AMBER Archive (2003) - Nov 2003 By Date

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Starting: Mon Nov 03 2003 - 05:41:21 CST
Ending: Sun Nov 30 2003 - 09:58:30 CST

AMBER: Freezing of water with TIP3P potential. Mahesh Chandran (Mon Nov 03 2003 - 05:41:21 CST)
AMBER: question about input files for small molecule with fluorine aini_at_rwja.umdnj.edu (Mon Nov 03 2003 - 09:45:10 CST)
Re: AMBER: question about input files for small molecule with fluorine Carlos Simmerling (Mon Nov 03 2003 - 09:53:49 CST)
Re: AMBER: PMEMD 3.1 Release - High Scalability Update to PMEMD David E. Konerding (Mon Nov 03 2003 - 12:41:08 CST)
AMBER: distrance restraints for alpha carbons Sheldon Holder (Mon Nov 03 2003 - 13:27:48 CST)
Re: AMBER: PMEMD 3.1 Release - High Scalability Update to PMEMD Robert Duke (Mon Nov 03 2003 - 13:31:34 CST)
Re: AMBER: distrance restraints for alpha carbons Sheldon Holder (Mon Nov 03 2003 - 13:56:49 CST)
Re: AMBER: large file for carnal Bill Ross (Mon Nov 03 2003 - 14:14:30 CST)
Re: AMBER: make clean doesn't clean leap David A. Case (Mon Nov 03 2003 - 16:58:38 CST)
Re: AMBER: distrance restraints for alpha carbons David A. Case (Mon Nov 03 2003 - 17:06:57 CST)
AMBER: MD Equil Chenglong Li (Mon Nov 03 2003 - 17:07:56 CST)
Re: AMBER: make clean doesn't clean leap Karen Haskell (Mon Nov 03 2003 - 17:19:23 CST)
AMBER: make clean doesn't clean leap Karen Haskell (Mon Nov 03 2003 - 16:47:22 CST)
Re: AMBER: MD Equil David A. Case (Mon Nov 03 2003 - 18:55:59 CST)
RE: AMBER: make clean doesn't clean leap Ming Lei (Tue Nov 04 2003 - 10:01:26 CST)
Re: AMBER: large file for carnal Bill Ross (Tue Nov 04 2003 - 11:03:44 CST)
AMBER: Restart a simulation Frederico.Miranda_at_ibmb.uib.no (Tue Nov 04 2003 - 13:21:03 CST)
Re: AMBER: large file for carnal Bill Ross (Tue Nov 04 2003 - 14:19:19 CST)
AMBER: atomtypenumber Rajendra P. OJHA (Tue Nov 04 2003 - 15:07:20 CST)
AMBER: RESP fitting limit? yuann (Tue Nov 04 2003 - 22:46:10 CST)
AMBER: How to estimate SD of the delta delta G between two mm_pbsa runs Zheng Suxin (Wed Nov 05 2003 - 07:41:34 CST)
AMBER: absolute vs. relative binding free energy Qing Zhang (Wed Nov 05 2003 - 18:24:45 CST)
Re: AMBER: absolute vs. relative binding free energy David A. Case (Wed Nov 05 2003 - 19:45:54 CST)
AMBER: shake constraint on all bonds Jian Zhang, Dr (Wed Nov 05 2003 - 21:34:24 CST)
RE: AMBER: shake constraint on all bonds Yong Duan (Wed Nov 05 2003 - 22:08:44 CST)
Re: AMBER: How to estimate SD of the delta delta G between two mm_pbsa runs Holger Gohlke (Thu Nov 06 2003 - 01:24:42 CST)
AMBER: parmchk on MAC Kaushik Raha (Thu Nov 06 2003 - 10:19:52 CST)
AMBER: handling non neutral systems hagop demirdjian (Thu Nov 06 2003 - 09:31:19 CST)
AMBER: Restraints Steve Seibold (Thu Nov 06 2003 - 14:28:09 CST)
