMBER: FEP and charges Annette Höglund (Wed Nov 03 2004 - 05:59:16 CST)
Re: AMBER: SANDER BOMB in subroutine nonbond_list David A. Case (Wed Nov 03 2004 - 12:05:15 CST)
AMBER: Extracting torsional angles for specific conformation Darian, Eva (Wed Nov 03 2004 - 12:12:33 CST)
AMBER: gaff parameter ambiguities Anthony Fejes (Wed Nov 03 2004 - 17:16:07 CST)
AMBER: MD simulation at pH=1 Kijeong Kwac (Wed Nov 03 2004 - 22:20:01 CST)
AMBER: Fluctuation in temperature anshul_at_imtech.res.in (Thu Nov 04 2004 - 16:09:58 CST)
AMBER: H-bonded waters selection pl (Thu Nov 04 2004 - 06:41:32 CST)
Re: AMBER: Fluctuation in temperature Oliver Hucke (Thu Nov 04 2004 - 12:14:36 CST)
AMBER: gaussian command line Yanze Zhang (Thu Nov 04 2004 - 13:40:27 CST)
RE: AMBER: Fluctuation in temperature Ross Walker (Thu Nov 04 2004 - 14:05:57 CST)
AMBER: Kara Wald (Thu Nov 04 2004 - 15:05:42 CST)
AMBER: Re: Antechamber Kara Wald (Thu Nov 04 2004 - 15:13:28 CST)
RE: AMBER: Re: Antechamber Ross Walker (Thu Nov 04 2004 - 15:31:48 CST)
Re: AMBER: FEP and charges Chunhu Tan (Thu Nov 04 2004 - 16:23:16 CST)
AMBER: ptraj problem Abd Ghani Abd Aziz (Thu Nov 04 2004 - 19:53:39 CST)
Re: AMBER: ptraj problem Thomas E. Cheatham, III (Thu Nov 04 2004 - 20:13:51 CST)
Re: AMBER: ptraj problem Abd Ghani Abd Aziz (Thu Nov 04 2004 - 20:39:37 CST)
AMBER: constructing a small colecule mathew k varghese (Thu Nov 04 2004 - 22:41:58 CST)
Re: AMBER: H-bonded waters selection Thomas E. Cheatham, III (Thu Nov 04 2004 - 23:05:24 CST)
AMBER: translational and rotational entropy hj zou (Fri Nov 05 2004 - 00:48:22 CST)
Re: AMBER: translational and rotational entropy Andreas Svrcek-Seiler (Fri Nov 05 2004 - 01:43:00 CST)
Re: AMBER: constructing a small colecule david.evans_at_ulsop.ac.uk (Fri Nov 05 2004 - 03:53:07 CST)
Re: AMBER: H-bonded waters selection pl (Fri Nov 05 2004 - 04:42:01 CST)
AMBER: end point contribution in MCTI Cai, Yufeng (Fri Nov 05 2004 - 08:12:11 CST)
AMBER: Amber7 compilation error Joe Nolan (Fri Nov 05 2004 - 09:17:39 CST)
AMBER: Problems using mm_pbsa.perl Daniel Wetzler (Fri Nov 05 2004 - 10:28:15 CST)
Re: AMBER: end point contribution in MCTI David A. Case (Fri Nov 05 2004 - 10:36:31 CST)
Re: AMBER: Problems using mm_pbsa.perl Holger Gohlke (Fri Nov 05 2004 - 10:41:39 CST)
Re: AMBER: Amber7 compilation error David A. Case (Fri Nov 05 2004 - 10:50:01 CST)
AMBER: ptraj radial Sandro Fornili (Fri Nov 05 2004 - 10:28:57 CST)
AMBER: Minimization failure: 1cbn Harianto (Fri Nov 05 2004 - 11:16:30 CST)
AMBER: Solvent exposure measurement Yuqin Cai (Fri Nov 05 2004 - 13:32:22 CST)
Re: AMBER: basis set FyD (Fri Nov 05 2004 - 13:55:06 CST)
Re: AMBER: ESPGEN problems to read G03 output files FyD (Fri Nov 05 2004 - 13:56:52 CST)
Re: AMBER: gaussian command line FyD (Fri Nov 05 2004 - 14:02:45 CST)
Re: AMBER: Minimization failure: 1cbn Bimo Ario Tejo (Fri Nov 05 2004 - 16:12:03 CST)
Re: AMBER: Minimization failure: 1cbn Bill Ross (Fri Nov 05 2004 - 16:32:41 CST)
AMBER: where is the VDW radius? Cai, Yufeng (Sat Nov 06 2004 - 09:42:29 CST)
Re: AMBER: where is the VDW radius? Oliver Hucke (Sat Nov 06 2004 - 13:16:00 CST)
AMBER: positive VDWAALS John (Sun Nov 07 2004 - 12:11:13 CST)
Re: AMBER: positive VDWAALS Michael Crowley (Sun Nov 07 2004 - 15:51:26 CST)
AMBER: mm_PBSA: problems calculating molecular surface for some snapshots Magne Olufsen (Mon Nov 08 2004 - 03:50:39 CST)
AMBER: time-averaged restraints John (Mon Nov 08 2004 - 14:21:51 CST)
Re: AMBER: Re: Antechamber Kara Wald (Mon Nov 08 2004 - 15:49:13 CST)
AMBER: amber 7 nmode on osx Knut Langsetmo (Mon Nov 08 2004 - 17:26:26 CST)
AMBER: salt bridge detection Ye Mei (Mon Nov 08 2004 - 20:33:21 CST)
AMBER: error message about the input file of sander Ru-Zhen Li (Mon Nov 08 2004 - 20:23:23 CST)
Re: AMBER: error message about the input file of sander Michael Crowley (Tue Nov 09 2004 - 00:48:03 CST)
Re: AMBER: error message about the input file of sander Ru-Zhen Li (Tue Nov 09 2004 - 06:20:40 CST)
Re: AMBER: error message about the input file of sander Ru-Zhen Li (Tue Nov 09 2004 - 06:49:26 CST)
AMBER: Problem with Water solute during MD Daniel Wetzler (Tue Nov 09 2004 - 07:20:13 CST)
Re: AMBER: Problem with Water solute during MD David A. Case (Tue Nov 09 2004 - 10:06:31 CST)
AMBER: Leap Greg Kellogg (Tue Nov 09 2004 - 10:24:43 CST)
Re: AMBER: Leap David A. Case (Tue Nov 09 2004 - 11:00:38 CST)
Re: AMBER: Problem with Water solute during MD Bill Ross (Tue Nov 09 2004 - 11:36:22 CST)
RE: AMBER: error message about the input file of sander Ross Walker (Tue Nov 09 2004 - 11:44:31 CST)
Re: AMBER: error message about the input file of sander Ru-Zhen Li (Tue Nov 09 2004 - 14:33:57 CST)
AMBER: IBELLY Harianto (Tue Nov 09 2004 - 14:40:58 CST)
AMBER: Solaris f77 Machine file for Amber7? Joe Nolan (Tue Nov 09 2004 - 16:13:58 CST)
AMBER: single strand simulation ding (Tue Nov 09 2004 - 18:12:17 CST)
Re: AMBER: single strand simulation Thomas E. Cheatham, III (Tue Nov 09 2004 - 18:32:58 CST)
Re: AMBER: Solaris f77 Machine file for Amber7? David A. Case (Tue Nov 09 2004 - 18:57:24 CST)
AMBER: Building the parallel version in AMBER 8 and GIBBS Ilyas Yildirim (Tue Nov 09 2004 - 21:03:54 CST)
Re: AMBER: Building the parallel version in AMBER 8 and GIBBS David A. Case (Tue Nov 09 2004 - 23:07:05 CST)
Re: AMBER: Problem with Water solute during MD Daniel Wetzler (Wed Nov 10 2004 - 04:19:11 CST)
Re: AMBER: Problem with Water solute during MD Bill Ross (Wed Nov 10 2004 - 09:20:23 CST)
Re: AMBER: Problem with Water solute during MD David A. Case (Wed Nov 10 2004 - 09:42:50 CST)
AMBER: AMBER Parameter Database Yanze Zhang (Wed Nov 10 2004 - 09:35:32 CST)
Re: AMBER: Solaris f77 Machine file for Amber7? Joe Nolan (Wed Nov 10 2004 - 10:45:50 CST)
Re: AMBER: Solaris f77 Machine file for Amber7? David A. Case (Wed Nov 10 2004 - 11:07:13 CST)
AMBER: parameter set Yanze Zhang (Wed Nov 10 2004 - 13:56:54 CST)
Re: AMBER: parameter set David A. Case (Wed Nov 10 2004 - 14:10:40 CST)
Re: AMBER: parameter set Bill Ross (Wed Nov 10 2004 - 14:17:25 CST)
Re: AMBER: Solaris f77 Machine file for Amber7? Joe Nolan (Wed Nov 10 2004 - 15:11:44 CST)
