Amber Archive Sep 2005 By Thread
221 messages
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Starting
Thu Sep 01 2005 - 02:53:01 PDT,
Ending
Fri Sep 30 2005 - 15:53:00 PDT
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AMBER: broblem of replica exchange MD with polarizable force field
wenfei Li
(Wed Aug 31 2005 - 17:51:32 PDT)
Re: AMBER: broblem of replica exchange MD with polarizable force field
Guanglei Cui
(Thu Sep 01 2005 - 08:01:46 PDT)
AMBER: unstable MD velocities
hayden
(Thu Sep 01 2005 - 10:38:11 PDT)
RE: AMBER: unstable MD velocities
Ross Walker
(Thu Sep 01 2005 - 11:06:08 PDT)
AMBER: Opinion needed-Solvents
chaiann ng
(Wed Aug 31 2005 - 18:59:00 PDT)
AMBER: ptraj problem
Zhang Bing
(Thu Sep 01 2005 - 00:01:20 PDT)
Re: AMBER: ptraj problem
Thomas E. Cheatham, III
(Thu Sep 01 2005 - 13:54:24 PDT)
AMBER: H-bond energy
Sebastian Fernandez Alberti
(Thu Sep 01 2005 - 06:16:14 PDT)
AMBER: Tyrosine CZ Parameterization Bug continues in Amber 8
Chris Moth
(Thu Sep 01 2005 - 15:04:21 PDT)
AMBER: Error in MD run!
Ananda Rama Krishnan Selvaraj
(Fri Sep 02 2005 - 03:42:54 PDT)
Re: AMBER: Error in MD run!
David A. Case
(Fri Sep 02 2005 - 09:27:33 PDT)
Re: AMBER: addles question
Carlos Simmerling
(Fri Sep 02 2005 - 12:07:30 PDT)
AMBER: RED-II failure to recognize GAMESS output
Cenk Andac
(Fri Sep 02 2005 - 13:47:07 PDT)
Re: AMBER: RED-II failure to recognize GAMESS output
FyD
(Sat Sep 03 2005 - 00:33:38 PDT)
Re: AMBER: RED-II failure to recognize GAMESS output
Cenk Andac
(Tue Sep 06 2005 - 01:30:19 PDT)
Re: AMBER: RED-II failure to recognize GAMESS output
FyD
(Tue Sep 06 2005 - 01:48:41 PDT)
RE: AMBER: Antechamber error "Cannot successfully assign bond type for this molecule"
Junmei Wang
(Fri Sep 02 2005 - 13:30:29 PDT)
AMBER: Equilibration MD
mathew k varghese
(Fri Sep 02 2005 - 22:55:22 PDT)
AMBER: fixing protein for minimisation of solvent
Simon Whitehead
(Sat Sep 03 2005 - 03:56:55 PDT)
Re: AMBER: fixing protein for minimisation of solvent
Bill Ross
(Sat Sep 03 2005 - 09:49:18 PDT)
Re: AMBER: Equilibration MD
Bill Ross
(Sat Sep 03 2005 - 09:53:17 PDT)
AMBER: STARTING WHERE I LEFT OFF
Claire Zerafa
(Sat Sep 03 2005 - 10:13:59 PDT)
Re: AMBER: STARTING WHERE I LEFT OFF
Bill Ross
(Sat Sep 03 2005 - 11:12:40 PDT)
Re: AMBER: STARTING WHERE I LEFT OFF
Carlos Simmerling
(Sat Sep 03 2005 - 11:28:27 PDT)
Re: AMBER: STARTING WHERE I LEFT OFF
Bill Ross
(Sat Sep 03 2005 - 15:55:19 PDT)
Re: AMBER: STARTING WHERE I LEFT OFF
Bill Ross
(Sat Sep 03 2005 - 10:36:23 PDT)
Re: AMBER: STARTING WHERE I LEFT OFF
Claire Zerafa
(Sat Sep 03 2005 - 10:49:31 PDT)
Re: AMBER: STARTING WHERE I LEFT OFF
Carlos Simmerling
(Sat Sep 03 2005 - 10:58:29 PDT)
AMBER: MM-PBSA error
MURAT CETINKAYA
(Mon Sep 05 2005 - 09:00:13 PDT)
AMBER: RED and Multi-Orientation
Raviprasad Aduri
