Amber Archive Nov 2003: By Thread

AMBER: Freezing of water with TIP3P potential. Mahesh Chandran (Mon Nov 03 2003 - 03:41:21 PST)
AMBER: question about input files for small molecule with fluorine aini.rwja.umdnj.edu (Mon Nov 03 2003 - 07:45:10 PST)
- Re: AMBER: question about input files for small molecule with fluorine Carlos Simmerling (Mon Nov 03 2003 - 07:53:49 PST)
Re: AMBER: PMEMD 3.1 Release - High Scalability Update to PMEMD David E. Konerding (Mon Nov 03 2003 - 10:41:08 PST)
- Re: AMBER: PMEMD 3.1 Release - High Scalability Update to PMEMD Robert Duke (Mon Nov 03 2003 - 11:31:34 PST)
AMBER: distrance restraints for alpha carbons Sheldon Holder (Mon Nov 03 2003 - 11:27:48 PST)
- Re: AMBER: distrance restraints for alpha carbons Sheldon Holder (Mon Nov 03 2003 - 11:56:49 PST)
- Re: AMBER: distrance restraints for alpha carbons David A. Case (Mon Nov 03 2003 - 15:06:57 PST)
AMBER: Restart a simulation Frederico.Miranda.ibmb.uib.no (Tue Nov 04 2003 - 11:21:03 PST)
AMBER: MD Equil Chenglong Li (Mon Nov 03 2003 - 15:07:56 PST)
- Re: AMBER: MD Equil David A. Case (Mon Nov 03 2003 - 16:55:59 PST)
AMBER: make clean doesn't clean leap Karen Haskell (Mon Nov 03 2003 - 14:47:22 PST)
- RE: AMBER: make clean doesn't clean leap Ming Lei (Tue Nov 04 2003 - 08:01:26 PST)
- Re: AMBER: make clean doesn't clean leap David A. Case (Mon Nov 03 2003 - 14:58:38 PST)
  - Re: AMBER: make clean doesn't clean leap Karen Haskell (Mon Nov 03 2003 - 15:19:23 PST)
AMBER: atomtypenumber Rajendra P. OJHA (Tue Nov 04 2003 - 13:07:20 PST)
AMBER: RESP fitting limit? yuann (Tue Nov 04 2003 - 20:46:10 PST)
Re: AMBER: large file for carnal Bill Ross (Tue Nov 04 2003 - 09:03:44 PST)
- Re: AMBER: large file for carnal Bill Ross (Tue Nov 04 2003 - 12:19:19 PST)
AMBER: How to estimate SD of the delta delta G between two mm_pbsa runs Zheng Suxin (Wed Nov 05 2003 - 05:41:34 PST)
- Re: AMBER: How to estimate SD of the delta delta G between two mm_pbsa runs Holger Gohlke (Wed Nov 05 2003 - 23:24:42 PST)
AMBER: absolute vs. relative binding free energy Qing Zhang (Wed Nov 05 2003 - 16:24:45 PST)
- Re: AMBER: absolute vs. relative binding free energy David A. Case (Wed Nov 05 2003 - 17:45:54 PST)
AMBER: shake constraint on all bonds Jian Zhang, Dr (Wed Nov 05 2003 - 19:34:24 PST)
- RE: AMBER: shake constraint on all bonds Yong Duan (Wed Nov 05 2003 - 20:08:44 PST)
AMBER: parmchk on MAC Kaushik Raha (Thu Nov 06 2003 - 08:19:52 PST)
AMBER: handling non neutral systems hagop demirdjian (Thu Nov 06 2003 - 07:31:19 PST)
AMBER: Restraints Steve Seibold (Thu Nov 06 2003 - 12:28:09 PST)
- Re: AMBER: Restraints David A. Case (Thu Nov 06 2003 - 15:26:47 PST)
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 - 19:41:12 PST)