AMBER: About the parameter names Ilyas Yildirim (Wed Nov 10 2004 - 15:20:31 CST)
Re: AMBER: About the parameter names David A. Case (Wed Nov 10 2004 - 15:50:58 CST)
Re: AMBER: Solaris f77 Machine file for Amber7? David A. Case (Wed Nov 10 2004 - 15:49:47 CST)
AMBER: Can parallel simulation have a nonperiodic boundary condition? qlu_at_notes.cc.sunysb.edu (Wed Nov 10 2004 - 16:11:46 CST)
Re: AMBER: Solaris f77 Machine file for Amber7? Joe Nolan (Wed Nov 10 2004 - 16:43:54 CST)
Re: AMBER: Solaris f77 Machine file for Amber7? David A. Case (Wed Nov 10 2004 - 18:15:32 CST)
RE: AMBER: Can parallel simulation have a nonperiodic boundary condition? Ross Walker (Wed Nov 10 2004 - 18:26:27 CST)
Re: AMBER: Solaris f77 Machine file for Amber7? Joe Nolan (Thu Nov 11 2004 - 12:50:06 CST)
AMBER: ptraj MURAT CETINKAYA (Thu Nov 11 2004 - 15:19:45 CST)
Re: AMBER: Solaris f77 Machine file for Amber7? Joe Nolan (Thu Nov 11 2004 - 16:00:33 CST)
AMBER: Solvation free energy of a charged molecule. Chunhu Tan (Thu Nov 11 2004 - 19:53:58 CST)
AMBER: glibc version Ye Mei (Fri Nov 12 2004 - 00:04:00 CST)
Re: AMBER: Solvation free energy of a charged molecule. David A. Case (Fri Nov 12 2004 - 10:11:15 CST)
AMBER: AMBER 4 Manual? Ru-Zhen Li (Fri Nov 12 2004 - 11:02:16 CST)
AMBER: Energy change for isomerization reaction of cyclic peptide nlxc (Fri Nov 12 2004 - 12:03:00 CST)
Re: AMBER: Solvation free energy of a charged molecule. Chunhu Tan (Fri Nov 12 2004 - 12:43:32 CST)
AMBER: a quick question about carnal Haijun Yang (Fri Nov 12 2004 - 14:51:17 CST)
AMBER: the energy difference between sander and nmode xiaowei li (Fri Nov 12 2004 - 15:52:57 CST)
Re: AMBER: a quick question about carnal Bill Ross (Fri Nov 12 2004 - 15:53:41 CST)
Re: AMBER: Energy change for isomerization reaction of cyclic peptide David A. Case (Fri Nov 12 2004 - 16:02:10 CST)
Re: AMBER: AMBER 4 Manual? David A. Case (Fri Nov 12 2004 - 16:10:42 CST)
Re: AMBER: glibc version David A. Case (Fri Nov 12 2004 - 16:17:53 CST)
Re: AMBER: the energy difference between sander and nmode David A. Case (Fri Nov 12 2004 - 16:43:28 CST)
AMBER: xleap problems Kepa Koldo Burusco Goñi (Fri Nov 12 2004 - 13:33:42 CST)
Re: AMBER: xleap problems Ilyas Yildirim (Fri Nov 12 2004 - 17:58:21 CST)
Re: AMBER: xleap problems Mark Williamson (Fri Nov 12 2004 - 17:58:05 CST)
AMBER: Parameters for new residue? Satpal Virdee (Sat Nov 13 2004 - 13:34:27 CST)
Re: AMBER: Parameters for new residue? David A. Case (Sat Nov 13 2004 - 19:30:39 CST)
AMBER: convert .pdb to .mol2 bybaker_at_itsa.ucsf.edu (Sat Nov 13 2004 - 22:35:45 CST)
Re: AMBER: convert .pdb to .mol2 Ye Mei (Sat Nov 13 2004 - 22:57:32 CST)
AMBER: Babel bybaker_at_itsa.ucsf.edu (Sun Nov 14 2004 - 01:29:40 CST)
Re: AMBER: Babel Carlos Simmerling (Sun Nov 14 2004 - 08:02:17 CST)
AMBER: nmode:Number of atoms in -p and -c files do not agree! myang_at_vitamin.uni.cc (Sun Nov 14 2004 - 20:20:25 CST)
AMBER: restraintmask problem in ptraj Takanori TANAKA (Mon Nov 15 2004 - 05:06:23 CST)
Re: AMBER: restraintmask problem in ptraj Viktor Hornak (Mon Nov 15 2004 - 07:37:24 CST)
Re: AMBER: nmode:Number of atoms in -p and -c files do not agree! David A. Case (Mon Nov 15 2004 - 10:10:43 CST)
Re: AMBER: a quick question about carnal Haijun Yang (Mon Nov 15 2004 - 11:31:53 CST)
AMBER: gibbs compilation error Nelson Fonseca (Mon Nov 15 2004 - 11:41:27 CST)
Re: AMBER: gibbs compilation error David A. Case (Mon Nov 15 2004 - 12:18:12 CST)
AMBER: AMBER8 parallel job Emmanuel Giudice (Mon Nov 15 2004 - 01:39:50 CST)
Re: AMBER: nmode:Number of atoms in -p and -c files do not agree! myang_at_vitamin.uni.cc (Mon Nov 15 2004 - 13:58:58 CST)
AMBER: Re: Amber Re: Antechamber problems Kara Wald (Mon Nov 15 2004 - 15:05:19 CST)
Re: AMBER: nmode:Number of atoms in -p and -c files do not agree! David A. Case (Mon Nov 15 2004 - 15:43:15 CST)
AMBER: Can xleap to handle homology model altogether X-ray structure? Jack Lei (Mon Nov 15 2004 - 16:39:55 CST)
AMBER: ifort 8.0 Ilyas Yildirim (Mon Nov 15 2004 - 16:41:28 CST)
Re: AMBER: ifort 8.0 Jack Lei (Mon Nov 15 2004 - 16:46:01 CST)
Re: AMBER: Babel FyD (Mon Nov 15 2004 - 17:07:11 CST)
AMBER: Can xleap handle homology model altogether with X-ray structure? Jack Lei (Mon Nov 15 2004 - 17:08:44 CST)
AMBER: AMBER8 compiling error under Itanium 2. qlu_at_notes.cc.sunysb.edu (Mon Nov 15 2004 - 18:39:36 CST)
Re: AMBER: nmode:Number of atoms in -p and -c files do not agree! myang_at_vitamin.uni.cc (Mon Nov 15 2004 - 19:26:17 CST)
Re: AMBER: AMBER8 compiling error under Itanium 2. Ye Mei (Mon Nov 15 2004 - 19:46:52 CST)
AMBER: constant pH simulations reference Sergio E. Wong (Mon Nov 15 2004 - 19:50:16 CST)
Re: AMBER: constant pH simulations reference David A. Case (Mon Nov 15 2004 - 20:23:42 CST)
AMBER: ambpdb segmentation fault justin litchfield (Mon Nov 15 2004 - 20:57:14 CST)
FWD: RE: AMBER: xleap problems Kepa Koldo Burusco Goñi (Tue Nov 16 2004 - 04:56:40 CST)
AMBER: SUSE 9.1 and AMBER 8 Ilyas Yildirim (Tue Nov 16 2004 - 05:12:16 CST)
Re: AMBER: SUSE 9.1 and AMBER 8 Andreas Svrcek-Seiler (Tue Nov 16 2004 - 07:10:44 CST)
INSTALLATION GUIDE FOR IFORT AND AMBER8 IN LINUX SUSE 9.1 ....Re: AMBER: SUSE 9.1 and AMBER 8 Cenk Andac (Tue Nov 16 2004 - 08:19:03 CST)
AMBER: How to compile the downloadable RESP in UNIX Yanze Zhang (Tue Nov 16 2004 - 09:33:03 CST)
Re: AMBER: How to compile the downloadable RESP in UNIX Satpal Virdee (Tue Nov 16 2004 - 09:58:41 CST)
Re: AMBER: Can xleap to handle homology model altogether X-ray structure? David A. Case (Tue Nov 16 2004 - 10:13:11 CST)
Re: AMBER: Can xleap to handle homology model altogether X-ray structure? Joachim Reichelt (Tue Nov 16 2004 - 11:42:02 CST)
Re: AMBER: AMBER8 compiling error under Itanium 2. Jack Lei (Tue Nov 16 2004 - 11:32:23 CST)
AMBER: restrained options Toshifumi Yui (Tue Nov 16 2004 - 10:42:22 CST)
AMBER: <dV/dL> fluctuations in TI Nelson Fonseca (Wed Nov 17 2004 - 05:39:01 CST)
AMBER: Problem with a single aminoacid as inhibitor Daniel Wetzler (Wed Nov 17 2004 - 05:54:04 CST)
AMBER: Problem with a single aminoacid as inhibitor Daniel Wetzler (Wed Nov 17 2004 - 05:59:12 CST)
Re: AMBER: Problem with a single aminoacid as inhibitor Carlos Simmerling (Wed Nov 17 2004 - 06:43:08 CST)