Re: AMBER: Restraints David A. Case (Thu Nov 06 2003 - 17:26:47 CST)
AMBER: Can use mm_pbsa_statistics.pl to calculate each snapshot's Delta Delta G, then give the SD Zheng Suxin (Thu Nov 06 2003 - 21:41:12 CST)
Re: AMBER: Can use mm_pbsa_statistics.pl to calculate each snapshot's Delta Delta G, then give the SD Holger Gohlke (Fri Nov 07 2003 - 02:23:29 CST)
AMBER: fix some area Helios Chen (Fri Nov 07 2003 - 03:06:06 CST)
Re: AMBER: fix some area Carlos Simmerling (Fri Nov 07 2003 - 06:27:38 CST)
AMBER: restrain Vlad Cojocaru (Fri Nov 07 2003 - 09:53:52 CST)
Re: AMBER: restrain David A. Case (Fri Nov 07 2003 - 10:34:21 CST)
RE: AMBER: infinitely long DNA (to Yong Duan) Endres, Robert G. (Fri Nov 07 2003 - 14:50:17 CST)
Re: AMBER: infinitely long DNA (to Yong Duan) bishop (Fri Nov 07 2003 - 15:59:46 CST)
RE: AMBER: infinitely long DNA (to Yong Duan) Yong Duan (Fri Nov 07 2003 - 16:24:41 CST)
AMBER: mpich problem Qiang Lu (Sat Nov 08 2003 - 02:25:08 CST)
AMBER: mpich problem Qiang Lu (Sat Nov 08 2003 - 02:23:50 CST)
Re: AMBER: mpich problem David E. Konerding (Sat Nov 08 2003 - 11:15:34 CST)
Re[2]: AMBER: mpich problem Qiang Lu (Sun Nov 09 2003 - 16:27:47 CST)
Re[3]: AMBER: mpich problem Qiang Lu (Sun Nov 09 2003 - 18:28:37 CST)
Re: AMBER: mpich problem Viktor Hornak (Sun Nov 09 2003 - 18:06:53 CST)
RE: AMBER: mpich problem Yong Duan (Sun Nov 09 2003 - 18:13:13 CST)
Re: AMBER: fix some area Helios Chen (Sun Nov 09 2003 - 19:21:42 CST)
Re[2]: AMBER: mpich problem Qiang Lu (Sun Nov 09 2003 - 20:27:09 CST)
Re[2]: AMBER: mpich problem Qiang Lu (Sun Nov 09 2003 - 20:24:20 CST)
Re: AMBER: fix some area Carlos Simmerling (Sun Nov 09 2003 - 19:50:17 CST)
AMBER: a problem with antechamber and leap Ye Mei (Sun Nov 09 2003 - 23:02:04 CST)
Re: AMBER: a problem with antechamber and leap David A. Case (Mon Nov 10 2003 - 01:24:41 CST)
Re: Re: AMBER: a problem with antechamber and leap Ye Mei (Mon Nov 10 2003 - 03:15:06 CST)
AMBER: mgbjsb radii in GBSA Giulio Rastelli (Mon Nov 10 2003 - 10:39:18 CST)
AMBER: AM1-BCC in Amber7 Joey Harriman (Mon Nov 10 2003 - 06:56:23 CST)
Re: AMBER: AM1-BCC in Amber7 Ye Mei (Mon Nov 10 2003 - 07:37:05 CST)
Re: AMBER: AM1-BCC in Amber7 Joey Harriman (Mon Nov 10 2003 - 08:15:25 CST)
Re: AMBER: mgbjsb radii in GBSA David A. Case (Mon Nov 10 2003 - 10:10:17 CST)
Re: AMBER: AM1-BCC in Amber7 David A. Case (Mon Nov 10 2003 - 10:12:07 CST)
Re: AMBER: mgbjsb radii in GBSA Giulio Rastelli (Mon Nov 10 2003 - 17:02:00 CST)
AMBER: change force constants Obdulia Rabal (Mon Nov 10 2003 - 11:27:23 CST)
AMBER: Re: AM1-BCC in Amber7 Rhonda Torres (Mon Nov 10 2003 - 12:22:19 CST)
Re[2]: AMBER: mpich problem Qiang Lu (Mon Nov 10 2003 - 18:07:06 CST)