- 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 - 00:23:29 PST)
AMBER: fix some area Helios Chen (Fri Nov 07 2003 - 01:06:06 PST)
- Re: AMBER: fix some area Carlos Simmerling (Fri Nov 07 2003 - 04:27:38 PST)
  - Re: AMBER: fix some area Helios Chen (Sun Nov 09 2003 - 17:21:42 PST)
    - Re: AMBER: fix some area Carlos Simmerling (Sun Nov 09 2003 - 17:50:17 PST)
AMBER: restrain Vlad Cojocaru (Fri Nov 07 2003 - 07:53:52 PST)
- Re: AMBER: restrain David A. Case (Fri Nov 07 2003 - 08:34:21 PST)
RE: AMBER: infinitely long DNA (to Yong Duan) Endres, Robert G. (Fri Nov 07 2003 - 12:50:17 PST)
- Re: AMBER: infinitely long DNA (to Yong Duan) bishop (Fri Nov 07 2003 - 13:59:46 PST)
- RE: AMBER: infinitely long DNA (to Yong Duan) Yong Duan (Fri Nov 07 2003 - 14:24:41 PST)
AMBER: mpich problem Qiang Lu (Sat Nov 08 2003 - 00:25:08 PST)
- Re[3]: AMBER: mpich problem Qiang Lu (Sun Nov 09 2003 - 16:28:37 PST)
AMBER: mpich problem Qiang Lu (Sat Nov 08 2003 - 00:23:50 PST)
- Re: AMBER: mpich problem David E. Konerding (Sat Nov 08 2003 - 09:15:34 PST)
  - Re[2]: AMBER: mpich problem Qiang Lu (Sun Nov 09 2003 - 14:27:47 PST)
  - RE: AMBER: mpich problem Yong Duan (Sun Nov 09 2003 - 16:13:13 PST)
    - Re[2]: AMBER: mpich problem Qiang Lu (Sun Nov 09 2003 - 18:24:20 PST)
- Re: AMBER: mpich problem Viktor Hornak (Sun Nov 09 2003 - 16:06:53 PST)
  - Re[2]: AMBER: mpich problem Qiang Lu (Sun Nov 09 2003 - 18:27:09 PST)
  - Re[2]: AMBER: mpich problem Qiang Lu (Mon Nov 10 2003 - 16:07:06 PST)
AMBER: a problem with antechamber and leap Ye Mei (Sun Nov 09 2003 - 21:02:04 PST)
- Re: AMBER: a problem with antechamber and leap David A. Case (Sun Nov 09 2003 - 23:24:41 PST)
  - Re: Re: AMBER: a problem with antechamber and leap Ye Mei (Mon Nov 10 2003 - 01:15:06 PST)
    - Re: Re: AMBER: a problem with antechamber and leap Junmei Wang (Tue Nov 11 2003 - 14:33:02 PST)
    - Re: Re: AMBER: a problem with antechamber and leap David A. Case (Tue Nov 11 2003 - 17:01:39 PST)
    - Re: Re: AMBER: a problem with antechamber and leap Junmei Wang (Wed Nov 12 2003 - 12:46:02 PST)
    - Re: Re: Re: AMBER: a problem with antechamber and leap Ye Mei (Wed Nov 12 2003 - 00:48:06 PST)
    - Re: Re: Re: AMBER: a problem with antechamber and leap Junmei Wang (Wed Nov 12 2003 - 12:51:05 PST)
    - Re: Re: Re: Re: AMBER: a problem with antechamber and leap Ye Mei (Wed Nov 12 2003 - 22:52:38 PST)
    - Re: Re: AMBER: a problem with antechamber and leap Junmei Wang (Tue Nov 11 2003 - 14:38:32 PST)
AMBER: mgbjsb radii in GBSA Giulio Rastelli (Mon Nov 10 2003 - 08:39:18 PST)
- Re: AMBER: mgbjsb radii in GBSA David A. Case (Mon Nov 10 2003 - 08:10:17 PST)
  - Re: AMBER: mgbjsb radii in GBSA Giulio Rastelli (Mon Nov 10 2003 - 15:02:00 PST)