Re: AMBER: Problem with a single aminoacid as inhibitor david.evans_at_ulsop.ac.uk (Wed Nov 17 2004 - 06:55:58 CST)
Re: AMBER: <dV/dL> fluctuations in TI Thomas Steinbrecher (Wed Nov 17 2004 - 07:06:40 CST)
AMBER: Problem to update antechamber package. Guillaume Bollot (Wed Nov 17 2004 - 07:50:49 CST)
Re: AMBER: Problem with a single aminoacid as inhibitor M. L. Dodson (Wed Nov 17 2004 - 09:29:26 CST)
Re: AMBER: Problem with a single aminoacid as inhibitor Daniel Wetzler (Wed Nov 17 2004 - 10:13:50 CST)
AMBER: RMS of energy in Minimization using SANDER Jack Lei (Wed Nov 17 2004 - 12:15:31 CST)
RE: AMBER: RMS of energy in Minimization using SANDER Ross Walker (Wed Nov 17 2004 - 12:36:25 CST)
RE: AMBER: ifort 8.0 Ross Walker (Wed Nov 17 2004 - 12:39:49 CST)
RE: AMBER: ambpdb segmentation fault Ross Walker (Wed Nov 17 2004 - 15:35:40 CST)
Re: AMBER: ambpdb segmentation fault justin litchfield (Wed Nov 17 2004 - 16:46:01 CST)
Re: AMBER: How to compile the downloadable RESP in UNIX Yanze Zhang (Wed Nov 17 2004 - 17:04:57 CST)
Re: AMBER: How to compile the downloadable RESP in UNIX Satpal Virdee (Thu Nov 18 2004 - 06:36:07 CST)
AMBER: Fifth European Workshop in Drug Design Andrea Tafi (Thu Nov 18 2004 - 06:35:02 CST)
AMBER: Diastereoisomers of ATP William Boxford (Thu Nov 18 2004 - 09:18:42 CST)
AMBER: calcium van der Waals parameters cailliez (Thu Nov 18 2004 - 10:53:23 CST)
Re: AMBER: calcium van der Waals parameters Bill Ross (Thu Nov 18 2004 - 12:25:49 CST)
Re: AMBER: How to compile the downloadable RESP in UNIX Yanze Zhang (Thu Nov 18 2004 - 14:10:13 CST)
Re: AMBER: <dV/dL> fluctuations in TI Chunhu Tan (Thu Nov 18 2004 - 16:57:05 CST)
AMBER: Problem with carnal on linux Sébastien Fiorucci (Fri Nov 19 2004 - 08:13:26 CST)
AMBER: SHAKE probelm Huang, Hai (Fri Nov 19 2004 - 10:25:24 CST)
RE: AMBER: Problem with carnal on linux Ross Walker (Fri Nov 19 2004 - 11:36:08 CST)
RE: AMBER: SHAKE probelm Ross Walker (Fri Nov 19 2004 - 11:35:18 CST)
AMBER: amber8 compilation lucian livadaru (Fri Nov 19 2004 - 12:51:00 CST)
Re: AMBER: <dV/dL> fluctuations in TI Chunhu Tan (Fri Nov 19 2004 - 13:07:03 CST)
AMBER: leap compiling problem on a 64-bit machine xhu1_at_memphis.edu (Fri Nov 19 2004 - 13:13:22 CST)
RE: AMBER: amber8 compilation Ross Walker (Fri Nov 19 2004 - 13:20:00 CST)
RE: AMBER: leap compiling problem on a 64-bit machine Ross Walker (Fri Nov 19 2004 - 13:32:01 CST)
AMBER: Electrolyte concentrations in MD arubin_at_unmc.edu (Fri Nov 19 2004 - 14:56:09 CST)
Re: AMBER: leap compiling problem on a 64-bit machine Bill Ross (Fri Nov 19 2004 - 15:14:07 CST)
RE: AMBER: SHAKE probelm Huang, Hai (Fri Nov 19 2004 - 16:56:54 CST)
RE: AMBER: SHAKE probelm Ross Walker (Fri Nov 19 2004 - 17:09:05 CST)
Re: RE: AMBER: leap compiling problem on a 64-bit machine xhu1_at_memphis.edu (Fri Nov 19 2004 - 17:51:58 CST)
Re: RE: AMBER: leap compiling problem on a 64-bit machine Tomas Linhart (Fri Nov 19 2004 - 19:14:51 CST)
Re: RE: AMBER: leap compiling problem on a 64-bit machine xhu1_at_memphis.edu (Sat Nov 20 2004 - 14:19:27 CST)
Re: RE: AMBER: leap compiling problem on a 64-bit machine Tomas Linhart (Sat Nov 20 2004 - 16:15:44 CST)
Re: RE: AMBER: leap compiling problem on a 64-bit machine xhu1_at_memphis.edu (Sun Nov 21 2004 - 16:52:02 CST)
Re: RE: AMBER: leap compiling problem on a 64-bit machine Tomas Linhart (Sun Nov 21 2004 - 17:22:25 CST)
Re: RE: AMBER: leap compiling problem on a 64-bit machine xhu1_at_memphis.edu (Sun Nov 21 2004 - 21:31:53 CST)
Re: AMBER: ambpdb segmentation fault justin litchfield (Sun Nov 21 2004 - 23:09:25 CST)
Re: AMBER: ambpdb segmentation fault Bill Ross (Sun Nov 21 2004 - 23:34:13 CST)
AMBER: calculation of pKa values Peter Trodler (Mon Nov 22 2004 - 02:32:25 CST)
AMBER: sander, MD problems Kepa Koldo Burusco Goñi (Mon Nov 22 2004 - 06:00:37 CST)
Re: AMBER: sander, MD problems Carlos Simmerling (Mon Nov 22 2004 - 06:53:29 CST)
Re: AMBER: calcium van der Waals parameters cailliez (Mon Nov 22 2004 - 11:10:30 CST)
Re: AMBER: calcium van der Waals parameters Bill Ross (Mon Nov 22 2004 - 12:57:09 CST)
Re: AMBER: calcium van der Waals parameters Piotr Cieplak (Mon Nov 22 2004 - 13:03:57 CST)
AMBER: problem solved: leap compiling problem on a 64-bit machine xhu1_at_memphis.edu (Mon Nov 22 2004 - 14:51:28 CST)
AMBER: New problem on our 64bit box: xleap Segmentation fault xhu1_at_memphis.edu (Mon Nov 22 2004 - 15:03:48 CST)
AMBER: LEaP compilation error on Solaris 9 Joe Nolan (Mon Nov 22 2004 - 15:21:41 CST)
Re: AMBER: New problem on our 64bit box: xleap Segmentation fault Bill Ross (Mon Nov 22 2004 - 15:27:21 CST)
RE: AMBER: New problem on our 64bit box: xleap Segmentation fault Ross Walker (Mon Nov 22 2004 - 15:29:13 CST)
AMBER: generating parmfile containing topology and parameter information Nitin Bhardwaj (Mon Nov 22 2004 - 15:29:00 CST)
AMBER: questions on dummy atom types in FEP setup Eric Hu (Mon Nov 22 2004 - 15:37:54 CST)
RE: AMBER: generating parmfile containing topology and parameter information Ross Walker (Mon Nov 22 2004 - 15:46:30 CST)
Re: AMBER: LEaP compilation error on Solaris 9 David A. Case (Mon Nov 22 2004 - 16:02:35 CST)
AMBER: mm_pbsa +fillratio Carsten Detering (Mon Nov 22 2004 - 17:14:55 CST)
Re: AMBER: LEaP compilation error on Solaris 9 Bill Ross (Mon Nov 22 2004 - 16:16:10 CST)
RE: AMBER: amber8 compilation lucian livadaru (Mon Nov 22 2004 - 16:22:43 CST)
Re: RE: AMBER: New problem on our 64bit box: xleap Segmentation fault xhu1_at_memphis.edu (Mon Nov 22 2004 - 16:37:03 CST)
Re: AMBER: New problem on our 64bit box: xleap Segmentation fault xhu1_at_memphis.edu (Mon Nov 22 2004 - 16:38:37 CST)
Re: AMBER: problem solved: leap compiling problem on a 64-bit machine Bill Ross (Mon Nov 22 2004 - 16:37:58 CST)
RE: AMBER: amber8 compilation Ross Walker (Mon Nov 22 2004 - 16:48:03 CST)
Re: AMBER: mm_pbsa +fillratio David A. Case (Mon Nov 22 2004 - 17:20:03 CST)
Re: AMBER: mm_pbsa +fillratio Carsten Detering (Mon Nov 22 2004 - 18:38:13 CST)
Re: AMBER: questions on dummy atom types in FEP setup Chunhu Tan (Mon Nov 22 2004 - 17:37:57 CST)