(Mon Sep 05 2005 - 19:34:56 PDT)
Re: AMBER: RED and Multi-Orientation
FyD
(Tue Sep 06 2005 - 00:35:58 PDT)
Re: AMBER: RED and Multi-Orientation
Raviprasad Aduri
(Tue Sep 06 2005 - 18:24:29 PDT)
Re: AMBER: RED and Multi-Orientation
FyD
(Wed Sep 07 2005 - 04:29:54 PDT)
AMBER: How to get PDB structures optimized for RED-II
Cenk Andac
(Tue Sep 06 2005 - 01:49:13 PDT)
Re: AMBER: How to get PDB structures optimized for RED-II
FyD
(Tue Sep 06 2005 - 02:36:51 PDT)
Re: AMBER: How to get PDB structures optimized for RED-II
FyD
(Wed Sep 07 2005 - 05:40:25 PDT)
AMBER: masks in ptraj - Hbond analysis
Fabien Cailliez
(Tue Sep 06 2005 - 04:38:11 PDT)
RE: AMBER: masks in ptraj - Hbond analysis
Ross Walker
(Tue Sep 06 2005 - 13:13:50 PDT)
AMBER: generation of conformations for multi-conf. RESP fitting
Kateryna Miroshnychenko
(Tue Sep 06 2005 - 07:29:40 PDT)
Re: AMBER: generation of conformations for multi-conf. RESP fitting
FyD
(Tue Sep 06 2005 - 09:20:52 PDT)
AMBER: AMBER antechamber; dimenion size
Toshifumi Yui
(Tue Sep 06 2005 - 20:22:17 PDT)
RE: AMBER: AMBER antechamber; dimenion size
Junmei Wang
(Wed Sep 07 2005 - 09:02:24 PDT)
AMBER: solvation energy
Madjid Taghdir
(Wed Sep 07 2005 - 03:08:31 PDT)
Re: AMBER: solvation energy
Peter Gannett
(Wed Sep 07 2005 - 06:10:45 PDT)
Re: AMBER: solvation energy
Wei Chen
(Wed Sep 07 2005 - 09:19:47 PDT)
AMBER: carnal problem
Priti Hansia
(Thu Sep 08 2005 - 02:25:53 PDT)
AMBER: Quick question about xLeap
Kara Di Giorgio
(Thu Sep 08 2005 - 07:31:59 PDT)
Re: AMBER: Quick question about xLeap
FyD
(Thu Sep 08 2005 - 07:54:12 PDT)
Re: AMBER: Quick question about xLeap
S.Sundar Raman
(Thu Sep 08 2005 - 08:33:36 PDT)
Re: AMBER: carnal problem
Bill Ross
(Thu Sep 08 2005 - 08:51:34 PDT)
Ptraj question -- Re: AMBER: carnal problem
Joseph Fernandez
(Thu Sep 08 2005 - 10:04:14 PDT)
AMBER: Amber 8 and PATH buffer overflow
Amber Correspondece
(Thu Sep 08 2005 - 10:01:45 PDT)
RE: AMBER: Amber 8 and PATH buffer overflow
Ross Walker
(Thu Sep 08 2005 - 10:22:23 PDT)
RE: AMBER: Amber 8 and PATH buffer overflow
Ross Walker
(Thu Sep 08 2005 - 10:26:52 PDT)
RE: AMBER: Amber 8 and PATH buffer overflow
Bill Ross
(Thu Sep 08 2005 - 10:57:42 PDT)
AMBER: Amber8 compilation error
Joe Nolan
(Thu Sep 08 2005 - 12:47:08 PDT)
Re: AMBER: Amber8 compilation error
Scott Brozell
(Thu Sep 08 2005 - 23:55:23 PDT)
AMBER: Equillibration run
mathew k varghese
(Thu Sep 08 2005 - 23:40:08 PDT)
Re: AMBER: Equillibration run
Carlos Simmerling
(Fri Sep 09 2005 - 04:16:55 PDT)
Re: AMBER: Equillibration run
mathew k varghese
(Fri Sep 09 2005 - 06:16:24 PDT)
Re: AMBER: Equillibration run
Bill Ross
(Fri Sep 09 2005 - 07:30:40 PDT)
AMBER: mm_pbsa example number 3
Thomas Whitington
(Fri Sep 09 2005 - 01:14:19 PDT)
Re: AMBER: mm_pbsa example number 3
Carlos Simmerling