Re: AMBER: change force constants David A. Case (Mon Nov 10 2003 - 17:56:59 CST)
AMBER: restraints and reordering water Vlad Cojocaru (Tue Nov 11 2003 - 03:42:04 CST)
AMBER: Protein Rotation Frederico.Miranda_at_ibmb.uib.no (Tue Nov 11 2003 - 06:47:44 CST)
Re: AMBER: Protein Rotation Carlos Simmerling (Tue Nov 11 2003 - 07:02:32 CST)
Re: AMBER: Protein Rotation Frederico.Miranda_at_ibmb.uib.no (Tue Nov 11 2003 - 08:52:44 CST)
Re: AMBER: Protein Rotation Carlos Simmerling (Tue Nov 11 2003 - 09:11:40 CST)
Re: AMBER: Protein Rotation Bill Ross (Tue Nov 11 2003 - 10:06:33 CST)
Re: AMBER: RMSd per residue Bill Ross (Tue Nov 11 2003 - 10:20:20 CST)
Re: AMBER: Protein Rotation Bill Ross (Tue Nov 11 2003 - 10:35:08 CST)
Re: AMBER: restraints and reordering water David A. Case (Tue Nov 11 2003 - 11:21:10 CST)
AMBER: GB/SA Yichen Cao (Tue Nov 11 2003 - 13:02:41 CST)
Re: AMBER: GB/SA Chris Moth (Wed Nov 12 2003 - 14:30:33 CST)
Re: AMBER: GB/SA Holger Gohlke (Tue Nov 11 2003 - 14:47:59 CST)
Re: AMBER: AM1-BCC in Amber7 Junmei Wang (Tue Nov 11 2003 - 15:49:31 CST)
Re: AMBER: mgbjsb radii in GBSA Junmei Wang (Tue Nov 11 2003 - 16:12:08 CST)
Re: Re: AMBER: a problem with antechamber and leap Junmei Wang (Tue Nov 11 2003 - 16:33:02 CST)
Re: Re: AMBER: a problem with antechamber and leap Junmei Wang (Tue Nov 11 2003 - 16:38:32 CST)
Re: Re: AMBER: a problem with antechamber and leap David A. Case (Tue Nov 11 2003 - 19:01:39 CST)
AMBER: Separation of a Water molecules nabe (Tue Nov 11 2003 - 18:59:22 CST)
Re: AMBER: Separation of a Water molecules Carlos Simmerling (Tue Nov 11 2003 - 20:15:53 CST)
Re: AMBER: Separation of a Water molecules Thomas E. Cheatham, III (Tue Nov 11 2003 - 22:13:41 CST)
Re: AMBER: Separation of a Water molecules nabe (Wed Nov 12 2003 - 02:43:59 CST)
Re: Re: Re: AMBER: a problem with antechamber and leap Ye Mei (Wed Nov 12 2003 - 02:48:06 CST)
Re: AMBER: Correction [Separation of a Water molecules] nabe (Wed Nov 12 2003 - 02:53:49 CST)
Re: AMBER: Separation of a Water molecules Carlos Simmerling (Wed Nov 12 2003 - 06:47:20 CST)
AMBER: antechamber mopac7 parameters Joey Harriman (Wed Nov 12 2003 - 09:06:41 CST)
AMBER: average coordinates Frederico.Miranda_at_ibmb.uib.no (Wed Nov 12 2003 - 11:47:33 CST)
Re: AMBER: average coordinates Bill Ross (Wed Nov 12 2003 - 12:12:20 CST)
Re: AMBER: average coordinates Bill Ross (Wed Nov 12 2003 - 12:24:18 CST)
AMBER: about some of the cards in Sander 7 Pingna Xu (Wed Nov 12 2003 - 14:09:12 CST)
Re: AMBER: about some of the cards in Sander 7 Rhonda Torres (Wed Nov 12 2003 - 14:35:43 CST)
Re: AMBER: about some of the cards in Sander 7 Vlad Cojocaru (Wed Nov 12 2003 - 14:38:39 CST)
Re: Re: AMBER: a problem with antechamber and leap Junmei Wang (Wed Nov 12 2003 - 14:46:02 CST)