Re: AMBER: problem solved: leap compiling problem on a 64-bit machine xhu1_at_memphis.edu (Mon Nov 22 2004 - 17:48:43 CST)
RE: AMBER: generating parmfile containing topology and parameter information Nitin Bhardwaj (Mon Nov 22 2004 - 17:53:07 CST)
Re: AMBER: generating parmfile containing topology and parameter information David A. Case (Mon Nov 22 2004 - 18:12:20 CST)
AMBER: Problem with converting AMBER PREP to MOL2 Cenk Andac (Mon Nov 22 2004 - 18:13:39 CST)
AMBER: mm_pbsa + vertex atom mismatch Carsten Detering (Mon Nov 22 2004 - 21:01:28 CST)
Re: AMBER: questions on dummy atom types in FEP setup Eric Hu (Mon Nov 22 2004 - 20:22:45 CST)
AMBER: Resend: Problem with converting AMBER8 PREP to MOL2 Cenk Andac (Tue Nov 23 2004 - 02:57:55 CST)
AMBER: langevin dynamic in sander Stefano.Pieraccini_at_unimi.it (Tue Nov 23 2004 - 03:33:08 CST)
AMBER: TI with electrostatic decoupling Nelson Fonseca (Tue Nov 23 2004 - 03:56:44 CST)
AMBER: restart calculation tang kwa (Tue Nov 23 2004 - 04:31:22 CST)
AMBER: Problem with minimisation of an protein-inhibitor complex Daniel Wetzler (Tue Nov 23 2004 - 04:31:33 CST)
Re: AMBER: restart calculation Tomas Linhart (Tue Nov 23 2004 - 04:53:29 CST)
Re: AMBER: restart calculation tang kwa (Tue Nov 23 2004 - 05:44:45 CST)
AMBER: Problem with minimisation of an protein-inhibitor complex Daniel Wetzler (Tue Nov 23 2004 - 06:31:38 CST)
Re: AMBER: restart calculation Carlos Simmerling (Tue Nov 23 2004 - 06:45:28 CST)
AMBER: add dummy atoms tang kwa (Tue Nov 23 2004 - 08:27:05 CST)
Re: AMBER: Problem with converting AMBER PREP to MOL2 David A. Case (Tue Nov 23 2004 - 10:12:06 CST)
Re: AMBER: langevin dynamic in sander David A. Case (Tue Nov 23 2004 - 10:21:30 CST)
Re: AMBER: add dummy atoms David A. Case (Tue Nov 23 2004 - 10:27:48 CST)
Re: AMBER: restart calculation David A. Case (Tue Nov 23 2004 - 10:39:37 CST)
Re: AMBER: TI with electrostatic decoupling David A. Case (Tue Nov 23 2004 - 10:42:16 CST)
Re: AMBER: Problem with converting AMBER PREP to MOL2 david.evans_at_ulsop.ac.uk (Tue Nov 23 2004 - 11:06:22 CST)
RE: AMBER: restart calculation Ross Walker (Tue Nov 23 2004 - 12:02:12 CST)
Re: AMBER: Problem with converting AMBER PREP to MOL2 Bill Ross (Tue Nov 23 2004 - 12:00:31 CST)
RE: AMBER: Problem with minimisation of an protein-inhibitor complex Ross Walker (Tue Nov 23 2004 - 12:16:04 CST)
AMBER: Antechamber problems Kara Wald (Tue Nov 23 2004 - 12:49:43 CST)
Re: AMBER: TI with electrostatic decoupling Chunhu Tan (Tue Nov 23 2004 - 13:01:48 CST)
RE: AMBER: SHAKE probelm Huang, Hai (Tue Nov 23 2004 - 16:01:25 CST)
AMBER: md.out & plot bybaker_at_itsa.ucsf.edu (Tue Nov 23 2004 - 16:23:41 CST)
Re: AMBER: md.out & plot Luis Gracia (Tue Nov 23 2004 - 16:43:33 CST)
RE: AMBER: md.out & plot Ross Walker (Tue Nov 23 2004 - 16:59:58 CST)
AMBER: cannot load frcmod file properly Eric Hu (Tue Nov 23 2004 - 17:10:17 CST)
AMBER: Re: md.out & plot bybaker_at_itsa.ucsf.edu (Tue Nov 23 2004 - 19:26:36 CST)
AMBER: build a cyclic peptide Eric Hu (Tue Nov 23 2004 - 19:34:13 CST)
Re: AMBER: cannot load frcmod file properly Chunhu Tan (Tue Nov 23 2004 - 20:12:42 CST)
Re: AMBER: build a cyclic peptide Bill Ross (Tue Nov 23 2004 - 20:33:04 CST)
AMBER: Installation of AMBER8 on AMD cluster using pgf90 Hwankyu Lee (Tue Nov 23 2004 - 20:41:13 CST)
Re: AMBER: build a cyclic peptide Carlos Simmerling (Tue Nov 23 2004 - 20:43:13 CST)
Re: AMBER: Re: md.out & plot Furse, Kristina Elisabet (Tue Nov 23 2004 - 22:29:37 CST)
Re: AMBER: Re: md.out & plot Furse, Kristina Elisabet (Tue Nov 23 2004 - 22:37:21 CST)
AMBER: Re: md.out & plot bybaker_at_itsa.ucsf.edu (Wed Nov 24 2004 - 00:21:10 CST)
Re: AMBER: Installation of AMBER8 on AMD cluster using pgf90 David A. Case (Wed Nov 24 2004 - 01:03:55 CST)
Re: AMBER: Installation of AMBER8 on AMD cluster using pgf90 Hwankyu Lee (Wed Nov 24 2004 - 08:03:28 CST)
AMBER: missing XaLeap_wcl file Nitin Bhardwaj (Wed Nov 24 2004 - 12:22:04 CST)
Re: AMBER: cannot load frcmod file properly Eric Hu (Wed Nov 24 2004 - 12:28:02 CST)
AMBER: extracting energy from trajector? MURAT CETINKAYA (Wed Nov 24 2004 - 12:33:04 CST)
Re: AMBER: build a cyclic peptide Eric Hu (Wed Nov 24 2004 - 12:26:44 CST)
Re: AMBER: build a cyclic peptide Bill Ross (Wed Nov 24 2004 - 12:39:15 CST)
Re: AMBER: build a cyclic peptide Carlos Simmerling (Wed Nov 24 2004 - 12:56:57 CST)
Re: AMBER: extracting energy from trajector? Bill Ross (Wed Nov 24 2004 - 12:50:30 CST)
Re: AMBER: extracting energy from trajector? Carlos Simmerling (Wed Nov 24 2004 - 12:55:49 CST)
Re: AMBER: extracting energy from trajector? Carlos Simmerling (Wed Nov 24 2004 - 13:07:12 CST)
Re: AMBER: extracting energy from trajector? Bill Ross (Wed Nov 24 2004 - 13:33:29 CST)
Re: AMBER: extracting energy from trajector? David Smith (Wed Nov 24 2004 - 13:29:34 CST)
Re: AMBER: build a cyclic peptide Eric Hu (Wed Nov 24 2004 - 14:11:18 CST)
Re: AMBER: build a cyclic peptide Carlos Simmerling (Wed Nov 24 2004 - 14:33:10 CST)
Re: AMBER: cannot load frcmod file properly Chunhu Tan (Wed Nov 24 2004 - 14:37:46 CST)
Re: AMBER: build a cyclic peptide Bill Ross (Wed Nov 24 2004 - 15:56:44 CST)
AMBER: nucgen problem opitz_at_che.udel.edu (Wed Nov 24 2004 - 16:08:52 CST)
Re: AMBER: nucgen problem david.evans_at_ulsop.ac.uk (Thu Nov 25 2004 - 03:04:28 CST)
AMBER: Regarding Dielectric Constant in AMBER8 pande.vineet_at_fc.up.pt (Thu Nov 25 2004 - 09:22:41 CST)
Re: AMBER: Regarding Dielectric Constant in AMBER8 Carlos Simmerling (Thu Nov 25 2004 - 09:50:12 CST)
Re: AMBER: Regarding Dielectric Constant in AMBER8 pande.vineet_at_fc.up.pt (Thu Nov 25 2004 - 10:03:27 CST)
Re: AMBER: Regarding Dielectric Constant in AMBER8 Carlos Simmerling (Thu Nov 25 2004 - 10:45:34 CST)
Re: AMBER: nucgen problem Bill Ross (Thu Nov 25 2004 - 11:08:14 CST)
Re: AMBER: question about molsurf Chris Page (Thu Nov 25 2004 - 12:45:28 CST)
Re: AMBER: Regarding Dielectric Constant in AMBER8 pande.vineet_at_fc.up.pt (Fri Nov 26 2004 - 02:45:50 CST)
Re: AMBER: Regarding Dielectric Constant in AMBER8 Carlos Simmerling (Fri Nov 26 2004 - 08:02:56 CST)
Re: AMBER: Regarding Dielectric Constant in AMBER8 pande.vineet_at_fc.up.pt (Fri Nov 26 2004 - 10:45:47 CST)