(Fri Sep 09 2005 - 04:19:59 PDT)
Re: AMBER: mm_pbsa example number 3
Thomas Whitington
(Sat Sep 10 2005 - 19:32:58 PDT)
Re: AMBER: mm_pbsa example number 3
Carlos Simmerling
(Sun Sep 11 2005 - 06:12:17 PDT)
AMBER: leap segmentation fault-bugfix1 didn't work
Kateryna Miroshnychenko
(Fri Sep 09 2005 - 06:28:43 PDT)
Re: AMBER: leap segmentation fault-bugfix1 didn't work
Kateryna Miroshnychenko
(Tue Sep 13 2005 - 01:06:45 PDT)
AMBER: amber compilation on SGI ALTIX 350 (TEST FAILD)
Anthony Cruz
(Fri Sep 09 2005 - 12:19:12 PDT)
RE: AMBER: amber compilation on SGI ALTIX 350 (TEST FAILD)
Ross Walker
(Fri Sep 09 2005 - 10:37:30 PDT)
AMBER: parralel test
Anthony Cruz
(Fri Sep 09 2005 - 13:41:44 PDT)
Re: AMBER: parralel test
David A. Case
(Fri Sep 09 2005 - 12:07:16 PDT)
AMBER: AMBBER: ptraj question
Douali, Latifa
(Fri Sep 09 2005 - 13:49:24 PDT)
AMBER: Amber 8: questions about free energy perturbation
Angela Liu
(Sun Sep 11 2005 - 17:43:41 PDT)
RE: AMBER: Amber 8: questions about free energy perturbation
case
(Mon Sep 12 2005 - 00:29:15 PDT)
RE: AMBER: Amber 8: questions about free energy perturbation
Angela Liu
(Mon Sep 12 2005 - 03:37:30 PDT)
Re: AMBER: Amber 8: questions about free energy perturbation
David A. Case
(Fri Sep 16 2005 - 02:00:13 PDT)
Re: AMBER: Amber 8: questions about free energy perturbation
Angela Liu
(Fri Sep 16 2005 - 08:15:26 PDT)
Re: AMBER: Amber 8: questions about free energy perturbation
David Mobley
(Fri Sep 23 2005 - 12:40:03 PDT)
AMBER: How to build a crystal structure from a unit cell pdb?
Chunhu Tan
(Tue Sep 20 2005 - 11:55:06 PDT)
AMBER: umbrella sampling output question
caoch.cherry.bio.titech.ac.jp
(Mon Sep 12 2005 - 00:50:32 PDT)
Re: AMBER: umbrella sampling output question
Guanglei Cui
(Mon Sep 12 2005 - 06:06:31 PDT)
Re: AMBER: Amber 8: questions about free energy perturbation
Angela Liu
(Mon Sep 12 2005 - 03:40:34 PDT)
Re: AMBER: Amber 8: questions about free energy perturbation
Angela Liu
(Mon Sep 12 2005 - 05:28:49 PDT)
Re: AMBER: Amber 8: questions about free energy perturbation
Angela Liu
(Tue Sep 13 2005 - 06:34:25 PDT)
AMBER: How to split LES trajectory using TRAJ
Xin Hu
(Tue Sep 13 2005 - 08:03:20 PDT)
Re: AMBER: How to split LES trajectory using TRAJ
Carlos Simmerling
(Mon Sep 19 2005 - 10:40:47 PDT)
Re: AMBER: How to split LES trajectory using TRAJ
Xin Hu
(Mon Sep 19 2005 - 13:49:47 PDT)
Re: AMBER: How to split LES trajectory using TRAJ
Melinda Layten
(Wed Sep 21 2005 - 13:09:29 PDT)
AMBER: How to split LES trajectory using TRAJ
Xin Hu
(Thu Sep 22 2005 - 08:12:51 PDT)
Re: AMBER: Amber 8: questions about free energy perturbation
darden
(Tue Sep 13 2005 - 08:13:14 PDT)
Re: AMBER: Amber 8: questions about free energy perturbation
Angela Liu
(Tue Sep 13 2005 - 09:06:18 PDT)
AMBER: How does leap choose params ?