Re: Re: Re: AMBER: a problem with antechamber and leap Junmei Wang (Wed Nov 12 2003 - 14:51:05 CST)
Re: AMBER: Separation of a Water molecules nabe (Wed Nov 12 2003 - 20:32:45 CST)
Re: AMBER: Separation of a Water molecules Thomas E. Cheatham, III (Wed Nov 12 2003 - 22:16:38 CST)
Re: AMBER: Separation of a Water molecules Dr. Yong Duan (Wed Nov 12 2003 - 23:43:26 CST)
Re: Re: Re: Re: AMBER: a problem with antechamber and leap Ye Mei (Thu Nov 13 2003 - 00:52:38 CST)
AMBER: atmtypenumbers for halogens Thomas.Fox_at_bc.boehringer-ingelheim.com (Thu Nov 13 2003 - 02:53:38 CST)
AMBER: ndfmin in belly runs John (Thu Nov 13 2003 - 04:50:52 CST)
AMBER: RNA and Protein questions (also some general questions) a b (Thu Nov 13 2003 - 04:55:07 CST)
Re: AMBER: RNA and Protein questions (also some general questions) Balvinder Singh (Thu Nov 13 2003 - 11:21:49 CST)
AMBER: GIBBS - PMF problem: Lambda has not changed Jiri Matousek (Thu Nov 13 2003 - 06:32:01 CST)
Re: AMBER: Separation of a Water molecules Carlos Simmerling (Thu Nov 13 2003 - 07:48:28 CST)
Re: AMBER: RNA and Protein questions (also some general questions) Dr. Yong Duan (Thu Nov 13 2003 - 09:57:41 CST)
Re: AMBER: GIBBS - PMF problem: Lambda has not changed David Smith (Thu Nov 13 2003 - 08:00:48 CST)
Re: AMBER: ndfmin in belly runs David A. Case (Thu Nov 13 2003 - 10:07:14 CST)
AMBER: high temperature, 498K, unfolding simulations james tomomi macdonald (Thu Nov 13 2003 - 10:19:05 CST)
AMBER: Nmode Problem Yuqin Cai (Thu Nov 13 2003 - 10:26:25 CST)
Re: AMBER: RNA and Protein questions (also some general questions) FyD (Thu Nov 13 2003 - 10:45:33 CST)
Re: AMBER: high temperature, 498K, unfolding simulations Andreas Svrcek-Seiler (Thu Nov 13 2003 - 11:05:46 CST)
Re: AMBER: GIBBS - PMF problem: Lambda has not changed Jiri Matousek (Thu Nov 13 2003 - 11:09:49 CST)
Re: AMBER: RNA and Protein questions (also some general questions) Piotr Cieplak (Thu Nov 13 2003 - 11:37:14 CST)
Re: AMBER: Nmode Problem Holger Gohlke (Thu Nov 13 2003 - 13:13:45 CST)
AMBER: water prep file needed Youyi Peng (Thu Nov 13 2003 - 15:37:36 CST)
AMBER: Any correct way to image a molecule ? Teletchéa Stéphane (Thu Nov 13 2003 - 15:37:40 CST)
Re: AMBER: water prep file needed David A. Case (Thu Nov 13 2003 - 15:36:38 CST)
Re: AMBER: Any correct way to image a molecule ? Thomas E. Cheatham, III (Thu Nov 13 2003 - 15:58:38 CST)
Re: AMBER: Any correct way to image a molecule ? Teletchéa Stéphane (Thu Nov 13 2003 - 16:46:48 CST)
Re: AMBER: Any correct way to image a molecule ? Carlos Simmerling (Thu Nov 13 2003 - 18:35:19 CST)
Re: AMBER: atmtypenumbers for halogens Giulio Rastelli (Fri Nov 14 2003 - 09:00:41 CST)
Re: AMBER: Any correct way to image a molecule ? Teletchéa Stéphane (Fri Nov 14 2003 - 03:55:36 CST)
