Amber Archive Feb 2006 by thread
297 messages
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Starting
Thu Feb 02 2006 - 06:10:04 PST,
Ending
Sun Mar 05 2006 - 06:10:12 PST
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AMBER: Values of Spring Constants
Sai Kumar Ramadugu
(Tue Jan 31 2006 - 23:18:44 PST)
Re: AMBER: Values of Spring Constants
Carlos Simmerling
(Wed Feb 01 2006 - 04:52:50 PST)
Re: AMBER: Values of Spring Constants
Sai Kumar Ramadugu
(Wed Feb 01 2006 - 07:43:05 PST)
Re: AMBER: Values of Spring Constants
David A. Case
(Wed Feb 01 2006 - 08:38:13 PST)
Re: AMBER: Values of Spring Constants
Sai Kumar Ramadugu
(Wed Feb 01 2006 - 21:00:56 PST)
Re: AMBER: Values of Spring Constants
Carlos Simmerling
(Thu Feb 02 2006 - 03:34:30 PST)
Re: AMBER: Values of Spring Constants
Sai Kumar Ramadugu
(Thu Feb 02 2006 - 20:01:44 PST)
Re: AMBER: Values of Spring Constants
David A. Case
(Fri Feb 03 2006 - 15:51:22 PST)
Re: AMBER: Values of Spring Constants
Adrian Roitberg
(Wed Feb 01 2006 - 05:05:14 PST)
AMBER: Gibbs PMF Calculation
Atsutoshi Okabe
(Wed Feb 01 2006 - 04:31:12 PST)
Re: AMBER: Gibbs PMF Calculation
Carlos Simmerling
(Wed Feb 01 2006 - 04:54:33 PST)
AMBER: prepi definitions
Michael Mazanetz
(Wed Feb 01 2006 - 07:56:25 PST)
Re: AMBER: prepi definitions
ivan.mmb.pcb.ub.es
(Wed Feb 01 2006 - 08:33:42 PST)
Re: AMBER: lifetimes
David A. Case
(Wed Feb 01 2006 - 08:20:56 PST)
AMBER: protein ligand complex
snoze pa
(Wed Feb 01 2006 - 09:21:21 PST)
Re: AMBER: protein ligand complex
Carlos Simmerling
(Wed Feb 01 2006 - 09:53:06 PST)
Re: AMBER: protein ligand complex
snoze pa
(Wed Feb 01 2006 - 10:06:39 PST)
Re: AMBER: protein ligand complex
Carlos Simmerling
(Wed Feb 01 2006 - 10:26:10 PST)
Re: AMBER: protein ligand complex
snoze pa
(Wed Feb 01 2006 - 11:42:11 PST)
Re: AMBER: Problem in compiling sander with MMTSB
luckyang.gmail.com
(Wed Feb 01 2006 - 11:39:04 PST)
Re: AMBER: Problem in compiling sander with MMTSB
David A. Case
(Wed Feb 01 2006 - 16:05:58 PST)
Re: AMBER: Problem in compiling sander with MMTSB
luckyang.gmail.com
(Wed Feb 01 2006 - 19:26:55 PST)
Re: AMBER: Problem in compiling sander with MMTSB
David A. Case
(Fri Feb 03 2006 - 16:31:32 PST)
Re: AMBER: Problem in compiling sander with MMTSB
luckyang.gmail.com
(Fri Feb 03 2006 - 17:21:51 PST)
AMBER: Cannot successfully assign bond type for this molecule?
snoze pa
(Wed Feb 01 2006 - 12:43:53 PST)
Re: AMBER: Cannot successfully assign bond type for this molecule?
David Case
(Wed Feb 01 2006 - 13:49:55 PST)
Re: AMBER: Cannot successfully assign bond type for this molecule?
