AMBER Archive (2004) - Feb 2004 By DateMost recent messages
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About this archive
Starting: Mon Feb 02 2004 - 07:31:51 CST
Ending: Sun Feb 29 2004 - 13:43:24 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 Małgorzata Jarończyk (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 Małgorzata Jarończyk (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 Małgorzata Jarończyk (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 Jeřábek (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 Jeřábek (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 Jeřábek (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? Małgorzata Jarończyk (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? Małgorzata Jarończyk (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: Problems with xleap Javier Perez Miron (Thu Feb 26 2004 - 19:18:11 CST)
Last message date: Thu May 05 2005 - 14:26:38 CDT
Archived on: Thu May 05 2005 - 14:29:59 CDT
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