ivan.mmb.pcb.ub.es
(Wed Sep 14 2005 - 07:47:14 PDT)
AMBER: Fail to run parallel
Anthony Cruz
(Mon Sep 12 2005 - 05:52:29 PDT)
Re: AMBER: Fail to run parallel
Anthony Cruz
(Mon Sep 12 2005 - 06:27:50 PDT)
AMBER: ibelly and free energy calculations
David Mobley
(Mon Sep 12 2005 - 14:36:25 PDT)
AMBER: REM error
Anthony Cruz
(Mon Sep 12 2005 - 17:06:05 PDT)
Re: AMBER: REM error
Guanglei Cui
(Mon Sep 12 2005 - 18:04:33 PDT)
Re: AMBER: REM error
Anthony Cruz
(Tue Sep 13 2005 - 05:37:13 PDT)
Re: AMBER: REM error
Carlos Simmerling
(Tue Sep 13 2005 - 04:25:11 PDT)
Re: AMBER: REM error
Anthony Cruz
(Tue Sep 13 2005 - 11:37:19 PDT)
Re: AMBER: REM error
Carlos Simmerling
(Tue Sep 13 2005 - 10:40:20 PDT)
Re: AMBER: REM error
Anthony Cruz
(Tue Sep 13 2005 - 14:36:21 PDT)
AMBER: Can I get each corresponding sanpshots' delta delta energy term from mm_pbsa
Suxin Zheng
(Mon Sep 12 2005 - 15:43:13 PDT)
Re: AMBER: Can I get each corresponding sanpshots' delta delta energy term from mm_pbsa
JunJun Liu
(Mon Sep 19 2005 - 19:51:32 PDT)
AMBER: improper torsion parameters
Simon Whitehead
(Tue Sep 13 2005 - 10:23:13 PDT)
AMBER: about the %occupied of hydrogen bond
haixiao jin
(Tue Sep 13 2005 - 22:39:05 PDT)
Re: AMBER: about the %occupied of hydrogen bond
Thomas E. Cheatham, III
(Fri Sep 16 2005 - 07:30:58 PDT)
Re: AMBER: about the %occupied of hydrogen bond
Carlos Simmerling
(Fri Sep 16 2005 - 07:49:04 PDT)
Re: AMBER: about the %occupied of hydrogen bond
haixiao jin
(Sun Sep 18 2005 - 21:44:07 PDT)
Re: AMBER: about the %occupied of hydrogen bond
Carlos Simmerling
(Mon Sep 19 2005 - 06:04:14 PDT)
Re: AMBER: about the %occupied of hydrogen bond
haixiao jin
(Mon Sep 19 2005 - 07:12:42 PDT)
Re: AMBER: about the %occupied of hydrogen bond
Carlos Simmerling
(Mon Sep 19 2005 - 07:28:19 PDT)
Re: AMBER: about the %occupied of hydrogen bond
haixiao jin
(Mon Sep 19 2005 - 08:17:31 PDT)
AMBER: New information about AmberFFC
FyD
(Wed Sep 14 2005 - 03:18:36 PDT)
AMBER: Glycam-parameters and antechamber
Michele Porro
(Wed Sep 14 2005 - 09:06:42 PDT)
Re: AMBER: Glycam-parameters and antechamber
kkirschn.hamilton.edu
(Tue Sep 20 2005 - 13:37:16 PDT)
AMBER: Error in "restrt" output file
Alexander Rubinstein
(Wed Sep 14 2005 - 14:30:49 PDT)
Re: AMBER: Error in "restrt" output file
Thomas E. Cheatham, III
(Wed Sep 14 2005 - 14:41:41 PDT)
RE: AMBER: Error in "restrt" output file
Ross Walker
(Wed Sep 14 2005 - 14:46:40 PDT)
AMBER: strange case
quch 2004
(Wed Sep 14 2005 - 14:57:28 PDT)
AMBER: about radius of Br in MMPBSA calculation
Yong Xu
(Wed Sep 14 2005 - 19:36:35 PDT)
RE: AMBER: about radius of Br in MMPBSA calculation
Shan Jufang
(Thu Sep 15 2005 - 15:00:56 PDT)
Re: RE: AMBER: about radius of Br in MMPBSA calculation
Yong Xu
(Fri Sep 16 2005 - 01:41:30 PDT)
Re: RE: AMBER: about radius of Br in MMPBSA calculation
Shan Jufang
(Wed Sep 21 2005 - 08:05:54 PDT)
AMBER: mm_pbsa: problems with dielec constant when using
Magne Olufsen
(Thu Sep 15 2005 - 04:02:35 PDT)
AMBER: Problem with installation AMBER8 on Solaris 8 using original SUN compilers
Daniel Wetzler
(Thu Sep 15 2005 - 04:46:14 PDT)
RE: AMBER: Problem with installation AMBER8 on Solaris 8 using original SUN compilers
Ross Walker
(Thu Sep 15 2005 - 10:05:36 PDT)
RE: AMBER: Problem with installation AMBER8 on Solaris 8 using original SUN compilers
Ross Walker
(Thu Sep 15 2005 - 13:48:38 PDT)
RE: AMBER: Problem with installation AMBER8 on Solaris 8 using original SUN compilers
Ross Walker
(Thu Sep 15 2005 - 17:36:49 PDT)
AMBER: antechamber + mopac failure
Nitin Bhardwaj
(Thu Sep 15 2005 - 12:59:27 PDT)
AMBER: antechamber + mopac failure
Nitin Bhardwaj
(Mon Sep 19 2005 - 09:36:30 PDT)
AMBER: creating a respgen file without Gaussian.
