AMBER Archive (2006) - Apr 2006 By Date

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Starting: Sat Apr 01 2006 - 07:17:02 CST
Ending: Sun Apr 30 2006 - 23:09:35 CDT

AMBER: what is the integration scheme for langevin dynamic used in amber8 Li Su (Sat Apr 01 2006 - 07:17:02 CST)
Re: AMBER: Announcement: Amber 9 is now available Thomas Patko (CSULB) (Sat Apr 01 2006 - 10:29:26 CST)
Re: AMBER: what is the integration scheme for langevin dynamic used in amber8 David A. Case (Sat Apr 01 2006 - 11:18:57 CST)
Re: AMBER: Announcement: Amber 9 is now available David A. Case (Sat Apr 01 2006 - 11:21:52 CST)
Re: AMBER: LES error carlos (Sat Apr 01 2006 - 12:04:46 CST)
AMBER: Different result for serial and parallel sander with IREST=1 (AMBER 8) ! Pradipta Bandyopadhyay (Mon Apr 03 2006 - 00:23:26 CDT)
Re: AMBER: Different result for serial and parallel sander with IREST=1 (AMBER 8) ! David A. Case (Mon Apr 03 2006 - 09:57:36 CDT)
Re: AMBER: Announcement: Amber 9 is now available Feng X Zhou (Mon Apr 03 2006 - 10:28:48 CDT)
Re: AMBER: Announcement: Amber 9 is now available FyD (Mon Apr 03 2006 - 13:00:44 CDT)
AMBER: RMS Wen Li (Mon Apr 03 2006 - 16:03:29 CDT)
Re: AMBER: RMS carlos (Mon Apr 03 2006 - 16:18:24 CDT)
AMBER: Semi-empirical parameterization -- van der Waals and H-bonding? Evan Kelly (Mon Apr 03 2006 - 17:28:27 CDT)
RE: AMBER: Semi-empirical parameterization -- van der Waals and H-bonding? Ross Walker (Mon Apr 03 2006 - 18:53:06 CDT)
AMBER: Entropy calculations with Nmode and ptraj Daniel Oehme (Tue Apr 04 2006 - 02:24:39 CDT)
AMBER: how to restrain the intramolecular hydrogen bond Ye Mei (Tue Apr 04 2006 - 04:35:42 CDT)
AMBER: errors in mm_pbsa.in in AMBER 8 mannul ? tonglei (Tue Apr 04 2006 - 08:10:59 CDT)
Re: AMBER: RMS Wen Li (Tue Apr 04 2006 - 08:59:04 CDT)
Re: AMBER: RMS (fwd) Wen Li (Tue Apr 04 2006 - 10:02:02 CDT)
Re: AMBER: RMS (fwd) Wen Li (Tue Apr 04 2006 - 10:17:14 CDT)
AMBER: Any difference about RESP or ESP with Chelpg or MK Jianzhong Liu (Tue Apr 04 2006 - 10:51:36 CDT)
Re: AMBER: Any difference about RESP or ESP with Chelpg or MK FyD (Tue Apr 04 2006 - 12:01:40 CDT)
Re: AMBER: errors in mm_pbsa.in in AMBER 8 mannul ? David A. Case (Tue Apr 04 2006 - 17:11:51 CDT)
Re: AMBER: Any difference about RESP or ESP with Chelpg or MK David Mobley (Tue Apr 04 2006 - 17:13:30 CDT)
AMBER: Using XML for Amber files David A. Case (Tue Apr 04 2006 - 17:42:35 CDT)
Re: AMBER: Entropy calculations with Nmode and ptraj David A. Case (Tue Apr 04 2006 - 17:50:55 CDT)
Re: AMBER: how to restrain the intramolecular hydrogen bond David A. Case (Tue Apr 04 2006 - 17:52:52 CDT)
AMBER: Obtaining an average structure from a trajectory Alfredo Quevedo (Tue Apr 04 2006 - 18:11:02 CDT)
RE: AMBER: Obtaining an average structure from a trajectory Ross Walker (Tue Apr 04 2006 - 19:07:18 CDT)
AMBER: molsurf or LCPO method in MM_GB/SA? tonglei (Tue Apr 04 2006 - 20:25:37 CDT)
AMBER: one question about mm_pbsa ¶ÅÓÀ´º (Wed Apr 05 2006 - 01:47:06 CDT)
AMBER: nmode different units cristian obiol (Wed Apr 05 2006 - 05:47:04 CDT)
AMBER: Claire Zerafa (Wed Apr 05 2006 - 08:33:39 CDT)
Re: AMBER: David A. Case (Wed Apr 05 2006 - 09:46:18 CDT)
RE: AMBER: Using XML for Amber files Feng X Zhou (Wed Apr 05 2006 - 10:21:35 CDT)