- Re: AMBER: mgbjsb radii in GBSA Junmei Wang (Tue Nov 11 2003 - 14:12:08 PST)
  - Re: AMBER: mgbjsb radii in GBSA Giulio Rastelli (Sat Nov 15 2003 - 09:05:49 PST)
    - Re: AMBER: mgbjsb radii in GBSA David A. Case (Sat Nov 15 2003 - 09:58:35 PST)
AMBER: AM1-BCC in Amber7 Joey Harriman (Mon Nov 10 2003 - 04:56:23 PST)
- Re: AMBER: AM1-BCC in Amber7 Ye Mei (Mon Nov 10 2003 - 05:37:05 PST)
  - Re: AMBER: AM1-BCC in Amber7 Joey Harriman (Mon Nov 10 2003 - 06:15:25 PST)
    - Re: AMBER: AM1-BCC in Amber7 Junmei Wang (Tue Nov 11 2003 - 13:49:31 PST)
- Re: AMBER: AM1-BCC in Amber7 David A. Case (Mon Nov 10 2003 - 08:12:07 PST)
AMBER: change force constants Obdulia Rabal (Mon Nov 10 2003 - 09:27:23 PST)
- Re: AMBER: change force constants David A. Case (Mon Nov 10 2003 - 15:56:59 PST)
AMBER: Re: AM1-BCC in Amber7 Rhonda Torres (Mon Nov 10 2003 - 10:22:19 PST)
AMBER: restraints and reordering water Vlad Cojocaru (Tue Nov 11 2003 - 01:42:04 PST)
- Re: AMBER: restraints and reordering water David A. Case (Tue Nov 11 2003 - 09:21:10 PST)
AMBER: Protein Rotation Frederico.Miranda.ibmb.uib.no (Tue Nov 11 2003 - 04:47:44 PST)
- Re: AMBER: Protein Rotation Carlos Simmerling (Tue Nov 11 2003 - 05:02:32 PST)
  - Re: AMBER: Protein Rotation Frederico.Miranda.ibmb.uib.no (Tue Nov 11 2003 - 06:52:44 PST)
    - Re: AMBER: Protein Rotation Carlos Simmerling (Tue Nov 11 2003 - 07:11:40 PST)
Re: AMBER: Protein Rotation Bill Ross (Tue Nov 11 2003 - 08:06:33 PST)
- Re: AMBER: Protein Rotation Bill Ross (Tue Nov 11 2003 - 08:35:08 PST)
Re: AMBER: RMSd per residue Bill Ross (Tue Nov 11 2003 - 08:20:20 PST)
AMBER: GB/SA Yichen Cao (Tue Nov 11 2003 - 11:02:41 PST)
- Re: AMBER: GB/SA Chris Moth (Wed Nov 12 2003 - 12:30:33 PST)
  - Re: AMBER: GB/SA Holger Gohlke (Tue Nov 11 2003 - 12:47:59 PST)
AMBER: Separation of a Water molecules nabe (Tue Nov 11 2003 - 16:59:22 PST)
- Re: AMBER: Separation of a Water molecules Carlos Simmerling (Tue Nov 11 2003 - 18:15:53 PST)
- Re: AMBER: Separation of a Water molecules Thomas E. Cheatham, III (Tue Nov 11 2003 - 20:13:41 PST)
  - Re: AMBER: Separation of a Water molecules nabe (Wed Nov 12 2003 - 00:43:59 PST)
    - Re: AMBER: Correction [Separation of a Water molecules] nabe (Wed Nov 12 2003 - 00:53:49 PST)
    - Re: AMBER: Separation of a Water molecules Carlos Simmerling (Wed Nov 12 2003 - 04:47:20 PST)
    - Re: AMBER: Separation of a Water molecules nabe (Wed Nov 12 2003 - 18:32:45 PST)
    - Re: AMBER: Separation of a Water molecules Thomas E. Cheatham, III (Wed Nov 12 2003 - 20:16:38 PST)
    - Re: AMBER: Separation of a Water molecules Dr. Yong Duan (Wed Nov 12 2003 - 21:43:26 PST)
    - Re: AMBER: Separation of a Water molecules Carlos Simmerling (Thu Nov 13 2003 - 05:48:28 PST)