Re: AMBER: Any correct way to image a molecule ? Carlos Simmerling (Fri Nov 14 2003 - 04:27:18 CST)
Re: AMBER: GIBBS - PMF problem: Lambda has not changed David Smith (Fri Nov 14 2003 - 04:50:01 CST)
AMBER: Problems restarting with sander raist_at_mmb.pcb.ub.es (Fri Nov 14 2003 - 15:26:07 CST)
AMBER: rotation removal in sander GB Mu Yuguang (Dr) (Fri Nov 14 2003 - 09:40:56 CST)
Re: AMBER: Problems restarting with sander David A. Case (Fri Nov 14 2003 - 10:31:12 CST)
Re: AMBER: rotation removal in sander GB David A. Case (Fri Nov 14 2003 - 10:34:06 CST)
Re: AMBER: Problems restarting with sander raist_at_mmb.pcb.ub.es (Fri Nov 14 2003 - 19:14:42 CST)
AMBER: update of BOX dim. Endres, Robert G. (Fri Nov 14 2003 - 13:53:21 CST)
RE: AMBER: update of BOX dim. Endres, Robert G. (Fri Nov 14 2003 - 14:23:14 CST)
AMBER: sander lastist Frederico.Miranda_at_ibmb.uib.no (Sat Nov 15 2003 - 04:01:57 CST)
Re: AMBER: mgbjsb radii in GBSA Giulio Rastelli (Sat Nov 15 2003 - 11:05:49 CST)
Re: AMBER: sander lastist David A. Case (Sat Nov 15 2003 - 11:40:13 CST)
Re: AMBER: mgbjsb radii in GBSA David A. Case (Sat Nov 15 2003 - 11:58:35 CST)
AMBER: Diffusion constant franck (Sat Nov 15 2003 - 13:00:56 CST)
Re: AMBER: Diffusion constant David A. Case (Sat Nov 15 2003 - 14:45:56 CST)
AMBER: a problem with memory size Ye Mei (Sun Nov 16 2003 - 09:45:39 CST)
AMBER: MM_pbsa Rajendra P. OJHA (Sun Nov 16 2003 - 11:35:23 CST)
AMBER: dual processor Rajendra P. OJHA (Sun Nov 16 2003 - 11:45:40 CST)
AMBER: Pressure during MD João Barroso (Sun Nov 16 2003 - 12:12:18 CST)
Re: AMBER: a problem with memory size David A. Case (Sun Nov 16 2003 - 16:49:30 CST)
Re: AMBER: Pressure during MD David A. Case (Sun Nov 16 2003 - 16:52:36 CST)
Re: AMBER: Pressure during MD João Barroso (Mon Nov 17 2003 - 03:36:41 CST)
AMBER: Restarting MD amber7 raist_at_mmb.pcb.ub.es (Mon Nov 17 2003 - 12:54:32 CST)
Re: AMBER: Restarting MD amber7 Carlos Simmerling (Sun Nov 16 2003 - 08:39:03 CST)
AMBER: RESP charge Youyi Peng (Mon Nov 17 2003 - 08:46:32 CST)
AMBER: ptraj and charmm files Endres, Robert G. (Mon Nov 17 2003 - 09:25:04 CST)
Re: AMBER: ptraj and charmm files Thomas E. Cheatham, III (Mon Nov 17 2003 - 09:50:22 CST)
AMBER: Lone pairs and resp Perdita Barran (Mon Nov 17 2003 - 10:49:35 CST)
AMBER: Lone pairs and resp Perdita Barran (Mon Nov 17 2003 - 10:55:05 CST)
AMBER: antechamber test failure Meg McCarrick (Mon Nov 17 2003 - 14:39:58 CST)
Re: AMBER: RESP charge FyD (Mon Nov 17 2003 - 16:27:25 CST)
AMBER: amber on mac cluster yu275197_at_yorku.ca (Mon Nov 17 2003 - 19:58:34 CST)
Re: AMBER: Lone pairs and resp FyD (Mon Nov 17 2003 - 20:06:57 CST)
Re: AMBER: Pressure during MD David A. Case (Mon Nov 17 2003 - 21:03:47 CST)