AMBER: Restarting constant pressure sims with restraints Don.Bashford_at_stjude.org (Wed Apr 05 2006 - 13:08:41 CDT)
Re: AMBER: Restarting constant pressure sims with restraints David A. Case (Wed Apr 05 2006 - 13:24:38 CDT)
Re: AMBER: Restarting constant pressure sims with restraints Robert Duke (Wed Apr 05 2006 - 13:30:05 CDT)
AMBER: Question about interpretation of sander.QMMM results Cenk Andac (Thu Apr 06 2006 - 14:10:09 CDT)
AMBER: MM-GBSA decomposition sishi.tang_at_utoronto.ca (Thu Apr 06 2006 - 15:20:36 CDT)
AMBER: PCA venditti2_at_unisi.it (Thu Apr 06 2006 - 15:27:20 CDT)
Re: AMBER: one question about mm_pbsa JunJun Liu (Thu Apr 06 2006 - 16:48:20 CDT)
AMBER: organic molecule - from newbie :) Raffaella D'Auria (Thu Apr 06 2006 - 20:55:02 CDT)
RE: AMBER: organic molecule - from newbie :) Ross Walker (Thu Apr 06 2006 - 21:13:46 CDT)
AMBER: POPC parameters xiaoqin huang (Thu Apr 06 2006 - 22:18:10 CDT)
AMBER: NGL error when creating snapshots for MM/PB(GB)SA andy ng (Fri Apr 07 2006 - 01:05:50 CDT)
Re: AMBER: NGL error when creating snapshots for MM/PB(GB)SA andy ng (Fri Apr 07 2006 - 01:20:16 CDT)
Re: AMBER: POPC parameters David A. Case (Fri Apr 07 2006 - 11:14:53 CDT)
AMBER: angle between planes John (Fri Apr 07 2006 - 11:48:38 CDT)
AMBER: angle between planes John (Fri Apr 07 2006 - 11:55:59 CDT)
Re: AMBER: Using XML for Amber files Xuebin Qiao (Fri Apr 07 2006 - 12:52:08 CDT)
Re: AMBER: Using XML for Amber files Feng X Zhou (Fri Apr 07 2006 - 13:54:59 CDT)
AMBER: Umbrella sampling venditti2_at_unisi.it (Fri Apr 07 2006 - 15:04:55 CDT)
Re: AMBER: Umbrella sampling David A. Case (Fri Apr 07 2006 - 15:56:48 CDT)
Re: AMBER: angle between planes Chris Moth (Fri Apr 07 2006 - 16:19:26 CDT)
AMBER: mm-pbsa: distant-dependent dielectric constant lhsong (Sat Apr 08 2006 - 13:30:56 CDT)
Re: AMBER: mm-pbsa: distant-dependent dielectric constant David A. Case (Sun Apr 09 2006 - 00:23:15 CDT)
Re: AMBER: mm-pbsa: distant-dependent dielectric constant David A. Case (Sun Apr 09 2006 - 01:11:49 CDT)
Re: AMBER: PCA Holger Gohlke (Sun Apr 09 2006 - 13:09:06 CDT)
Re: AMBER: MM-GBSA decomposition Holger Gohlke (Sun Apr 09 2006 - 13:13:41 CDT)
AMBER: "average" command in ptraj Arjen-Joachim Jakobi (Mon Apr 10 2006 - 07:15:16 CDT)
AMBER: PB bomb in pb_atmlist(): MAXNEI too short snowyowls (Mon Apr 10 2006 - 07:55:12 CDT)
AMBER: printing Amber VdW radii as separate column in pdb files Vlad Cojocaru (Mon Apr 10 2006 - 09:41:51 CDT)
Re: AMBER: PCA venditti2_at_unisi.it (Mon Apr 10 2006 - 09:57:41 CDT)
Re: AMBER: PB bomb in pb_atmlist(): MAXNEI too short Scott Brozell (Mon Apr 10 2006 - 09:59:46 CDT)
Re: AMBER: printing Amber VdW radii as separate column in pdb files harianto (Mon Apr 10 2006 - 10:12:39 CDT)
Re: AMBER: printing Amber VdW radii as separate column in pdb files Vlad Cojocaru (Mon Apr 10 2006 - 10:43:18 CDT)
RE: AMBER: printing Amber VdW radii as separate column in pdb files Ross Walker (Mon Apr 10 2006 - 11:03:18 CDT)
AMBER: VdW radii in the topology file Vlad Cojocaru (Mon Apr 10 2006 - 11:14:16 CDT)
Re: AMBER: VdW radii in the topology file harianto (Mon Apr 10 2006 - 11:51:55 CDT)
Re: AMBER: PB bomb in pb_atmlist(): MAXNEI too short Ray Luo (Sun Apr 09 2006 - 21:44:44 CDT)
Re: AMBER: VdW radii in the topology file Vlad Cojocaru (Mon Apr 10 2006 - 12:01:33 CDT)