Re: AMBER: Regarding Dielectric Constant in AMBER8 pande.vineet_at_fc.up.pt (Fri Nov 26 2004 - 10:35:43 CST)
Re: AMBER: Regarding Dielectric Constant in AMBER8 Carlos Simmerling (Fri Nov 26 2004 - 10:55:48 CST)
Re: AMBER: Regarding Dielectric Constant in AMBER8 pande.vineet_at_fc.up.pt (Fri Nov 26 2004 - 12:59:19 CST)
Re: AMBER: Regarding Dielectric Constant in AMBER8 Carlos Simmerling (Fri Nov 26 2004 - 13:24:59 CST)
AMBER: combine crd files bybaker_at_itsa.ucsf.edu (Fri Nov 26 2004 - 16:54:43 CST)
AMBER: sander.QMMM on Mac justin litchfield (Fri Nov 26 2004 - 17:17:35 CST)
Re: AMBER: combine crd files Furse, Kristina Elisabet (Fri Nov 26 2004 - 17:42:09 CST)
Re: AMBER: combine crd files Carlos Simmerling (Fri Nov 26 2004 - 18:03:28 CST)
RE: AMBER: sander.QMMM on Mac Ross Walker (Fri Nov 26 2004 - 19:56:56 CST)
AMBER: Protein with maximum hydrogen bonds anshul_at_imtech.res.in (Sat Nov 27 2004 - 11:23:43 CST)
RE: AMBER: Protein with maximum hydrogen bonds Ross Walker (Sat Nov 27 2004 - 01:15:34 CST)
AMBER: About Disulfer bond Xiao He (Sat Nov 27 2004 - 02:11:00 CST)
Re: AMBER: sander.QMMM on Mac justin litchfield (Sat Nov 27 2004 - 02:29:26 CST)
Re: AMBER: Protein with maximum hydrogen bonds pande.vineet_at_fc.up.pt (Sat Nov 27 2004 - 08:13:58 CST)
Fwd: Re: AMBER: Protein with maximum hydrogen bonds pande.vineet_at_fc.up.pt (Sat Nov 27 2004 - 08:19:31 CST)
Re: AMBER: Protein with maximum hydrogen bonds Sanjeev B.S. (Sat Nov 27 2004 - 09:14:01 CST)
Re: AMBER: About Disulfer bond David A. Case (Sat Nov 27 2004 - 12:05:28 CST)
AMBER: xfl90 and xlc "C" compiler Dr. Noah Allen (Sat Nov 27 2004 - 14:05:28 CST)
Re: AMBER: xfl90 and xlc "C" compiler justin litchfield (Sat Nov 27 2004 - 14:42:22 CST)
AMBER: GO lie Amber simulation Alena Shmygelska (Sat Nov 27 2004 - 15:48:53 CST)
Re: AMBER: GO lie Amber simulation David A. Case (Sat Nov 27 2004 - 17:37:45 CST)
AMBER: saving trajectory parameters Ed Pate (Sat Nov 27 2004 - 18:17:40 CST)
RE: AMBER: saving trajectory parameters Ross Walker (Sat Nov 27 2004 - 18:52:03 CST)
AMBER: MD run: frozen bybaker_at_itsa.ucsf.edu (Sun Nov 28 2004 - 00:17:36 CST)
RE: AMBER: MD run: frozen Ross Walker (Sun Nov 28 2004 - 01:00:37 CST)
Re: AMBER: MD run: frozen Carlos Simmerling (Sun Nov 28 2004 - 09:32:25 CST)
AMBER: FEP - GIBBS of charged sidechains using IELPER Annette Höglund (Sun Nov 28 2004 - 11:26:06 CST)
Re: AMBER: FEP - GIBBS of charged sidechains using IELPER David A. Case (Sun Nov 28 2004 - 17:28:43 CST)
Re: AMBER: MD run: frozen bybaker_at_itsa.ucsf.edu (Sun Nov 28 2004 - 18:39:30 CST)
Re: AMBER: extracting energy from trajector? MURAT CETINKAYA (Sun Nov 28 2004 - 18:59:27 CST)
AMBER: question! Marsita M (Sun Nov 28 2004 - 21:01:41 CST)
Re: AMBER: extracting energy from trajector? David Smith (Mon Nov 29 2004 - 06:37:41 CST)
Re: AMBER: extracting energy from trajector? David Smith (Mon Nov 29 2004 - 07:04:52 CST)
AMBER: problem in quasih.f diagonalising matrix Phineus Markwick (Mon Nov 29 2004 - 07:14:35 CST)
Re: AMBER: extracting energy from trajector? MURAT CETINKAYA (Mon Nov 29 2004 - 09:31:14 CST)
Re: AMBER: problem in quasih.f diagonalising matrix David A. Case (Mon Nov 29 2004 - 10:38:46 CST)
Re: AMBER: extracting energy from trajector? David Smith (Mon Nov 29 2004 - 10:54:53 CST)
AMBER: Leap & x86_64 / PGI (was: xleap solvatebox/oct problem) Hannes Barsch (Mon Nov 29 2004 - 11:02:15 CST)
Re: AMBER: extracting energy from trajector? MURAT CETINKAYA (Mon Nov 29 2004 - 11:20:12 CST)
Re: AMBER: extracting energy from trajector? David Smith (Mon Nov 29 2004 - 11:39:30 CST)
AMBER: Restrained minimization problem opitz_at_che.udel.edu (Mon Nov 29 2004 - 16:11:56 CST)
Re: AMBER: Restrained minimization problem Bill Ross (Mon Nov 29 2004 - 16:31:54 CST)
Re: AMBER: Restrained minimization problem opitz_at_che.udel.edu (Mon Nov 29 2004 - 16:50:14 CST)
Re: AMBER: Restrained minimization problem opitz_at_che.udel.edu (Mon Nov 29 2004 - 16:56:47 CST)
Re: AMBER: Restrained minimization problem Thomas E. Cheatham, III (Mon Nov 29 2004 - 17:02:44 CST)
Re: AMBER: Restrained minimization problem Bill Ross (Mon Nov 29 2004 - 17:25:58 CST)
Re: AMBER: Restrained minimization problem David A. Case (Mon Nov 29 2004 - 17:27:41 CST)
Re: AMBER: Restrained minimization problem Furse, Kristina Elisabet (Mon Nov 29 2004 - 17:32:28 CST)
AMBER: increasing the maximum value of NPHB parameter Alena Shmygelska (Mon Nov 29 2004 - 23:05:08 CST)
AMBER: Slowly releasing restraints Marcin Krol (Tue Nov 30 2004 - 05:12:37 CST)
AMBER: amber8 parallel installation with mpich cailliez (Tue Nov 30 2004 - 06:24:41 CST)
Re: AMBER: amber8 parallel installation with mpich Marc Baaden (Tue Nov 30 2004 - 06:00:26 CST)
Re: AMBER: amber8 parallel installation with mpich Marc Baaden (Tue Nov 30 2004 - 06:27:18 CST)
AMBER: problem loading mdcrd to VMD Ru-Zhen Li (Tue Nov 30 2004 - 06:59:40 CST)
Re: AMBER: problem loading mdcrd to VMD Stefano.Pieraccini_at_unimi.it (Tue Nov 30 2004 - 08:04:07 CST)
Re: AMBER: problem loading mdcrd to VMD David Smith (Tue Nov 30 2004 - 08:19:24 CST)
Re: AMBER: problem loading mdcrd to VMD David E. Konerding (Tue Nov 30 2004 - 09:45:59 CST)
Re: AMBER: problem loading mdcrd to VMD Ru-Zhen Li (Tue Nov 30 2004 - 11:05:57 CST)
AMBER: Implicit 4r md yen li (Tue Nov 30 2004 - 10:58:34 CST)
Re: AMBER: problem loading mdcrd to VMD David Smith (Tue Nov 30 2004 - 11:44:16 CST)
Re: AMBER: problem loading mdcrd to VMD myang_at_vitamin.uni.cc (Tue Nov 30 2004 - 12:48:43 CST)
Re: AMBER: Slowly releasing restraints David A. Case (Tue Nov 30 2004 - 13:55:40 CST)
Re: AMBER: problem loading mdcrd to VMD John Bushnell (Tue Nov 30 2004 - 16:41:14 CST)
AMBER: Re: AMBER: problem loading mdcrd to VMD Dawsonzhu_at_aol.com (Tue Nov 30 2004 - 17:03:46 CST)
Re: AMBER: problem loading mdcrd to VMD Ru-Zhen Li (Tue Nov 30 2004 - 17:17:08 CST)
AMBER: memory prolem of the nmode calculation Xiao Jian Tan (Tue Nov 30 2004 - 17:24:18 CST)
Re: AMBER: memory prolem of the nmode calculation David A. Case (Tue Nov 30 2004 - 19:40:29 CST)
Re: AMBER: increasing the maximum value of NPHB parameter David A. Case (Tue Nov 30 2004 - 19:58:59 CST)