snoze pa
(Wed Feb 01 2006 - 15:00:40 PST)
AMBER: basic minimize question
A D
(Wed Feb 01 2006 - 14:50:53 PST)
RE: AMBER: basic minimize question
Ross Walker
(Wed Feb 01 2006 - 15:06:07 PST)
Re: AMBER: basic minimize question
A D
(Wed Feb 01 2006 - 15:35:38 PST)
Re: AMBER: basic minimize question
David A. Case
(Wed Feb 01 2006 - 16:09:11 PST)
RE: AMBER: basic minimize question
Ross Walker
(Wed Feb 01 2006 - 16:17:57 PST)
AMBER: Charges on atoms in protein :AMBER
Varsha Goyal
(Wed Feb 01 2006 - 19:00:09 PST)
RE: AMBER: Charges on atoms in protein :AMBER
Ross Walker
(Wed Feb 01 2006 - 20:17:24 PST)
RE: AMBER: Charges on atoms in protein :AMBER
Varsha Goyal
(Thu Feb 02 2006 - 11:20:59 PST)
Re: AMBER: Charges on atoms in protein :AMBER
Adrian Roitberg
(Thu Feb 02 2006 - 11:50:54 PST)
RE: AMBER: Charges on atoms in protein :AMBER
Ilyas Yildirim
(Thu Feb 02 2006 - 12:14:53 PST)
RE: AMBER: Charges on atoms in protein :AMBER
Bill Ross
(Thu Feb 02 2006 - 10:43:23 PST)
RE: AMBER: Charges on atoms in protein :AMBER
Bill Ross
(Thu Feb 02 2006 - 11:31:28 PST)
AMBER: positional restraints & constant pressure
Kateryna Miroshnychenko
(Thu Feb 02 2006 - 07:40:30 PST)
Re: AMBER: positional restraints & constant pressure
David A. Case
(Fri Feb 03 2006 - 08:40:53 PST)
AMBER: lib file
snoze pa
(Thu Feb 02 2006 - 08:55:33 PST)
Re: AMBER: lib file
Ilyas Yildirim
(Thu Feb 02 2006 - 11:08:12 PST)
Re: AMBER: lib file
Ilyas Yildirim
(Thu Feb 02 2006 - 12:18:28 PST)
Re: AMBER: lib file
snoze pa
(Fri Feb 03 2006 - 11:32:39 PST)
Re: AMBER: lib file
Ilyas Yildirim
(Fri Feb 03 2006 - 17:11:36 PST)
Re: AMBER: MM-PBSA
David A. Case
(Thu Feb 02 2006 - 11:00:23 PST)
AMBER: Amber8 parallel compilation problems on EM64T system
HL Eastwood
(Thu Feb 02 2006 - 11:32:32 PST)
Re: AMBER: Amber8 parallel compilation problems on EM64T system
David A. Case
(Thu Feb 02 2006 - 12:28:27 PST)
AMBER: Amber8 parallel compilation problems on an OSCAR Cluster
Aaron J. Greenwood
(Thu Feb 02 2006 - 14:18:59 PST)
Re: AMBER: Amber8 parallel compilation problems on an OSCAR Cluster
David A. Case
(Thu Feb 02 2006 - 17:49:39 PST)
Re: AMBER: Amber8 parallel compilation problems on an OSCAR Cluster
Aaron J. Greenwood
(Fri Feb 03 2006 - 07:57:30 PST)
AMBER: parameter loading problem
Lihua Wang
(Thu Feb 02 2006 - 13:01:51 PST)
AMBER: MD of oligomer sequences
Atilio I Anzellotti/O/VCU
(Thu Feb 02 2006 - 14:53:28 PST)
Re: AMBER: MD of oligomer sequences
David A. Case
(Thu Feb 02 2006 - 18:08:42 PST)
AMBER: simulated annealing run--temp won't rise
Kenley Barrett
(Thu Feb 02 2006 - 19:26:52 PST)
Re: AMBER: simulated annealing run--temp won't rise
David Case
(Thu Feb 02 2006 - 22:46:00 PST)
AMBER: Re: Force Decomposition for MTS in AMBER 8.
David Case
(Thu Feb 02 2006 - 22:34:23 PST)
AMBER: Gibbs PMF Calculation
Atsutoshi Okabe
(Fri Feb 03 2006 - 00:38:55 PST)
Re: AMBER: Gibbs PMF Calculation
Carlos Simmerling
(Fri Feb 03 2006 - 03:52:56 PST)
AMBER: MPICH-1.2.7 compilation problem !
Pradipta Bandyopadhyay
(Fri Feb 03 2006 - 05:49:31 PST)
AMBER: AMBER 7 and cutoff's
Toomas Kaevand
(Fri Feb 03 2006 - 09:58:53 PST)
Re: AMBER: AMBER 7 and cutoff's
Carlos Simmerling
(Fri Feb 03 2006 - 11:20:30 PST)
AMBER:
Rhoad, Jonathan S.