Re: AMBER: "average" command in ptraj Thomas E. Cheatham, III (Mon Apr 10 2006 - 13:06:20 CDT)
AMBER: reconstructing PMF Ioana Cozmuta (Mon Apr 10 2006 - 13:15:20 CDT)
Re: AMBER: "average" command in ptraj Arjen-Joachim Jakobi (Mon Apr 10 2006 - 13:50:34 CDT)
AMBER: "vector" command in ptraj Lishan Yao (Mon Apr 10 2006 - 13:20:56 CDT)
AMBER: protocols for NMR protein refinement with AMBER ohucke_at_lav.boehringer-ingelheim.com (Mon Apr 10 2006 - 15:43:44 CDT)
Re: AMBER: protocols for NMR protein refinement with AMBER David A. Case (Mon Apr 10 2006 - 15:55:43 CDT)
RE: AMBER: organic molecule - from newbie :) Raffaella D'Auria (Mon Apr 10 2006 - 17:12:44 CDT)
RE: AMBER: organic molecule - from newbie :) Ross Walker (Mon Apr 10 2006 - 17:41:56 CDT)
Re: AMBER: PB bomb in pb_atmlist(): MAXNEI too short snowyowls (Mon Apr 10 2006 - 22:09:35 CDT)
Re: AMBER: PB bomb in pb_atmlist(): MAXNEI too short snowyowls (Mon Apr 10 2006 - 22:07:40 CDT)
AMBER: the best force field for DNA Chengwen Chen (Mon Apr 10 2006 - 23:15:25 CDT)
Re: AMBER: PCA Holger Gohlke (Tue Apr 11 2006 - 07:27:26 CDT)
AMBER: RESP problem Simon Whitehead (Tue Apr 11 2006 - 08:44:00 CDT)
RE: AMBER: RESP problem Ross Walker (Tue Apr 11 2006 - 10:08:25 CDT)
Re: AMBER: RESP problem FyD (Tue Apr 11 2006 - 11:31:12 CDT)
AMBER: experiments with amber9 and fortran nag f95 on mac os x 10.4.3 Mathy Froeyen (Tue Apr 11 2006 - 12:44:40 CDT)
AMBER: How to evaluate the binding energy of a ligand? Alfredo Quevedo (Tue Apr 11 2006 - 12:53:50 CDT)
Re: AMBER: experiments with amber9 and fortran nag f95 on mac os x 10.4.3 David A. Case (Tue Apr 11 2006 - 13:19:59 CDT)
AMBER: An issue with the "multimolecule and multiconformational" resp fit Jason K (Tue Apr 11 2006 - 13:16:57 CDT)
AMBER: Nmode memory allocation error ? Junmei Wang (Tue Apr 11 2006 - 13:47:46 CDT)
Re: AMBER: Nmode memory allocation error ? David A. Case (Tue Apr 11 2006 - 14:09:26 CDT)
Re: AMBER: How to evaluate the binding energy of a ligand? David Mobley (Tue Apr 11 2006 - 14:27:13 CDT)
Re: AMBER: An issue with the "multimolecule and multiconformational" resp fit FyD (Tue Apr 11 2006 - 14:39:40 CDT)
AMBER: Constant P for non-orthorhombic cells Jennie Thomas (Tue Apr 11 2006 - 23:40:00 CDT)
AMBER: Mass wieghted Covariance Matrix Daniel Oehme (Wed Apr 12 2006 - 02:16:32 CDT)
Re: AMBER: Mass wieghted Covariance Matrix Holger Gohlke (Wed Apr 12 2006 - 02:46:19 CDT)
AMBER: deviations from idealized geometry Maarit Hellman (Wed Apr 12 2006 - 04:02:33 CDT)
Re: AMBER: Constant P for non-orthorhombic cells darden (Wed Apr 12 2006 - 07:41:14 CDT)
AMBER: saltcon with explicit water? Kenley Barrett (Wed Apr 12 2006 - 11:36:20 CDT)
Re: AMBER: Constant P for non-orthorhombic cells Michael Crowley (Wed Apr 12 2006 - 13:24:05 CDT)
Re: AMBER: Constant P for non-orthorhombic cells Jennie Thomas (Wed Apr 12 2006 - 13:36:47 CDT)
Re: AMBER: saltcon with explicit water? David A. Case (Wed Apr 12 2006 - 14:25:38 CDT)
Re: AMBER: saltcon with explicit water? Kenley Barrett (Wed Apr 12 2006 - 18:07:44 CDT)
Re: AMBER: saltcon with explicit water? Bill Ross (Wed Apr 12 2006 - 18:26:05 CDT)
AMBER: Which one is the best force field for DNA? Chengwen Chen (Wed Apr 12 2006 - 22:11:14 CDT)
AMBER:a problem in parallel compiler snowyowls (Wed Apr 12 2006 - 23:27:10 CDT)