AMBER: antechamber mopac7 parameters Joey Harriman (Wed Nov 12 2003 - 07:06:41 PST)
AMBER: average coordinates Frederico.Miranda.ibmb.uib.no (Wed Nov 12 2003 - 09:47:33 PST)
Re: AMBER: average coordinates Bill Ross (Wed Nov 12 2003 - 10:12:20 PST)
- Re: AMBER: average coordinates Bill Ross (Wed Nov 12 2003 - 10:24:18 PST)
AMBER: about some of the cards in Sander 7 Pingna Xu (Wed Nov 12 2003 - 12:09:12 PST)
- Re: AMBER: about some of the cards in Sander 7 Vlad Cojocaru (Wed Nov 12 2003 - 12:38:39 PST)
Re: AMBER: about some of the cards in Sander 7 Rhonda Torres (Wed Nov 12 2003 - 12:35:43 PST)
- AMBER: ndfmin in belly runs John (Thu Nov 13 2003 - 02:50:52 PST)
  - Re: AMBER: ndfmin in belly runs David A. Case (Thu Nov 13 2003 - 08:07:14 PST)
AMBER: atmtypenumbers for halogens Thomas.Fox.bc.boehringer-ingelheim.com (Thu Nov 13 2003 - 00:53:38 PST)
- Re: AMBER: atmtypenumbers for halogens Giulio Rastelli (Fri Nov 14 2003 - 07:00:41 PST)
AMBER: RNA and Protein questions (also some general questions) a b (Thu Nov 13 2003 - 02:55:07 PST)
- Re: AMBER: RNA and Protein questions (also some general questions) Balvinder Singh (Thu Nov 13 2003 - 09:21:49 PST)
- Re: AMBER: RNA and Protein questions (also some general questions) Dr. Yong Duan (Thu Nov 13 2003 - 07:57:41 PST)
  - AMBER: high temperature, 498K, unfolding simulations james tomomi macdonald (Thu Nov 13 2003 - 08:19:05 PST)
    - Re: AMBER: high temperature, 498K, unfolding simulations Andreas Svrcek-Seiler (Thu Nov 13 2003 - 09:05:46 PST)
- Re: AMBER: RNA and Protein questions (also some general questions) FyD (Thu Nov 13 2003 - 08:45:33 PST)
AMBER: GIBBS - PMF problem: Lambda has not changed Jiri Matousek (Thu Nov 13 2003 - 04:32:01 PST)
- Re: AMBER: GIBBS - PMF problem: Lambda has not changed David Smith (Thu Nov 13 2003 - 06:00:48 PST)
  - Re: AMBER: GIBBS - PMF problem: Lambda has not changed Jiri Matousek (Thu Nov 13 2003 - 09:09:49 PST)
- Re: AMBER: GIBBS - PMF problem: Lambda has not changed David Smith (Fri Nov 14 2003 - 02:50:01 PST)
AMBER: Nmode Problem Yuqin Cai (Thu Nov 13 2003 - 08:26:25 PST)
- Re: AMBER: Nmode Problem Holger Gohlke (Thu Nov 13 2003 - 11:13:45 PST)
Re: AMBER: RNA and Protein questions (also some general questions) Piotr Cieplak (Thu Nov 13 2003 - 09:37:14 PST)
AMBER: water prep file needed Youyi Peng (Thu Nov 13 2003 - 13:37:36 PST)
- Re: AMBER: water prep file needed David A. Case (Thu Nov 13 2003 - 13:36:38 PST)
AMBER: Any correct way to image a molecule ? Teletchéa Stéphane (Thu Nov 13 2003 - 13:37:40 PST)
- Re: AMBER: Any correct way to image a molecule ? Thomas E. Cheatham, III (Thu Nov 13 2003 - 13:58:38 PST)
  - Re: AMBER: Any correct way to image a molecule ? Teletchéa Stéphane (Thu Nov 13 2003 - 14:46:48 PST)
