Amber Archive Nov 2003 by thread
224 messages
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Starting
Mon Nov 03 2003 - 11:53:01 PST,
Ending
Wed Jan 14 2004 - 15:53:02 PST
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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)
Last message date
:
Wed Jan 14 2004 - 15:53:02 PST
Archived on
: Fri Dec 20 2024 - 05:53:21 PST
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