AMBER: Dual Xeon mpich compilation error Simon Whitehead (Thu Apr 13 2006 - 02:56:47 CDT)
Re: AMBER: Which one is the best force field for DNA? Vlad Cojocaru (Thu Apr 13 2006 - 03:11:33 CDT)
AMBER:a problem in parallel compiler snowyowls (Thu Apr 13 2006 - 03:15:09 CDT)
AMBER: one question about mm_pbsa ¶ÅÓÀ´º (Thu Apr 13 2006 - 03:37:50 CDT)
AMBER: dual xeon mpich compilation problem: sorted Simon Whitehead (Thu Apr 13 2006 - 07:16:53 CDT)
Re: AMBER: one question about mm_pbsa Ray Luo (Thu Apr 13 2006 - 10:39:53 CDT)
AMBER: passwordless ssh stopped working Jan Dohnalek (Thu Apr 13 2006 - 10:51:50 CDT)
RE: AMBER:a problem in parallel compiler Ross Walker (Thu Apr 13 2006 - 10:54:43 CDT)
AMBER: Respgen segemtation fault Simon Whitehead (Thu Apr 13 2006 - 11:38:41 CDT)
AMBER: separating LES copies in moil view Amber admin (Thu Apr 13 2006 - 12:28:02 CDT)
Re: AMBER: Respgen segemtation fault David A. Case (Thu Apr 13 2006 - 13:46:55 CDT)
Re: AMBER: Which one is the best force field for DNA? David A. Case (Thu Apr 13 2006 - 16:41:03 CDT)
Re: AMBER: separating LES copies in moil view Carlos Simmerling (Thu Apr 13 2006 - 18:45:35 CDT)
Re: AMBER: one question about mm_pbsa ¶ÅÓÀ´º (Thu Apr 13 2006 - 21:26:49 CDT)
AMBER: Saving single coordinate set from Amber trajectory file as a restrt file. Sergey Krishtal (Thu Apr 13 2006 - 22:05:45 CDT)
Re: AMBER: Saving single coordinate set from Amber trajectory file as a restrt file. Vlad Cojocaru (Fri Apr 14 2006 - 04:18:41 CDT)
Re: AMBER: Which one is the best force field for DNA? Vlad Cojocaru (Fri Apr 14 2006 - 04:57:33 CDT)
Re: AMBER: Which one is the best force field for DNA? Jiri Sponer (Fri Apr 14 2006 - 05:31:24 CDT)
Re: AMBER: Which one is the best force field for DNA? David A. Case (Fri Apr 14 2006 - 10:27:52 CDT)
AMBER: MM-PBSA problem Miguel Ferreira (Fri Apr 14 2006 - 10:27:43 CDT)
Re: AMBER: Which one is the best force field for DNA? Thomas E. Cheatham, III (Fri Apr 14 2006 - 11:01:50 CDT)
Re: AMBER: Which one is the best force field for DNA? Vlad Cojocaru (Fri Apr 14 2006 - 11:30:23 CDT)
Re: AMBER: Which one is the best force field for DNA? Carlos Simmerling (Fri Apr 14 2006 - 11:41:04 CDT)
Re: AMBER: Which one is the best force field for DNA? Jiri Sponer (Fri Apr 14 2006 - 11:49:58 CDT)
Re: AMBER: MM-PBSA problem Ray Luo (Fri Apr 14 2006 - 11:57:52 CDT)
Re: AMBER: Which one is the best force field for DNA? Jiri Sponer (Fri Apr 14 2006 - 11:59:00 CDT)
Re: AMBER: Which one is the best force field for DNA? Vlad Cojocaru (Fri Apr 14 2006 - 12:01:27 CDT)
Re: AMBER: Which one is the best force field for DNA? Jiri Sponer (Fri Apr 14 2006 - 12:08:34 CDT)
Re: AMBER: Which one is the best force field for DNA? Thomas Cheatham (Fri Apr 14 2006 - 12:20:14 CDT)
Re: AMBER: Which one is the best force field for DNA? David A. Case (Fri Apr 14 2006 - 12:53:50 CDT)
Re: AMBER: Which one is the best force field for DNA? Carlos Simmerling (Fri Apr 14 2006 - 13:28:42 CDT)
AMBER: DNA tutorial, in vacuo minimization amanda.mccook_at_gatech.edu (Fri Apr 14 2006 - 14:15:31 CDT)
RE: AMBER: DNA tutorial, in vacuo minimization Ross Walker (Fri Apr 14 2006 - 14:34:32 CDT)
Re: AMBER: MM-PBSA problem Miguel Ferreira (Fri Apr 14 2006 - 16:07:20 CDT)
Re: AMBER: MM-PBSA problem Ray Luo (Fri Apr 14 2006 - 16:40:45 CDT)