    - Re: AMBER: Any correct way to image a molecule ? Carlos Simmerling (Thu Nov 13 2003 - 16:35:19 PST)
    - Re: AMBER: Any correct way to image a molecule ? Teletchéa Stéphane (Fri Nov 14 2003 - 01:55:36 PST)
    - Re: AMBER: Any correct way to image a molecule ? Carlos Simmerling (Fri Nov 14 2003 - 02:27:18 PST)
AMBER: Problems restarting with sander raist.mmb.pcb.ub.es (Fri Nov 14 2003 - 13:26:07 PST)
- Re: AMBER: Problems restarting with sander David A. Case (Fri Nov 14 2003 - 08:31:12 PST)
  - Re: AMBER: Problems restarting with sander raist.mmb.pcb.ub.es (Fri Nov 14 2003 - 17:14:42 PST)
AMBER: rotation removal in sander GB Mu Yuguang (Dr) (Fri Nov 14 2003 - 07:40:56 PST)
- Re: AMBER: rotation removal in sander GB David A. Case (Fri Nov 14 2003 - 08:34:06 PST)
AMBER: update of BOX dim. Endres, Robert G. (Fri Nov 14 2003 - 11:53:21 PST)
- RE: AMBER: update of BOX dim. Endres, Robert G. (Fri Nov 14 2003 - 12:23:14 PST)
AMBER: sander lastist Frederico.Miranda.ibmb.uib.no (Sat Nov 15 2003 - 02:01:57 PST)
- Re: AMBER: sander lastist David A. Case (Sat Nov 15 2003 - 09:40:13 PST)
AMBER: Diffusion constant franck (Sat Nov 15 2003 - 11:00:56 PST)
- Re: AMBER: Diffusion constant David A. Case (Sat Nov 15 2003 - 12:45:56 PST)
AMBER: a problem with memory size Ye Mei (Sun Nov 16 2003 - 07:45:39 PST)
- Re: AMBER: a problem with memory size David A. Case (Sun Nov 16 2003 - 14:49:30 PST)
AMBER: MM_pbsa Rajendra P. OJHA (Sun Nov 16 2003 - 09:35:23 PST)
AMBER: dual processor Rajendra P. OJHA (Sun Nov 16 2003 - 09:45:40 PST)
AMBER: Pressure during MD João Barroso (Sun Nov 16 2003 - 10:12:18 PST)
- Re: AMBER: Pressure during MD David A. Case (Sun Nov 16 2003 - 14:52:36 PST)
  - Re: AMBER: Pressure during MD João Barroso (Mon Nov 17 2003 - 01:36:41 PST)
    - Re: AMBER: Pressure during MD David A. Case (Mon Nov 17 2003 - 19:03:47 PST)
AMBER: Restarting MD amber7 raist.mmb.pcb.ub.es (Mon Nov 17 2003 - 10:54:32 PST)
- Re: AMBER: Restarting MD amber7 Carlos Simmerling (Sun Nov 16 2003 - 06:39:03 PST)
AMBER: RESP charge Youyi Peng (Mon Nov 17 2003 - 06:46:32 PST)
- Re: AMBER: RESP charge FyD (Mon Nov 17 2003 - 14:27:25 PST)
AMBER: ptraj and charmm files Endres, Robert G. (Mon Nov 17 2003 - 07:25:04 PST)
- Re: AMBER: ptraj and charmm files Thomas E. Cheatham, III (Mon Nov 17 2003 - 07:50:22 PST)
AMBER: Lone pairs and resp Perdita Barran (Mon Nov 17 2003 - 08:49:35 PST)
AMBER: Lone pairs and resp Perdita Barran (Mon Nov 17 2003 - 08:55:05 PST)
- Re: AMBER: Lone pairs and resp FyD (Mon Nov 17 2003 - 18:06:57 PST)
AMBER: antechamber test failure Meg McCarrick (Mon Nov 17 2003 - 12:39:58 PST)
- Re: AMBER: antechamber test failure David A. Case (Mon Nov 17 2003 - 19:03:56 PST)