AMBER: FEP along a reaction coordinate in sander Tomasz Borowski (Wed Dec 01 2004 - 02:46:54 CST)
Re: AMBER: Implicit 4r md Stefano.Pieraccini_at_unimi.it (Wed Dec 01 2004 - 02:52:27 CST)
Re: AMBER: FEP along a reaction coordinate in sander Masataka Nagaoka (Wed Dec 01 2004 - 06:05:01 CST)
Re: AMBER: FEP along a reaction coordinate in sander David A. Case (Wed Dec 01 2004 - 11:38:45 CST)
Re: AMBER: Leap & x86_64 / PGI (was: xleap solvatebox/oct problem) David A. Case (Wed Dec 01 2004 - 11:44:12 CST)
AMBER: question about parallel simulation qlu_at_notes.cc.sunysb.edu (Wed Dec 01 2004 - 13:17:43 CST)
RE: AMBER: question about parallel simulation Ross Walker (Wed Dec 01 2004 - 14:40:19 CST)
AMBER: Re: INSTALLATION GUIDE FOR IFORT AND AMBER8 IN LINUX SUSE 9.1 ....Re: AMBER: SUSE 9.1 and AMBER 8 Ilyas Yildirim (Wed Dec 01 2004 - 15:12:49 CST)
AMBER: ntt parameter tang kwa (Wed Dec 01 2004 - 15:32:22 CST)
RE: AMBER: question about parallel simulation qlu_at_notes.cc.sunysb.edu (Wed Dec 01 2004 - 17:38:01 CST)
Re: AMBER: ntt parameter David A. Case (Wed Dec 01 2004 - 18:14:30 CST)
RE: AMBER: question about parallel simulation Ross Walker (Wed Dec 01 2004 - 19:00:33 CST)
Re: AMBER: Re: INSTALLATION GUIDE FOR IFORT AND AMBER8 IN LINUX SUSE 9.1 ....Re: AMBER: SUSE 9.1 and AMBER 8 Cenk Andac (Wed Dec 01 2004 - 21:04:31 CST)
Re: AMBER: increasing the maximum value of NPHB parameter Alena Shmygelska (Thu Dec 02 2004 - 01:42:44 CST)
Re: AMBER: ntt parameter David Smith (Thu Dec 02 2004 - 04:30:01 CST)
AMBER: restrainted torsion tang kwa (Thu Dec 02 2004 - 07:18:43 CST)
Re: AMBER: restrainted torsion David A. Case (Thu Dec 02 2004 - 13:12:19 CST)
(long) Re: AMBER: Leap & x86_64 / PGI (was: xleap solvatebox/oct problem) Tru Huynh (Thu Dec 02 2004 - 14:00:17 CST)
RE: AMBER: question about parallel simulation qlu_at_notes.cc.sunysb.edu (Thu Dec 02 2004 - 14:30:28 CST)
Re: AMBER: extracting energy from trajector? MURAT CETINKAYA (Thu Dec 02 2004 - 14:56:47 CST)
RE: AMBER: question about parallel simulation qlu_at_notes.cc.sunysb.edu (Thu Dec 02 2004 - 15:28:43 CST)
Re: AMBER: extracting energy from trajector? David Smith (Thu Dec 02 2004 - 15:30:59 CST)
RE: AMBER: question about parallel simulation Ross Walker (Thu Dec 02 2004 - 16:37:12 CST)
AMBER: nmode & mm-pbsa Shekter, Lee (Thu Dec 02 2004 - 20:50:45 CST)
Re: AMBER: Implicit 4r md yen li (Thu Dec 02 2004 - 23:14:06 CST)
AMBER: Residue Loading Problem Garhan Attebury (Fri Dec 03 2004 - 00:20:51 CST)
Re: AMBER: ntt parameter Ross Walker (Fri Dec 03 2004 - 01:11:31 CST)
Re: AMBER: Residue Loading Problem Furse, Kristina Elisabet (Fri Dec 03 2004 - 01:23:05 CST)
Re: AMBER: Residue Loading Problem david.evans_at_ulsop.ac.uk (Fri Dec 03 2004 - 03:41:13 CST)
Re: AMBER: Implicit 4r md David A. Case (Fri Dec 03 2004 - 10:48:00 CST)
AMBER: Dielectric Constant Marsita M (Sat Dec 04 2004 - 05:42:36 CST)
Re: AMBER: Dielectric Constant Bill Ross (Sat Dec 04 2004 - 14:22:33 CST)
Re: AMBER: Dielectric Constant David A. Case (Sat Dec 04 2004 - 17:15:10 CST)
AMBER: one question about dielectric dependent model Xiaowei (David) Li (Sun Dec 05 2004 - 11:42:56 CST)
AMBER: Compiling Antechamber/Amber8 with ia64_ifort Toru Yagi (Mon Dec 06 2004 - 00:25:02 CST)
Re: AMBER: Compiling Antechamber/Amber8 with ia64_ifort Andreas Svrcek-Seiler (Mon Dec 06 2004 - 02:56:34 CST)
AMBER: strange bond energies Magne Olufsen (Mon Dec 06 2004 - 07:42:16 CST)
Re: AMBER: strange bond energies Carlos Simmerling (Mon Dec 06 2004 - 08:22:10 CST)
AMBER: Wanxin Sun (Mon Dec 06 2004 - 09:06:25 CST)
Re: AMBER: Compiling Antechamber/Amber8 with ia64_ifort Jack Lei (Mon Dec 06 2004 - 09:11:05 CST)
AMBER: md's yen li (Mon Dec 06 2004 - 10:08:07 CST)
AMBER: cut-off & MD bybaker_at_itsa.ucsf.edu (Mon Dec 06 2004 - 14:49:04 CST)
RE: AMBER: cut-off & MD Ross Walker (Mon Dec 06 2004 - 15:17:30 CST)
AMBER: converting from NAMD trajectory format Stern, Julie (Mon Dec 06 2004 - 17:02:49 CST)
AMBER: FW: two processor amd 64 bit pc Spero Manolatos (Mon Dec 06 2004 - 19:36:33 CST)
RE: AMBER: FW: two processor amd 64 bit pc Ross Walker (Mon Dec 06 2004 - 21:17:41 CST)
AMBER: (no subject) Andrew Box (Mon Dec 06 2004 - 21:32:52 CST)
AMBER: install problem Kevin Murphy (Tue Dec 07 2004 - 04:23:11 CST)
Re: AMBER: install problem David A. Case (Tue Dec 07 2004 - 07:03:12 CST)
Re: AMBER: (no subject) David A. Case (Tue Dec 07 2004 - 07:00:49 CST)
AMBER: Gigabit Ethernet Switch/Opteron 246 jianhui wu (Tue Dec 07 2004 - 11:09:11 CST)
AMBER: 1-4 EEL tang kwa (Tue Dec 07 2004 - 11:12:54 CST)
RE: AMBER: Gigabit Ethernet Switch/Opteron 246 Ross Walker (Tue Dec 07 2004 - 12:11:24 CST)
AMBER: imin=5 in sander MURAT CETINKAYA (Tue Dec 07 2004 - 13:07:34 CST)
Re: AMBER: imin=5 in sander Carlos Simmerling (Mon Dec 06 2004 - 19:52:14 CST)
Re: AMBER: imin=5 in sander Asim Okur (Tue Dec 07 2004 - 14:47:38 CST)
Re: AMBER: imin=5 in sander Asim Okur (Tue Dec 07 2004 - 14:44:52 CST)
AMBER: question about mmpbsa xhu1_at_memphis.edu (Tue Dec 07 2004 - 19:20:19 CST)
AMBER: NMR constraint problem Andrew Box (Tue Dec 07 2004 - 21:06:02 CST)
AMBER: Why the surface calculations sometimes fail? hj zou (Wed Dec 08 2004 - 00:53:09 CST)
AMBER: some questions.... Germán Sciaini (Wed Dec 08 2004 - 10:49:55 CST)
Re: AMBER: question about mmpbsa cailliez (Wed Dec 08 2004 - 12:23:01 CST)
Re: AMBER: some questions.... David A. Case (Wed Dec 08 2004 - 12:04:13 CST)
Re: AMBER: NMR constraint problem David A. Case (Wed Dec 08 2004 - 12:08:11 CST)
Re: AMBER: 1-4 EEL David A. Case (Wed Dec 08 2004 - 12:13:08 CST)
Re: AMBER: David A. Case (Wed Dec 08 2004 - 13:49:41 CST)
Re: AMBER: Why the surface calculations sometimes fail? David A. Case (Wed Dec 08 2004 - 13:52:29 CST)
Re: AMBER: NMR constraint problem John Bushnell (Wed Dec 08 2004 - 14:39:32 CST)
Re: AMBER: question about mmpbsa xhu1_at_memphis.edu (Wed Dec 08 2004 - 16:23:27 CST)
Re: AMBER: converting from NAMD trajectory format Thomas E. Cheatham, III (Wed Dec 08 2004 - 18:53:50 CST)
Re: Re: AMBER: Why the surface calculations sometimes fail? hj zou (Wed Dec 08 2004 - 19:58:19 CST)
AMBER: calculate ligand's rmsd Yong Xu (Thu Dec 09 2004 - 00:11:15 CST)