AMBER: compile error: can't locate file for: -lcrt1.o xyu3 (Fri Apr 14 2006 - 17:37:50 CDT)
AMBER: amber memory usage Ed Pate (Fri Apr 14 2006 - 17:45:59 CDT)
Re: AMBER: amber memory usage Robert Duke (Fri Apr 14 2006 - 17:56:12 CDT)
Re: AMBER: compile error: can't locate file for: -lcrt1.o David A. Case (Fri Apr 14 2006 - 17:58:33 CDT)
AMBER: How I wasted a rainy Friday in San Diego David A. Case (Fri Apr 14 2006 - 19:24:00 CDT)
RE: AMBER: amber memory usage Ross Walker (Fri Apr 14 2006 - 19:28:31 CDT)
Re: AMBER: amber memory usage David A. Case (Fri Apr 14 2006 - 19:30:44 CDT)
AMBER: Calculation of g(r) from PTRAJ Ananda Rama Krishnan Selvaraj (Sun Apr 16 2006 - 05:33:25 CDT)
AMBER: amber7 compiling error linfu (Sun Apr 16 2006 - 10:26:17 CDT)
Re: AMBER: amber7 compiling error Scott Brozell (Sun Apr 16 2006 - 14:30:23 CDT)
AMBER: Could not find atom type. Sergey Krishtal (Mon Apr 17 2006 - 04:08:19 CDT)
AMBER: Force field for DNA Osmar Norberto de Souza (Mon Apr 17 2006 - 05:50:31 CDT)
Re: AMBER: Calculation of g(r) from PTRAJ David A. Case (Mon Apr 17 2006 - 11:45:27 CDT)
Re: AMBER: Could not find atom type. David A. Case (Mon Apr 17 2006 - 11:40:05 CDT)
RE: AMBER: Could not find atom type. Yong Duan (Mon Apr 17 2006 - 11:45:10 CDT)
Re: AMBER: MM-PBSA problem Miguel Ferreira (Mon Apr 17 2006 - 12:24:05 CDT)
Re: AMBER: Calculation of g(r) from PTRAJ Ananda Rama Krishnan Selvaraj (Mon Apr 17 2006 - 12:45:39 CDT)
AMBER: ambpdb and original PDB snoze pa (Mon Apr 17 2006 - 13:20:05 CDT)
RE: AMBER: ambpdb and original PDB Ross Walker (Mon Apr 17 2006 - 13:28:18 CDT)
Re: AMBER: ambpdb and original PDB Bill Ross (Mon Apr 17 2006 - 13:38:17 CDT)
Re: AMBER: ambpdb and original PDB snoze pa (Mon Apr 17 2006 - 13:48:55 CDT)
Re: AMBER: ambpdb and original PDB Mingfeng Yang (Mon Apr 17 2006 - 15:00:53 CDT)
Re: AMBER: ambpdb and original PDB Mingfeng Yang (Mon Apr 17 2006 - 15:05:43 CDT)
AMBER: probable bug in antechamber David Mobley (Mon Apr 17 2006 - 18:08:06 CDT)
Re: AMBER: probable bug in antechamber David A. Case (Mon Apr 17 2006 - 19:33:35 CDT)
AMBER: ibelly & fix atom rdauria_at_uci.edu (Mon Apr 17 2006 - 22:41:28 CDT)
Re: AMBER: ibelly & fix atom rdauria_at_uci.edu (Mon Apr 17 2006 - 22:59:56 CDT)
RE: AMBER: ibelly & fix atom Ross Walker (Mon Apr 17 2006 - 23:08:42 CDT)
RE: AMBER: ibelly & fix atom rdauria_at_uci.edu (Mon Apr 17 2006 - 23:22:16 CDT)
AMBER: Error in the MD run Ananda Rama Krishnan Selvaraj (Tue Apr 18 2006 - 01:13:04 CDT)
Re[2]: AMBER: Could not find atom type. Sergey Krishtal (Tue Apr 18 2006 - 05:48:07 CDT)
Re: AMBER: probable bug in antechamber David Mobley (Tue Apr 18 2006 - 08:52:13 CDT)
Re: AMBER: MM-GBSA decomposition sishi.tang_at_utoronto.ca (Sat Apr 15 2006 - 12:54:34 CDT)
RE: AMBER: Error in the MD run Ross Walker (Tue Apr 18 2006 - 10:35:41 CDT)
AMBER: RE: about the fix_numbering_pdb.csh in Amber Tutorial_eight Ross Walker (Tue Apr 18 2006 - 10:42:41 CDT)
Re: AMBER: Could not find atom type. David A. Case (Tue Apr 18 2006 - 18:06:21 CDT)
Re[2]: AMBER: Could not find atom type. Sergey Krishtal (Tue Apr 18 2006 - 21:56:30 CDT)
Re: AMBER: RE: about the fix_numbering_pdb.csh in Amber Tutorial_eight Shulin Zhuang (Wed Apr 19 2006 - 00:58:06 CDT)
RE: AMBER: RE: about the fix_numbering_pdb.csh in Amber Tutorial_eight Ross Walker (Wed Apr 19 2006 - 10:16:51 CDT)