Re: AMBER: antechamber test failure David A. Case (Mon Nov 17 2003 - 21:03:56 CST)
AMBER: Compiling AMBER7 on Suse Herbert Georg (Tue Nov 18 2003 - 07:08:06 CST)
AMBER: Zinc parameters Annette Höglund (Tue Nov 18 2003 - 07:19:28 CST)
Re: AMBER: Compiling AMBER7 on Suse Andreas Svrcek-Seiler (Tue Nov 18 2003 - 07:41:47 CST)
AMBER: Problem with MPI_Finalize Thomas.Fox_at_bc.boehringer-ingelheim.com (Tue Nov 18 2003 - 08:10:02 CST)
Re: AMBER: Problem with MPI_Finalize Robert Duke (Tue Nov 18 2003 - 08:54:36 CST)
AW: AMBER: Problem with MPI_Finalize Thomas.Fox_at_bc.boehringer-ingelheim.com (Tue Nov 18 2003 - 09:34:36 CST)
RE: AMBER: antechamber test failure Meg McCarrick (Tue Nov 18 2003 - 11:06:12 CST)
Re: AMBER: Problem with MPI_Finalize Bill Ross (Tue Nov 18 2003 - 12:06:13 CST)
Re: AMBER: Compiling AMBER7 on Suse Bill Ross (Tue Nov 18 2003 - 12:27:25 CST)
AMBER: molsuf failure with too many intersecting cusps Lee, Matthew (Tue Nov 18 2003 - 14:24:29 CST)
RE: AMBER: Zinc parameters Ross Walker (Tue Nov 18 2003 - 15:26:49 CST)
Re: AMBER: antechamber test failure David A. Case (Tue Nov 18 2003 - 16:22:16 CST)
AMBER: Cutress %cmass error Jory Zmuda (Wed Nov 19 2003 - 09:17:08 CST)
AMBER: MM_PB/GB/SA Chenglong Li (Wed Nov 19 2003 - 12:44:19 CST)
Re: AMBER: Cutress %cmass error Bill Ross (Wed Nov 19 2003 - 13:51:04 CST)
Re: AMBER: MM_PB/GB/SA Holger Gohlke (Thu Nov 20 2003 - 06:36:30 CST)
[Fwd: AMBER: MM_PB/GB/SA] Chenglong Li (Thu Nov 20 2003 - 12:07:19 CST)
AMBER: missing of VdW Parameters for N3 Nikolai Smolin (Fri Nov 21 2003 - 03:45:09 CST)
Re: AMBER: missing of VdW Parameters for N3 David A. Case (Fri Nov 21 2003 - 10:08:07 CST)
Re: AMBER: missing of VdW Parameters for N3 Piotr Cieplak (Fri Nov 21 2003 - 12:56:53 CST)
AMBER: Why I get the same TSTRA for different strucutures from Nmode calculation? Yuqin Cai (Fri Nov 21 2003 - 14:54:54 CST)
AMBER: Compaq Tru64 Unix Herbert de Castro Georg (Fri Nov 21 2003 - 15:37:07 CST)
Re: AMBER: Compaq Tru64 Unix David A. Case (Fri Nov 21 2003 - 17:34:43 CST)
Re: AMBER: Why I get the same TSTRA for different strucutures from Nmode calculation? David A. Case (Fri Nov 21 2003 - 17:33:38 CST)
AMBER: mm_pbsa and antechamber Rajendra P. OJHA (Sat Nov 22 2003 - 13:03:34 CST)
AMBER: structure refinement using CNS vs. AMBER a b (Sat Nov 22 2003 - 15:27:06 CST)
AMBER: Fluorine in GBSA aini_at_UMDNJ.EDU (Mon Nov 24 2003 - 08:38:38 CST)
AMBER: protein MD - problem RAJA SWAMINATHAN (Mon Nov 24 2003 - 08:47:53 CST)
Re: AMBER: protein MD - problem Carlos Simmerling (Mon Nov 24 2003 - 08:52:53 CST)
Re: AMBER: protein MD - problem David A. Case (Mon Nov 24 2003 - 10:27:08 CST)
AMBER: water mediated contacts Vlad Cojocaru (Mon Nov 24 2003 - 10:42:12 CST)
AMBER: Re: AMBER water mediated contacts Rhonda Torres (Mon Nov 24 2003 - 11:51:31 CST)