RE: AMBER: calculate ligand's rmsd Ross Walker (Thu Dec 09 2004 - 00:00:30 CST)
AMBER: Implicit Solvent Models Nelson Fonseca (Thu Dec 09 2004 - 06:02:10 CST)
AMBER: pbsa error in mm_pbsa amber 8 Ben Cossins (Thu Dec 09 2004 - 08:58:19 CST)
Re: AMBER: pbsa error in mm_pbsa amber 8 Ben Cossins (Thu Dec 09 2004 - 09:19:20 CST)
Re: AMBER: pbsa error in mm_pbsa amber 8 david.evans_at_ulsop.ac.uk (Thu Dec 09 2004 - 10:15:52 CST)
AMBER: No radius found for 2412 Zn Zn Yong Xu (Fri Dec 10 2004 - 01:13:37 CST)
AMBER: how to prepare Zn.lib Yong Xu (Fri Dec 10 2004 - 01:50:16 CST)
Re: AMBER: No radius found for 2412 Zn Zn Holger Gohlke (Fri Dec 10 2004 - 02:21:45 CST)
Re: Re: AMBER: No radius found for 2412 Zn Zn Yong Xu (Fri Dec 10 2004 - 03:15:14 CST)
Re: AMBER: No radius found for 2412 Zn Zn Holger Gohlke (Fri Dec 10 2004 - 04:22:19 CST)
Re: AMBER: pbsa error in mm_pbsa amber 8 Ben Cossins (Fri Dec 10 2004 - 07:05:33 CST)
Re: AMBER: No radius found for 2412 Zn Zn Jack Lei (Fri Dec 10 2004 - 08:49:53 CST)
AMBER: question about md's yen li (Fri Dec 10 2004 - 09:27:39 CST)
Re: AMBER: Implicit Solvent Models David A. Case (Fri Dec 10 2004 - 10:51:12 CST)
Re: AMBER: pbsa error in mm_pbsa amber 8 Ray Luo (Fri Dec 10 2004 - 12:17:07 CST)
RE: AMBER: how to prepare Zn.lib Ross Walker (Fri Dec 10 2004 - 12:29:24 CST)
Re: AMBER: pbsa error in mm_pbsa amber 8 Ray Luo (Fri Dec 10 2004 - 15:36:53 CST)
AMBER: question about MGB and PB xhu1_at_memphis.edu (Fri Dec 10 2004 - 16:12:30 CST)
Re: Re: AMBER: No radius found for 2412 Zn Zn Yong Xu (Fri Dec 10 2004 - 23:53:18 CST)
AMBER: Why the charge is not an integer? mmv (Sun Dec 12 2004 - 03:44:36 CST)
Re: AMBER: Why the charge is not an integer? Guanglei Cui (Sun Dec 12 2004 - 10:21:32 CST)
Re: AMBER: Why the charge is not an integer? FyD (Sun Dec 12 2004 - 13:47:02 CST)
Re: AMBER: Why the charge is not an integer? David A. Case (Sun Dec 12 2004 - 15:05:57 CST)
AMBER: Binding free energy from separate/single trajectory yuann (Sun Dec 12 2004 - 23:01:17 CST)
AMBER: ptraj hbond memory allocation on opteron Fabian Boes (Mon Dec 13 2004 - 06:07:11 CST)
Re: AMBER: ptraj hbond memory allocation on opteron Andreas Svrcek-Seiler (Mon Dec 13 2004 - 10:07:25 CST)
RE: AMBER: Why the charge is not an integer? Ross Walker (Mon Dec 13 2004 - 12:15:13 CST)
AMBER: cobalt parameters Peter Gannett (Mon Dec 13 2004 - 19:21:50 CST)
Re: Re: AMBER: Why the surface calculations sometimes fail? David A. Case (Mon Dec 13 2004 - 20:29:17 CST)
AMBER: Workshop 2004, Tutorial #6, QMMM MD Simulation Ilyas Yildirim (Mon Dec 13 2004 - 22:34:34 CST)
AMBER: Why the charge is not an integer? Annette Höglund (Tue Dec 14 2004 - 01:39:11 CST)
Re: AMBER: pbsa error in mm_pbsa amber 8 Ben Cossins (Tue Dec 14 2004 - 07:41:08 CST)
Re: AMBER: ptraj hbond memory allocation on opteron Fabian Boes (Tue Dec 14 2004 - 08:33:42 CST)
Re: AMBER: pbsa error in mm_pbsa amber 8 david.evans_at_ulsop.ac.uk (Tue Dec 14 2004 - 09:28:24 CST)
Re: AMBER: pbsa error in mm_pbsa amber 8 Ray Luo (Wed Dec 15 2004 - 00:17:01 CST)
AMBER: entropy implementation in ptraj Raik Grünberg (Tue Dec 14 2004 - 11:37:18 CST)
RE: AMBER: Workshop 2004, Tutorial #6, QMMM MD Simulation Ross Walker (Tue Dec 14 2004 - 11:53:58 CST)
AMBER: Compiling question Yanze Zhang (Tue Dec 14 2004 - 13:27:53 CST)
Re: AMBER: Compiling question David A. Case (Tue Dec 14 2004 - 13:33:34 CST)
RE: AMBER: Compiling question Ross Walker (Tue Dec 14 2004 - 13:44:27 CST)
Re: AMBER: Compiling question Robert Duke (Tue Dec 14 2004 - 13:51:20 CST)
Re: AMBER: Compiling question James W. Caldwell (Tue Dec 14 2004 - 14:10:19 CST)
Re: AMBER: Compiling question Yanze Zhang (Tue Dec 14 2004 - 14:11:07 CST)
Re: AMBER: Why the charge is not an integer? John Mongan (Tue Dec 14 2004 - 21:10:49 CST)
Re: AMBER: pbsa error in mm_pbsa amber 8 Ben Cossins (Wed Dec 15 2004 - 06:04:50 CST)
AMBER: Ewald tang kwa (Wed Dec 15 2004 - 10:31:41 CST)
AMBER: unknown elements Youyi Peng (Wed Dec 15 2004 - 10:33:54 CST)
Re: AMBER: pbsa error in mm_pbsa amber 8 Ray Luo (Thu Dec 16 2004 - 17:58:29 CST)
Re: AMBER: unknown elements David A. Case (Wed Dec 15 2004 - 12:00:32 CST)
Re: AMBER: entropy implementation in ptraj David A. Case (Wed Dec 15 2004 - 12:07:50 CST)
Re: AMBER: Ewald David A. Case (Wed Dec 15 2004 - 12:17:04 CST)
AMBER: mm_pbsa Carsten Detering (Wed Dec 15 2004 - 15:57:13 CST)
AMBER: About MM/PBSA, PB Calculation nlxc (Wed Dec 15 2004 - 17:11:29 CST)
RE: AMBER: Workshop 2004, Tutorial #6, QMMM MD Simulation Ilyas Yildirim (Wed Dec 15 2004 - 18:47:05 CST)
AMBER: Free Energy Perturbation using Sander (TI Method) Ilyas Yildirim (Wed Dec 15 2004 - 20:43:09 CST)
AMBER: General Question about AMBER's Free Energy Perturbation Method Ilyas Yildirim (Wed Dec 15 2004 - 22:13:07 CST)
Re: Re: Re: AMBER: Why the surface calculations sometimes fail? hj zou (Wed Dec 15 2004 - 22:12:59 CST)
Re: AMBER: General Question about AMBER's Free Energy Perturbation Method David A. Case (Thu Dec 16 2004 - 01:03:18 CST)
AMBER: sander imin=5 MURAT CETINKAYA (Thu Dec 16 2004 - 02:01:45 CST)
Re: Re: Re: AMBER: Why the surface calculations sometimes fail? David A. Case (Thu Dec 16 2004 - 11:32:29 CST)
Re: AMBER: About MM/PBSA, PB Calculation David A. Case (Thu Dec 16 2004 - 11:38:32 CST)
Re: AMBER: About MM/PBSA, PB Calculation nlxc (Thu Dec 16 2004 - 16:31:13 CST)
Re: AMBER: Residue Loading Problem David A. Case (Thu Dec 16 2004 - 20:10:43 CST)
AMBER: nmode problem Yong Xu (Thu Dec 16 2004 - 22:16:23 CST)
AMBER: Question concerning ANAL total energy calculation Daniel Wetzler (Fri Dec 17 2004 - 06:04:05 CST)
Re: AMBER: entropy implementation in ptraj Raik Grünberg (Fri Dec 17 2004 - 08:44:13 CST)
Re: AMBER: Question concerning ANAL total energy calculation David A. Case (Fri Dec 17 2004 - 09:58:49 CST)
Re: AMBER: entropy implementation in ptraj David A. Case (Fri Dec 17 2004 - 10:11:29 CST)
AMBER: MD: Water network analysis + visualization Sanjeev B.S. (Fri Dec 17 2004 - 12:23:22 CST)
AMBER: nanotube parameters MURAT CETINKAYA (Fri Dec 17 2004 - 14:28:24 CST)
Re: AMBER: General Question about AMBER's Free Energy Perturbation Method Ilyas Yildirim (Fri Dec 17 2004 - 15:53:07 CST)