AMBER: RE: Respgen segemtation fault Simon Whitehead (Wed Apr 19 2006 - 12:10:11 CDT)
AMBER: Installing Delphi to perform mm_pbsa analysis? Alfredo Quevedo (Wed Apr 19 2006 - 12:39:13 CDT)
Re: AMBER: Could not find atom type. David A. Case (Wed Apr 19 2006 - 14:37:33 CDT)
Re: AMBER: Installing Delphi to perform mm_pbsa analysis? David A. Case (Wed Apr 19 2006 - 14:43:46 CDT)
AMBER: timing estimates Ed Pate (Wed Apr 19 2006 - 18:10:30 CDT)
Re: AMBER: timing estimates Robert Duke (Wed Apr 19 2006 - 19:06:59 CDT)
Re: AMBER: RE: Respgen segemtation fault David A. Case (Thu Apr 20 2006 - 06:49:34 CDT)
Re: AMBER: RE: Respgen segemtation fault Simon Whitehead (Thu Apr 20 2006 - 07:30:48 CDT)
RE: AMBER: RE: Respgen segemtation fault - debug attempt Simon Whitehead (Thu Apr 20 2006 - 07:48:07 CDT)
Re: AMBER: RE: Respgen segemtation fault - debug attempt Mark Williamson (Thu Apr 20 2006 - 08:23:55 CDT)
AMBER: about the decomposition energies using mm/pbsa litong (Thu Apr 20 2006 - 08:34:11 CDT)
AMBER: Non-periodic simulations: How is the system kept together? pascal.baillod_at_epfl.ch (Thu Apr 20 2006 - 11:13:04 CDT)
RE: AMBER: RE: Respgen segemtation fault - debug attempt Simon Whitehead (Thu Apr 20 2006 - 11:30:51 CDT)
RE: AMBER: Non-periodic simulations: How is the system kept together? Ross Walker (Thu Apr 20 2006 - 11:35:26 CDT)
Re: AMBER: RE: Respgen segemtation fault - debug attempt Mark Williamson (Thu Apr 20 2006 - 11:56:55 CDT)
AMBER: Antechamber & atom types FyD (Thu Apr 20 2006 - 12:04:17 CDT)
AMBER: a question about "solvateoct" in AMBER 8 Chengwen Chen (Fri Apr 21 2006 - 01:48:14 CDT)
Re: AMBER: about the decomposition energies using mm/pbsa Holger Gohlke (Fri Apr 21 2006 - 02:25:44 CDT)
AMBER: Error when compiling amber9 ptraj Thomas Steinbrecher (Fri Apr 21 2006 - 03:19:54 CDT)
AMBER: a question german (Fri Apr 21 2006 - 06:04:54 CDT)
AMBER: problems with saveamberprep command JAVIER PEREZ (Fri Apr 21 2006 - 06:33:48 CDT)
Re: AMBER: Error when compiling amber9 ptraj David A. Case (Fri Apr 21 2006 - 07:08:15 CDT)
AMBER: mm_pbsa: "Missing values for MM ..." Sam (Fri Apr 21 2006 - 08:39:19 CDT)
AMBER: Problems compiling amber9 Thomas Steinbrecher (Fri Apr 21 2006 - 09:27:51 CDT)
AMBER: Fujitsu frt compiler Evan Kelly (Fri Apr 21 2006 - 09:53:40 CDT)
Re: AMBER: Problems compiling amber9 David A. Case (Fri Apr 21 2006 - 10:03:37 CDT)
Re: AMBER: Antechamber & atom types David A. Case (Fri Apr 21 2006 - 10:22:45 CDT)
Re: AMBER: a question about "solvateoct" in AMBER 8 Bill Ross (Fri Apr 21 2006 - 13:48:01 CDT)
Re: AMBER: a question about "solvateoct" in AMBER 8 Michael Crowley (Fri Apr 21 2006 - 14:50:52 CDT)
RE: AMBER: a question Ross Walker (Fri Apr 21 2006 - 15:35:51 CDT)
AMBER: amber9 compilation error on SGI altix Lihua Wang (Sat Apr 22 2006 - 12:58:26 CDT)
RE: AMBER: amber9 compilation error on SGI altix Ross Walker (Sat Apr 22 2006 - 14:21:24 CDT)
RE: AMBER: amber9 compilation error on SGI altix Lihua Wang (Sat Apr 22 2006 - 17:48:40 CDT)
AMBER: increase in computational time with LES Kenley Barrett (Sun Apr 23 2006 - 16:53:29 CDT)
Re: AMBER: increase in computational time with LES Adrian Roitberg (Sun Apr 23 2006 - 17:26:20 CDT)
Re: AMBER: increase in computational time with LES Kenley Barrett (Sun Apr 23 2006 - 17:46:56 CDT)