Nitin Bhardwaj
(Thu Sep 15 2005 - 13:08:36 PDT)
AMBER: creating a resp input file without Gaussian.
Nitin Bhardwaj
(Mon Sep 19 2005 - 09:37:29 PDT)
Re: AMBER: creating a resp input file without Gaussian.
Kenley Barrett
(Mon Sep 19 2005 - 12:08:25 PDT)
Re: AMBER: creating a resp input file without Gaussian.
FyD
(Mon Sep 19 2005 - 23:47:20 PDT)
AMBER: roar question
Lishan Yao
(Thu Sep 15 2005 - 18:08:37 PDT)
AMBER: sander prob
cbala.igib.res.in
(Fri Sep 16 2005 - 01:18:42 PDT)
Re: AMBER: sander prob
Carlos Simmerling
(Fri Sep 16 2005 - 04:03:03 PDT)
Re: AMBER: sander prob
cbala.igib.res.in
(Sat Sep 17 2005 - 03:28:51 PDT)
RE: AMBER: sander prob
Ross Walker
(Sat Sep 17 2005 - 09:23:27 PDT)
RE: AMBER: sander prob
cbala.igib.res.in
(Mon Sep 19 2005 - 08:57:58 PDT)
AMBER: charges
jojartb.pharm.u-szeged.hu
(Fri Sep 16 2005 - 00:33:00 PDT)
AMBER: GB refinement of CYANA structures
Eugene DeRose
(Fri Sep 16 2005 - 06:25:52 PDT)
Re: AMBER: GB refinement of CYANA structures
David A. Case
(Fri Sep 16 2005 - 14:40:37 PDT)
AMBER: using SALTCON for human cell cytoplasm
Kenley Barrett
(Sun Sep 18 2005 - 09:45:42 PDT)
Re: AMBER: using SALTCON for human cell cytoplasm
Carlos Simmerling
(Sun Sep 18 2005 - 10:11:29 PDT)
AMBER: Could not open file (Melb.mdcrd) with mode (r)
Varsha Goyal
(Mon Sep 19 2005 - 09:50:42 PDT)
Re: AMBER: Could not open file (Melb.mdcrd) with mode (r)
Melinda Layten
(Mon Sep 19 2005 - 10:00:51 PDT)
RE: AMBER: Could not open file (Melb.mdcrd) with mode (r)
Ross Walker
(Mon Sep 19 2005 - 10:17:29 PDT)
RE: AMBER: Could not open file (Melb.mdcrd) with mode (r)
Varsha Goyal
(Tue Sep 20 2005 - 14:25:45 PDT)
RE: AMBER: Could not open file (Melb.mdcrd) with mode (r)
Ross Walker
(Tue Sep 20 2005 - 14:39:20 PDT)
Re: AMBER: Could not open file (Melb.mdcrd) with mode (r)
Brent Krueger
(Tue Sep 20 2005 - 17:13:32 PDT)
AMBER: Xleap menu bar problems
Steve Seibold
(Mon Sep 19 2005 - 12:29:09 PDT)
RE: AMBER: Xleap menu bar problems
Ross Walker
(Mon Sep 19 2005 - 12:44:11 PDT)
RE: AMBER: Xleap menu bar problems
Steve Seibold
(Mon Sep 19 2005 - 13:44:52 PDT)
AMBER: building monosaccharides with glycam force field
Lina Nilsson
(Tue Sep 20 2005 - 09:09:41 PDT)
Re: AMBER: building monosaccharides with glycam force field
kkirschn.hamilton.edu
(Tue Sep 20 2005 - 12:12:33 PDT)
AMBER: D-enantiomers
M. Scott Shell
(Tue Sep 20 2005 - 11:43:03 PDT)
Re: AMBER: D-enantiomers
David A. Case
(Tue Sep 20 2005 - 16:07:53 PDT)
Re: AMBER: D-enantiomers
Thomas E. Cheatham, III
(Tue Sep 20 2005 - 19:36:34 PDT)
Re: AMBER: D-enantiomers