Re: AMBER: mm_pbsa and antechamber Holger Gohlke (Mon Nov 24 2003 - 13:37:02 CST)
AMBER: torsion problems of dummy atoms Difei Wang (Mon Nov 24 2003 - 14:24:11 CST)
Re: AMBER: torsion problems of dummy atoms Bill Ross (Mon Nov 24 2003 - 17:58:21 CST)
AMBER: saveamberparm Atchara Wijitkosoom (Mon Nov 24 2003 - 19:20:36 CST)
Re: AMBER: saveamberparm Bill Ross (Mon Nov 24 2003 - 19:31:51 CST)
Re: AMBER: saveamberparm David A. Case (Mon Nov 24 2003 - 19:32:22 CST)
AMBER: charge fitting Itziar Maestre Asenjo (Tue Nov 25 2003 - 02:28:05 CST)
Re: AMBER: charge fitting FyD (Tue Nov 25 2003 - 10:42:56 CST)
AMBER: 1 fs timestep for GB? Peter VARNAI (Tue Nov 25 2003 - 11:48:35 CST)
Re: AMBER: charge fitting Piotr Cieplak (Tue Nov 25 2003 - 11:59:59 CST)
AMBER: image question Li Ying (Tue Nov 25 2003 - 12:13:21 CST)
Re: AMBER: 1 fs timestep for GB? Andreas Svrcek-Seiler (Tue Nov 25 2003 - 12:32:15 CST)
RE: AMBER: image question Rhonda Torres (Tue Nov 25 2003 - 12:50:36 CST)
Re: AMBER: 1 fs timestep for GB? Alexey Onufriev (Tue Nov 25 2003 - 15:19:04 CST)
Re: AMBER: Fluorine in GBSA Alexey Onufriev (Tue Nov 25 2003 - 15:33:43 CST)
AMBER: intermolecular force Dave S Walker (Tue Nov 25 2003 - 17:19:15 CST)
AMBER: gaff errors? Difei Wang (Tue Nov 25 2003 - 18:53:43 CST)
AMBER: compiling amber using gcc on SGI Unix machines Wayne Dawson (Wed Nov 26 2003 - 07:15:57 CST)
Re: AMBER: gaff errors? David A. Case (Wed Nov 26 2003 - 10:40:37 CST)
AMBER: restart MD program Do Anh Tuan (Wed Nov 26 2003 - 11:12:50 CST)
Re: AMBER: restart MD program Carlos Simmerling (Wed Nov 26 2003 - 11:23:06 CST)
AMBER: restarted MD and ptraj Frederico.Miranda_at_ibmb.uib.no (Wed Nov 26 2003 - 19:35:35 CST)
Re: AMBER: charge fitting Itziar Maestre Asenjo (Thu Nov 27 2003 - 03:00:58 CST)
AMBER: Nmode problem Wu Yingliang (Fri Nov 28 2003 - 07:52:31 CST)
Re: AMBER: Nmode problem Holger Gohlke (Fri Nov 28 2003 - 09:11:49 CST)
Re: AMBER: charge fitting FyD (Fri Nov 28 2003 - 12:45:21 CST)
AMBER: Hello Rajendra P. OJHA (Sat Nov 29 2003 - 09:51:21 CST)
AMBER: Pseudouridine force field parameters Peter Gannett (Sat Nov 29 2003 - 18:27:38 CST)
Re: AMBER: Pseudouridine force field parameters David A. Case (Sat Nov 29 2003 - 18:48:59 CST)
AMBER: Re: Nmode problem Wu Yingliang (Sat Nov 29 2003 - 21:52:15 CST)
AMBER: Re: Nmode problem Holger Gohlke (Sun Nov 30 2003 - 09:24:50 CST)
Re: AMBER: Pseudouridine force field parameters Pascal Auffinger (Sun Nov 30 2003 - 09:58:30 CST)
Re: AMBER: Pseudouridine force field parameters Peter Gannett (Sun Nov 30 2003 - 09:56:28 CST)

Last message date: Fri Feb 06 2004 - 10:15:04 CST
Archived on: Thu May 05 2005 - 14:17:45 CDT

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