Re: AMBER: increase in computational time with LES Carlos Simmerling (Sun Apr 23 2006 - 18:00:20 CDT)
Re: AMBER: a question about "solvateoct" in AMBER 8 Chengwen Chen (Sun Apr 23 2006 - 23:13:30 CDT)
AMBER: LES copies Claudia Steinert (Mon Apr 24 2006 - 03:28:06 CDT)
Re: AMBER: LES copies Carlos Simmerling (Mon Apr 24 2006 - 06:14:20 CDT)
AMBER: a quetion german (Mon Apr 24 2006 - 06:17:34 CDT)
AMBER: modeling zinc binding site Jan Kosinski (Mon Apr 24 2006 - 07:28:55 CDT)
Re: AMBER: a quetion Mingfeng Yang (Mon Apr 24 2006 - 08:07:30 CDT)
RE: AMBER: a quetion Ross Walker (Mon Apr 24 2006 - 09:52:59 CDT)
Re: AMBER: a quetion darden (Mon Apr 24 2006 - 09:57:59 CDT)
AMBER: MM_PBSA: “Found unknown atflag DELPHI” haixiao jin (Mon Apr 24 2006 - 10:23:23 CDT)
Re: AMBER: a question Robert Duke (Mon Apr 24 2006 - 13:21:34 CDT)
Re: AMBER: MM_PBSA: “Found unknown atflag DELPHI” Ray Luo (Mon Apr 24 2006 - 13:40:28 CDT)
AMBER: rmsd value for organic molecule Varsha Goyal (Mon Apr 24 2006 - 14:00:20 CDT)
RE: AMBER: rmsd value for organic molecule Ross Walker (Mon Apr 24 2006 - 14:25:23 CDT)
RE: AMBER: rmsd value for organic molecule Varsha Goyal (Mon Apr 24 2006 - 15:48:59 CDT)
AMBER: compiling errors Alex Tzanov (Mon Apr 24 2006 - 19:17:50 CDT)
RE: AMBER: compiling errors Ross Walker (Mon Apr 24 2006 - 19:58:52 CDT)
AMBER: Born igb =2 harianto (Mon Apr 24 2006 - 20:27:24 CDT)
Re: AMBER: compiling errors Alex Tzanov (Mon Apr 24 2006 - 21:04:10 CDT)
Re: AMBER: Using XML for Amber files Xuebin Qiao (Mon Apr 24 2006 - 22:57:47 CDT)
AMBER: Test Failure during amber9 serial compilation Thomas Steinbrecher (Tue Apr 25 2006 - 09:17:29 CDT)
Re: AMBER: Using XML for Amber files Feng X Zhou (Tue Apr 25 2006 - 10:07:39 CDT)
Re: AMBER: Born igb =2 John Mongan (Tue Apr 25 2006 - 12:30:22 CDT)
Re: AMBER: Test Failure during amber9 serial compilation Ray Luo (Tue Apr 25 2006 - 13:01:49 CDT)
RE: AMBER: Test Failure during amber9 serial compilation Ross Walker (Tue Apr 25 2006 - 14:30:19 CDT)
AMBER: DNA structure Ioana Cozmuta (Tue Apr 25 2006 - 15:17:12 CDT)
AMBER: error propagation in MM-PBSA binding free energy calculation lhsong (Tue Apr 25 2006 - 22:22:41 CDT)
Re: AMBER: compiling errors Atro Tossavainen (Wed Apr 26 2006 - 02:49:23 CDT)
RE: AMBER: Test Failure during amber9 serial compilation Thomas Steinbrecher (Wed Apr 26 2006 - 04:23:24 CDT)
Re: AMBER: Test Failure during amber9 serial compilation Ray Luo (Wed Apr 26 2006 - 13:29:11 CDT)
RE: AMBER: Test Failure during amber9 serial compilation Ross Walker (Wed Apr 26 2006 - 13:49:06 CDT)
Re: AMBER: DNA structure Ioana Cozmuta (Wed Apr 26 2006 - 14:06:22 CDT)
AMBER: two references Ioana Cozmuta (Wed Apr 26 2006 - 15:18:28 CDT)
AMBER: two references- I got them, thank you! Ioana Cozmuta (Wed Apr 26 2006 - 16:15:11 CDT)
AMBER: internal coordinates Ioana Cozmuta (Wed Apr 26 2006 - 16:56:20 CDT)
Re: AMBER: MM_PBSA: “Found unknown atflag DELPHI” Scott Pendley (Wed Apr 26 2006 - 17:54:53 CDT)
Re: AMBER: error propagation in MM-PBSA binding free energy calculation Jianyin Shao (Wed Apr 26 2006 - 19:13:48 CDT)
AMBER: questions about mm_pbsa Weihua Li (Wed Apr 26 2006 - 22:09:45 CDT)
Re: AMBER: questions about mm_pbsa Ray Luo (Wed Apr 26 2006 - 20:03:13 CDT)
AMBER: Force Field Question Ilyas Yildirim (Thu Apr 27 2006 - 16:57:58 CDT)