FyD
(Tue Sep 20 2005 - 23:53:49 PDT)
Re: AMBER: D-enantiomers
justin litchfield
(Wed Sep 21 2005 - 00:50:36 PDT)
Re: AMBER: D-enantiomers
Piotr Cieplak
(Wed Sep 21 2005 - 01:13:26 PDT)
Re: AMBER: D-enantiomers
FyD
(Thu Sep 22 2005 - 00:03:55 PDT)
Re: AMBER: D-enantiomers
Carlos Simmerling
(Thu Sep 22 2005 - 04:35:06 PDT)
Re: AMBER: D-enantiomers
FyD
(Thu Sep 22 2005 - 05:15:49 PDT)
Re: AMBER: D-enantiomers
Piotr Cieplak
(Thu Sep 22 2005 - 10:41:24 PDT)
Re: AMBER: D-enantiomers
FyD
(Fri Sep 23 2005 - 00:12:36 PDT)
AMBER: antechamber problem
bybaker.itsa.ucsf.edu
(Tue Sep 20 2005 - 15:20:59 PDT)
RE: AMBER: antechamber problem
Junmei Wang
(Tue Sep 20 2005 - 16:05:36 PDT)
Re: AMBER: antechamber problem
bybaker.itsa.ucsf.edu
(Wed Sep 21 2005 - 17:55:45 PDT)
AMBER: Linear Interaction Energy
Daniel Oehme
(Tue Sep 20 2005 - 18:39:53 PDT)
AMBER: Build an acetone Box
gtg549i.mail.gatech.edu
(Wed Sep 21 2005 - 00:18:49 PDT)
AMBER: Leap compilation with pgf77 under 64bit platform
Mingfeng Yang
(Wed Sep 21 2005 - 14:09:39 PDT)
AMBER: highly fluctuating reaction field energies in MM/PBSA
Ulf Ryde
(Thu Sep 22 2005 - 03:32:05 PDT)
AMBER: AMBER7 xleap problem
Kristof Stevens
(Thu Sep 22 2005 - 04:00:54 PDT)
Re: AMBER: AMBER7 xleap problem
Andreas Svrcek-Seiler
(Thu Sep 22 2005 - 05:28:31 PDT)
AMBER: clustering
julien
(Thu Sep 22 2005 - 05:10:00 PDT)
AMBER: Problem finding transition state using NMODE
Peter Anderson
(Thu Sep 22 2005 - 05:36:00 PDT)
Re: AMBER: Problem finding transition state using NMODE
David A. Case
(Thu Sep 22 2005 - 07:56:59 PDT)
RE: AMBER: Problem finding transition state using NMODE
Zhang Bing
(Thu Sep 22 2005 - 08:27:45 PDT)
AMBER: Query: Problem during Production
jpragati.ibab.ac.in
(Thu Sep 22 2005 - 06:52:05 PDT)
AMBER: no statistics part
Zhang Bing
(Thu Sep 22 2005 - 08:23:30 PDT)
AMBER: no statistics part
Zhang Bing
(Thu Sep 22 2005 - 08:29:52 PDT)
Re: AMBER: amber8 parallel sander
Kathleen Erickson
(Thu Sep 22 2005 - 09:44:39 PDT)
Re: AMBER: amber8 parallel sander
Robert Duke
(Thu Sep 22 2005 - 09:57:53 PDT)
Re: AMBER: amber8 parallel sander
Peter Gannett
(Thu Sep 22 2005 - 14:18:22 PDT)
Re: AMBER: amber8 parallel sander
Carlos Simmerling
(Thu Sep 22 2005 - 15:25:07 PDT)
Re: AMBER: amber8 parallel sander
Peter Gannett
(Thu Sep 22 2005 - 14:15:12 PDT)
Re: AMBER: amber8 parallel sander
Robert Duke
(Thu Sep 22 2005 - 14:47:10 PDT)
Re: AMBER: amber8 parallel sander
Carlos P. Sosa
(Fri Sep 23 2005 - 05:02:26 PDT)
AMBER: atommask question
Istvan Kolossvary
(Fri Sep 23 2005 - 08:57:44 PDT)