- RE: AMBER: antechamber test failure Meg McCarrick (Tue Nov 18 2003 - 09:06:12 PST)
  - Re: AMBER: antechamber test failure David A. Case (Tue Nov 18 2003 - 14:22:16 PST)
AMBER: amber on mac cluster yu275197.yorku.ca (Mon Nov 17 2003 - 17:58:34 PST)
AMBER: Compiling AMBER7 on Suse Herbert Georg (Tue Nov 18 2003 - 05:08:06 PST)
- Re: AMBER: Compiling AMBER7 on Suse Andreas Svrcek-Seiler (Tue Nov 18 2003 - 05:41:47 PST)
AMBER: Zinc parameters Annette Höglund (Tue Nov 18 2003 - 05:19:28 PST)
- RE: AMBER: Zinc parameters Ross Walker (Tue Nov 18 2003 - 13:26:49 PST)
AMBER: Problem with MPI_Finalize Thomas.Fox.bc.boehringer-ingelheim.com (Tue Nov 18 2003 - 06:10:02 PST)
- Re: AMBER: Problem with MPI_Finalize Robert Duke (Tue Nov 18 2003 - 06:54:36 PST)
AW: AMBER: Problem with MPI_Finalize Thomas.Fox.bc.boehringer-ingelheim.com (Tue Nov 18 2003 - 07:34:36 PST)
Re: AMBER: Problem with MPI_Finalize Bill Ross (Tue Nov 18 2003 - 10:06:13 PST)
Re: AMBER: Compiling AMBER7 on Suse Bill Ross (Tue Nov 18 2003 - 10:27:25 PST)
AMBER: molsuf failure with too many intersecting cusps Lee, Matthew (Tue Nov 18 2003 - 12:24:29 PST)
AMBER: Cutress %cmass error Jory Zmuda (Wed Nov 19 2003 - 07:17:08 PST)
AMBER: MM_PB/GB/SA Chenglong Li (Wed Nov 19 2003 - 10:44:19 PST)
- Re: AMBER: MM_PB/GB/SA Holger Gohlke (Thu Nov 20 2003 - 04:36:30 PST)
Re: AMBER: Cutress %cmass error Bill Ross (Wed Nov 19 2003 - 11:51:04 PST)
[Fwd: AMBER: MM_PB/GB/SA] Chenglong Li (Thu Nov 20 2003 - 10:07:19 PST)
AMBER: missing of VdW Parameters for N3 Nikolai Smolin (Fri Nov 21 2003 - 01:45:09 PST)
- Re: AMBER: missing of VdW Parameters for N3 David A. Case (Fri Nov 21 2003 - 08:08:07 PST)
- Re: AMBER: missing of VdW Parameters for N3 Piotr Cieplak (Fri Nov 21 2003 - 10:56:53 PST)
AMBER: Why I get the same TSTRA for different strucutures from Nmode calculation? Yuqin Cai (Fri Nov 21 2003 - 12:54:54 PST)
- Re: AMBER: Why I get the same TSTRA for different strucutures from Nmode calculation? David A. Case (Fri Nov 21 2003 - 15:33:38 PST)
AMBER: Compaq Tru64 Unix Herbert de Castro Georg (Fri Nov 21 2003 - 13:37:07 PST)
- Re: AMBER: Compaq Tru64 Unix David A. Case (Fri Nov 21 2003 - 15:34:43 PST)
AMBER: mm_pbsa and antechamber Rajendra P. OJHA (Sat Nov 22 2003 - 11:03:34 PST)
- Re: AMBER: mm_pbsa and antechamber Holger Gohlke (Mon Nov 24 2003 - 11:37:02 PST)
AMBER: structure refinement using CNS vs. AMBER a b (Sat Nov 22 2003 - 13:27:06 PST)
AMBER: Fluorine in GBSA aini.UMDNJ.EDU (Mon Nov 24 2003 - 06:38:38 PST)
- Re: AMBER: Fluorine in GBSA Alexey Onufriev (Tue Nov 25 2003 - 13:33:43 PST)
AMBER: protein MD - problem RAJA SWAMINATHAN (Mon Nov 24 2003 - 06:47:53 PST)
- Re: AMBER: protein MD - problem Carlos Simmerling (Mon Nov 24 2003 - 06:52:53 PST)