AMBER: distance restraints for umbrella sampling mkseo (Thu Apr 27 2006 - 17:21:16 CDT)
AMBER: heating process r. a. (Fri Apr 28 2006 - 00:56:06 CDT)
AMBER: how to perform parallel MD on a linux cluster with Platform LSF product Yu Zh.H. (Fri Apr 28 2006 - 05:31:08 CDT)
Re: AMBER: heating process Carlos Simmerling (Fri Apr 28 2006 - 06:06:03 CDT)
AMBER: Langevin mode error?? Cenk Andac (Fri Apr 28 2006 - 06:52:02 CDT)
AMBER: 7-Methylguanine force field parameters Supat Jiranusornkul (Fri Apr 28 2006 - 09:03:22 CDT)
AMBER: 7-Methylguanine force field parameters Supat Jiranusornkul (Fri Apr 28 2006 - 09:13:55 CDT)
AMBER: Performing Simulated Annealing? alfredoq_at_fcq.unc.edu.ar (Fri Apr 28 2006 - 11:58:31 CDT)
RE: AMBER: Performing Simulated Annealing? Ross Walker (Fri Apr 28 2006 - 12:13:56 CDT)
Re: AMBER: Performing Simulated Annealing? Carlos Simmerling (Fri Apr 28 2006 - 12:16:43 CDT)
Re: AMBER: Langevin mode error?? David A. Case (Fri Apr 28 2006 - 15:13:31 CDT)
AMBER: How to build 1,4-dimethyl benzene with amber9 martin peters (Fri Apr 28 2006 - 16:27:09 CDT)
RE: AMBER: How to build 1,4-dimethyl benzene with amber9 Ross Walker (Fri Apr 28 2006 - 17:10:56 CDT)
AMBER: Setting box dimensions in leap Jennie Thomas (Fri Apr 28 2006 - 17:42:38 CDT)
Re: AMBER: How to build 1,4-dimethyl benzene with amber9 martin peters (Fri Apr 28 2006 - 18:00:29 CDT)
RE: AMBER: How to build 1,4-dimethyl benzene with amber9 Ross Walker (Fri Apr 28 2006 - 18:46:23 CDT)
Re: AMBER: error propagation in MM-PBSA binding free energy calculation lhsong (Fri Apr 28 2006 - 17:37:42 CDT)
AMBER: about the execuation of REMD with sander of amber9 pang zhao (Fri Apr 28 2006 - 22:08:41 CDT)
Re: AMBER: about the execuation of REMD with sander of amber9 pang zhao (Sat Apr 29 2006 - 00:12:22 CDT)
AMBER: about the shake with self-guide LD pang zhao (Sat Apr 29 2006 - 05:44:39 CDT)
Re: AMBER: about the execuation of REMD with sander of amber9 Carlos Simmerling (Sat Apr 29 2006 - 08:43:46 CDT)
Re: AMBER: about the execuation of REMD with sander of amber9 Carlos Simmerling (Sat Apr 29 2006 - 08:45:24 CDT)
AMBER: AMBER9: MacG5 parallel sander.MPI In Hee Park (Sat Apr 29 2006 - 15:59:28 CDT)
Re: AMBER: AMBER9: MacG5 parallel sander.MPI Gert Kiss (Sat Apr 29 2006 - 17:29:51 CDT)
Re: AMBER: how to perform parallel MD on a linux cluster with Platform LSF product Hector A. Baldoni (Sat Apr 29 2006 - 19:08:30 CDT)
Re: AMBER: Setting box dimensions in leap David A. Case (Sun Apr 30 2006 - 00:42:48 CDT)
AMBER: Did these differences come from so-called "different machines" ? Zhihong Yu (Sun Apr 30 2006 - 03:47:28 CDT)
Re: AMBER: about the execuation of REMD with sander of amber9 pang zhao (Sun Apr 30 2006 - 03:58:06 CDT)
Re: AMBER: internal coordinates David A. Case (Sun Apr 30 2006 - 11:09:52 CDT)
AMBER: Amber 9, sander imin = 5, -y flag z3020110_at_student.unsw.edu.au (Sun Apr 30 2006 - 20:08:44 CDT)
Re: AMBER: Did these differences come from so-called "different machines" ? David A. Case (Sun Apr 30 2006 - 23:09:35 CDT)
Re: AMBER: Amber 9, sander imin = 5, -y flag David A. Case (Sun Apr 30 2006 - 23:08:24 CDT)

Last message date: Sat Dec 30 2006 - 07:20:23 CST
Archived on: Wed Feb 21 2007 - 22:44:15 CST

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