Re: AMBER: atommask question
Viktor Hornak
(Fri Sep 23 2005 - 09:46:39 PDT)
AMBER: Problem during Production
jpragati.ibab.ac.in
(Sat Sep 24 2005 - 07:04:10 PDT)
RE: AMBER: Problem during Production
Ross Walker
(Sat Sep 24 2005 - 08:54:38 PDT)
AMBER: Unformatted restart file cannot be read by sander when PME in use (AMBER8)
John D. Chodera
(Sun Sep 25 2005 - 18:08:37 PDT)
AMBER: Modified RNA Bases
Raviprasad Aduri
(Mon Sep 26 2005 - 19:41:12 PDT)
Re: AMBER: Modified RNA Bases
FyD
(Mon Sep 26 2005 - 22:45:17 PDT)
Re: AMBER: Modified RNA Bases
Raviprasad Aduri
(Tue Sep 27 2005 - 10:22:45 PDT)
AMBER: Mg2+ radius in my_parse_delphi.siz
JunJun Liu
(Mon Sep 26 2005 - 20:30:14 PDT)
Re: AMBER: Mg2+ radius in my_parse_delphi.siz
Thomas Steinbrecher
(Mon Sep 26 2005 - 23:49:05 PDT)
Re: AMBER: Mg2+ radius in my_parse_delphi.siz
JunJun Liu
(Tue Sep 27 2005 - 00:11:45 PDT)
AMBER: (no subject)
Andrew Box
(Mon Sep 26 2005 - 21:40:51 PDT)
Re: AMBER: (no subject)
Carlos Simmerling
(Tue Sep 27 2005 - 04:06:16 PDT)
AMBER: Trajectory Problem
Anthony Cruz
(Thu Sep 22 2005 - 13:24:10 PDT)
Re: AMBER: Trajectory Problem
Wei Zhang
(Tue Sep 27 2005 - 09:40:45 PDT)
Re: AMBER: Trajectory Problem
Thomas E. Cheatham, III
(Tue Sep 27 2005 - 09:59:50 PDT)
RE: AMBER: number of processors
Douali, Latifa
(Wed Sep 28 2005 - 10:41:21 PDT)
Re: AMBER: number of processors
Carlos Simmerling
(Wed Sep 28 2005 - 11:01:04 PDT)
AMBER: Invalid Digit "*"
Gert Kiss
(Wed Sep 28 2005 - 11:18:04 PDT)
Re: AMBER: Invalid Digit "*"
Melinda Layten
(Wed Sep 28 2005 - 12:17:29 PDT)
RE: AMBER: Invalid Digit "*"
Yong Duan
(Wed Sep 28 2005 - 13:50:21 PDT)
AMBER: antechamber -- missing improper torsions
David Mobley
(Wed Sep 28 2005 - 15:35:25 PDT)
AMBER: Making prep file of sugar derivative
Toshifumi Yui
(Thu Sep 29 2005 - 05:02:12 PDT)
FW: AMBER: number of processors
Douali, Latifa
(Thu Sep 29 2005 - 13:49:29 PDT)
Re: FW: AMBER: number of processors
Carlos Simmerling
(Thu Sep 29 2005 - 14:44:26 PDT)
AMBER: Minimization in sander and nmode
Mingfeng Yang
(Thu Sep 29 2005 - 16:01:24 PDT)
AMBER: MM_PB/GBSA
Zhang Bing
(Thu Sep 29 2005 - 20:13:05 PDT)
Re: AMBER: MM_PB/GBSA
Thomas E. Cheatham, III
(Thu Sep 29 2005 - 21:04:46 PDT)
AMBER: Amber compilation on opteron with PGI compiler
Mingfeng Yang
(Fri Sep 30 2005 - 06:15:43 PDT)
Re: AMBER: Amber compilation on opteron with PGI compiler
Robert Duke
(Fri Sep 30 2005 - 06:53:58 PDT)
Last message date
:
Fri Sep 30 2005 - 15:53:00 PDT
Archived on
: Wed Mar 17 2010 - 06:00:18 PDT
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