Re: AMBER: nanotube parameters Bill Ross (Fri Dec 17 2004 - 15:52:13 CST)
Re: AMBER: General Question about AMBER's Free Energy Perturbation Method David A. Case (Fri Dec 17 2004 - 17:26:34 CST)
Re: AMBER: nanotube parameters David A. Case (Fri Dec 17 2004 - 17:34:31 CST)
Re: AMBER: Question concerning ANAL total energy calculation Daniel Wetzler (Sat Dec 18 2004 - 03:33:26 CST)
Re: AMBER: Question concerning ANAL total energy calculation David A. Case (Sat Dec 18 2004 - 10:50:01 CST)
AMBER: Kinetics energy Germán Sciaini (Sat Dec 18 2004 - 11:54:04 CST)
Re: AMBER: Kinetics energy Carlos Simmerling (Sat Dec 18 2004 - 13:07:11 CST)
AMBER: Question on tleap of amber8 Okimoto Noriaki (Mon Dec 20 2004 - 03:00:38 CST)
Re: AMBER: nanotube parameters Andreas Svrcek-Seiler (Mon Dec 20 2004 - 04:02:56 CST)
Re: AMBER: Kinetics energy Andreas Svrcek-Seiler (Mon Dec 20 2004 - 04:11:10 CST)
AMBER: constraints on atoms cailliez (Mon Dec 20 2004 - 05:06:19 CST)
Re: AMBER: Question on tleap of amber8 David A. Case (Mon Dec 20 2004 - 11:27:07 CST)
AMBER: Sander TI Cai, Yufeng (Mon Dec 20 2004 - 12:11:29 CST)
AMBER: parameter development Sebastian Fernandez Alberti (Mon Dec 20 2004 - 13:34:42 CST)
Re: AMBER: Question concerning ANAL total energy calculation Daniel Wetzler (Mon Dec 20 2004 - 15:15:12 CST)
Re: AMBER: Question concerning ANAL total energy calculation David A. Case (Mon Dec 20 2004 - 16:10:08 CST)
AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules Jianwen Jiang (Mon Dec 20 2004 - 18:18:52 CST)
Re: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules Ilyas Yildirim (Mon Dec 20 2004 - 18:42:29 CST)
RE: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules Ross Walker (Mon Dec 20 2004 - 18:55:17 CST)
AMBER: cluster analysis with ptraj in amber 8.0 Eric Hu (Mon Dec 20 2004 - 20:01:26 CST)
AMBER: Dummy torsion paramters for thermodynamic integration Thomas Steinbrecher (Tue Dec 21 2004 - 02:25:31 CST)
Re: AMBER: cluster analysis with ptraj in amber 8.0 David Smith (Tue Dec 21 2004 - 02:47:46 CST)
AMBER: a question Germán Sciaini (Tue Dec 21 2004 - 08:10:14 CST)
AMBER: nrespa=2 Marsita M (Tue Dec 21 2004 - 09:19:58 CST)
Re: AMBER: Dummy torsion paramters for thermodynamic integration David A. Case (Tue Dec 21 2004 - 09:49:29 CST)
Re: AMBER: nrespa=2 David A. Case (Tue Dec 21 2004 - 09:52:53 CST)
Re: AMBER: nrespa=2 Carlos Simmerling (Tue Dec 21 2004 - 09:54:15 CST)
Re: AMBER: Sander TI David A. Case (Tue Dec 21 2004 - 10:15:50 CST)
Re: AMBER: parameter development David A. Case (Tue Dec 21 2004 - 10:53:19 CST)
Re: AMBER: constraints on atoms David A. Case (Tue Dec 21 2004 - 11:12:55 CST)
AMBER: Ideal bonds and angles Nhat-hang Duong (Tue Dec 21 2004 - 11:49:38 CST)
Re: AMBER: Ideal bonds and angles David A. Case (Tue Dec 21 2004 - 12:52:15 CST)
AMBER: TFE parameters Adrian E. Roitberg (Tue Dec 21 2004 - 14:34:29 CST)
Re: AMBER: a question David A. Case (Tue Dec 21 2004 - 16:07:51 CST)
Re: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules Jianwen Jiang (Tue Dec 21 2004 - 16:30:47 CST)
Re: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules Bill Ross (Tue Dec 21 2004 - 16:57:13 CST)
Re: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules Jianwen Jiang (Tue Dec 21 2004 - 20:22:00 CST)
RE: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules Ross Walker (Tue Dec 21 2004 - 23:26:48 CST)
AMBER: Output of sander Harianto (Wed Dec 22 2004 - 10:09:37 CST)
Re: AMBER: Output of sander David A. Case (Wed Dec 22 2004 - 11:35:27 CST)
Re: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules Jianwen Jiang (Wed Dec 22 2004 - 14:01:40 CST)
Re: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules David A. Case (Wed Dec 22 2004 - 15:50:00 CST)
Re: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules Jianwen Jiang (Wed Dec 22 2004 - 15:59:47 CST)
Re: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules David A. Case (Wed Dec 22 2004 - 18:39:57 CST)
AMBER: energy unit Chen Song (Wed Dec 22 2004 - 23:20:00 CST)
AMBER: amber7 on digital unix anshul_at_imtech.res.in (Thu Dec 23 2004 - 16:23:15 CST)
AMBER: Molecular modelling. Osman Gani (Thu Dec 23 2004 - 08:44:05 CST)
Re: AMBER: energy unit Harianto (Thu Dec 23 2004 - 10:25:32 CST)
Re: AMBER: amber7 on digital unix David A. Case (Thu Dec 23 2004 - 10:18:46 CST)
Re: AMBER: amber7 on digital unix anshul_at_imtech.res.in (Thu Dec 23 2004 - 21:15:47 CST)
Re: AMBER: amber7 on digital unix David A. Case (Thu Dec 23 2004 - 12:26:55 CST)
Re: AMBER: Output of sander Harianto (Thu Dec 23 2004 - 14:36:27 CST)
Re: AMBER: Output of sander David A. Case (Thu Dec 23 2004 - 15:35:49 CST)
AMBER: RMSD of ligand Yong Xu (Thu Dec 23 2004 - 18:26:14 CST)
Re: AMBER: Molecular modelling. David A. Case (Thu Dec 23 2004 - 20:03:50 CST)
AMBER: mm_gbsa results for charged ligands Cenk Andac (Fri Dec 24 2004 - 03:50:10 CST)
Re: AMBER: mm_gbsa results for charged ligands Holger Gohlke (Fri Dec 24 2004 - 04:31:22 CST)
AMBER: Problem with computing Resp charges using RED Cenk Andac (Sat Dec 25 2004 - 09:54:54 CST)
AMBER: input conversion error [Amber8] Bimo Ario Tejo (Tue Dec 28 2004 - 23:15:58 CST)
AMBER: NSCM Alberto p (Wed Dec 29 2004 - 06:07:48 CST)
Re: AMBER: Problem with computing Resp charges using RED FyD (Wed Dec 29 2004 - 14:54:05 CST)
AMBER: MM_PBSA calculations Jiten (Thu Dec 30 2004 - 01:22:25 CST)
AMBER: MM_PBSA calculation error Jiten (Thu Dec 30 2004 - 04:57:30 CST)
AMBER: MD simulations on heparin and heparin sulfate Harald Lanig (Thu Dec 30 2004 - 10:23:24 CST)
Re: AMBER: Problem with computing Resp charges using RED Cenk Andac (Thu Dec 30 2004 - 11:30:34 CST)
AMBER: Dummy Atoms: How to create them? Ilyas Yildirim (Thu Dec 30 2004 - 19:23:02 CST)
Re: AMBER: Dummy Atoms: How to create them? David A. Case (Thu Dec 30 2004 - 21:55:59 CST)
AMBER: How is optimization done during energy minimization of the force field? fangyu liang (Thu Dec 30 2004 - 23:11:28 CST)
AMBER: mm_pbsa +fillratio Jiten (Fri Dec 31 2004 - 03:31:57 CST)
Re: AMBER: How is optimization done during energy minimization of the force field? myang (Fri Dec 31 2004 - 10:49:58 CST)
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