- Re: AMBER: protein MD - problem David A. Case (Mon Nov 24 2003 - 08:27:08 PST)
AMBER: water mediated contacts Vlad Cojocaru (Mon Nov 24 2003 - 08:42:12 PST)
AMBER: Re: AMBER water mediated contacts Rhonda Torres (Mon Nov 24 2003 - 09:51:31 PST)
AMBER: torsion problems of dummy atoms Difei Wang (Mon Nov 24 2003 - 12:24:11 PST)
Re: AMBER: torsion problems of dummy atoms Bill Ross (Mon Nov 24 2003 - 15:58:21 PST)
AMBER: saveamberparm Atchara Wijitkosoom (Mon Nov 24 2003 - 17:20:36 PST)
- Re: AMBER: saveamberparm David A. Case (Mon Nov 24 2003 - 17:32:22 PST)
Re: AMBER: saveamberparm Bill Ross (Mon Nov 24 2003 - 17:31:51 PST)
AMBER: charge fitting Itziar Maestre Asenjo (Tue Nov 25 2003 - 00:28:05 PST)
- Re: AMBER: charge fitting FyD (Tue Nov 25 2003 - 08:42:56 PST)
AMBER: 1 fs timestep for GB? Peter VARNAI (Tue Nov 25 2003 - 09:48:35 PST)
- Re: AMBER: 1 fs timestep for GB? Andreas Svrcek-Seiler (Tue Nov 25 2003 - 10:32:15 PST)
  - Re: AMBER: 1 fs timestep for GB? Alexey Onufriev (Tue Nov 25 2003 - 13:19:04 PST)
Re: AMBER: charge fitting Piotr Cieplak (Tue Nov 25 2003 - 09:59:59 PST)
- Re: AMBER: charge fitting Itziar Maestre Asenjo (Thu Nov 27 2003 - 01:00:58 PST)
  - Re: AMBER: charge fitting FyD (Fri Nov 28 2003 - 10:45:21 PST)
AMBER: image question Li Ying (Tue Nov 25 2003 - 10:13:21 PST)
- RE: AMBER: image question Rhonda Torres (Tue Nov 25 2003 - 10:50:36 PST)
AMBER: intermolecular force Dave S Walker (Tue Nov 25 2003 - 15:19:15 PST)
AMBER: gaff errors? Difei Wang (Tue Nov 25 2003 - 16:53:43 PST)
- Re: AMBER: gaff errors? David A. Case (Wed Nov 26 2003 - 08:40:37 PST)
  - AMBER: restart MD program Do Anh Tuan (Wed Nov 26 2003 - 09:12:50 PST)
    - Re: AMBER: restart MD program Carlos Simmerling (Wed Nov 26 2003 - 09:23:06 PST)
    - AMBER: restarted MD and ptraj Frederico.Miranda.ibmb.uib.no (Wed Nov 26 2003 - 17:35:35 PST)
AMBER: compiling amber using gcc on SGI Unix machines Wayne Dawson (Wed Nov 26 2003 - 05:15:57 PST)
AMBER: Nmode problem Wu Yingliang (Fri Nov 28 2003 - 05:52:31 PST)
- Re: AMBER: Nmode problem Holger Gohlke (Fri Nov 28 2003 - 07:11:49 PST)
AMBER: Hello Rajendra P. OJHA (Sat Nov 29 2003 - 07:51:21 PST)
AMBER: Pseudouridine force field parameters Peter Gannett (Sat Nov 29 2003 - 16:27:38 PST)
- Re: AMBER: Pseudouridine force field parameters David A. Case (Sat Nov 29 2003 - 16:48:59 PST)
- Re: AMBER: Pseudouridine force field parameters Pascal Auffinger (Sun Nov 30 2003 - 07:58:30 PST)
- Re: AMBER: Pseudouridine force field parameters Peter Gannett (Sun Nov 30 2003 - 07:56:28 PST)
AMBER: Re: Nmode problem Wu Yingliang (Sat Nov 29 2003 - 19:52:15 PST)
- AMBER: Re: Nmode problem Holger Gohlke (Sun Nov 30 2003 - 07:24:50 PST)

Amber Archive Nov 2003 By Thread