(Fri Feb 03 2006 - 11:56:37 PST)
Re: AMBER:
David A. Case
(Fri Feb 03 2006 - 15:46:28 PST)
AMBER: MMPBSA: magnitude of PB calculation
sishi.tang.utoronto.ca
(Fri Feb 03 2006 - 15:34:10 PST)
Re: AMBER: MMPBSA: magnitude of PB calculation
Ray Luo
(Thu Feb 02 2006 - 23:49:07 PST)
Re: AMBER: MMPBSA: magnitude of PB calculation
sishi.tang.utoronto.ca
(Sat Feb 04 2006 - 08:47:21 PST)
Re: AMBER: MMPBSA: magnitude of PB calculation
Thomas Steinbrecher
(Mon Feb 06 2006 - 00:54:01 PST)
Re: AMBER: MMPBSA: magnitude of PB calculation
Natasja Brooijmans
(Mon Feb 06 2006 - 04:52:36 PST)
AMBER:
Paweł Gruszczyński
(Sat Feb 04 2006 - 01:16:10 PST)
Re: AMBER:
David Mobley
(Sat Feb 04 2006 - 10:06:23 PST)
AMBER: Strange minimization output problem
andy ng
(Sat Feb 04 2006 - 04:39:31 PST)
Re: AMBER: Strange minimization output problem
Ananda Rama Krishnan Selvaraj
(Sat Feb 04 2006 - 08:12:19 PST)
Re: AMBER: Strange minimization output problem
David A. Case
(Sat Feb 04 2006 - 12:20:17 PST)
Re: AMBER: Strange minimization output problem
Andreas Svrcek-Seiler
(Sun Feb 05 2006 - 07:23:03 PST)
AMBER: dihedral parameters
richard dimelow
(Sat Feb 04 2006 - 08:06:41 PST)
Re: AMBER: dihedral parameters
Carlos Simmerling
(Sat Feb 04 2006 - 09:30:27 PST)
Re: AMBER: dihedral parameters
richard dimelow
(Mon Feb 06 2006 - 02:22:08 PST)
Re: AMBER: dihedral parameters
Carlos Simmerling
(Mon Feb 06 2006 - 04:22:03 PST)
Re: AMBER: bugfix for impropers in parmchk
David A. Case
(Sat Feb 04 2006 - 10:50:15 PST)
Re: AMBER: bugfix for impropers in parmchk
Kateryna Miroshnychenko
(Mon Feb 06 2006 - 07:09:06 PST)
AMBER: What Viewer is best
Brian Stupi
(Sat Feb 04 2006 - 21:59:29 PST)
Re: AMBER: What Viewer is best
Vlad Cojocaru
(Sun Feb 05 2006 - 09:01:11 PST)
AMBER: Error when installing
Brian Stupi
(Mon Feb 13 2006 - 12:19:19 PST)
Re: AMBER: Error when installing
Brian Stupi
(Mon Feb 13 2006 - 12:40:46 PST)
RE: AMBER: Error when installing
Ross Walker
(Tue Feb 14 2006 - 10:30:29 PST)
AMBER: could amber calculte the binding free energy ofonly two small ligands (no big molecules) ?
linfu
(Sun Feb 05 2006 - 08:49:32 PST)
AMBER: Hessian matrix
Marie Brut
(Mon Feb 06 2006 - 04:12:53 PST)
Re: AMBER: Hessian matrix
David A. Case
(Tue Feb 07 2006 - 08:40:37 PST)
Re: AMBER: Hessian matrix
mbrut.laas.fr
(Tue Feb 07 2006 - 09:55:17 PST)
AMBER: helix content during my simulation
julien
(Mon Feb 06 2006 - 05:09:38 PST)
Re: AMBER: helix content during my simulation
Mingfeng Yang
(Mon Feb 06 2006 - 06:03:32 PST)
Re: AMBER: helix content during my simulation
julien
(Mon Feb 06 2006 - 07:04:51 PST)
Re: AMBER: helix content during my simulation
Mingfeng Yang
(Mon Feb 06 2006 - 07:39:59 PST)
AMBER: Parallel version of Amber: error message
snoze pa
(Mon Feb 06 2006 - 10:55:39 PST)
Re: AMBER: Parallel version of Amber: error message
Carlos Simmerling
(Mon Feb 06 2006 - 11:21:31 PST)
Re: AMBER: Parallel version of Amber: error message
snoze pa
(Mon Feb 06 2006 - 11:45:48 PST)
Re: AMBER: Parallel version of Amber: error message
David LeBard
(Mon Feb 06 2006 - 12:10:29 PST)
Re: AMBER: Parallel version of Amber: error message
Mingfeng Yang
(Mon Feb 06 2006 - 12:29:38 PST)
Re: AMBER: Parallel version of Amber: error message
Mark Williamson
(Mon Feb 06 2006 - 13:00:09 PST)
Re: AMBER: Parallel version of Amber: error message
Lihua Wang
(Mon Feb 06 2006 - 12:27:40 PST)
AMBER: Parallel error in Amber 8
snoze pa
(Mon Feb 06 2006 - 14:47:19 PST)
Re: AMBER: Parallel error in Amber 8
snoze pa
(Mon Feb 06 2006 - 15:02:22 PST)
Re: AMBER: Parallel error in Amber 8
Wei Zhang
(Mon Feb 06 2006 - 15:06:07 PST)
Re: AMBER: Parallel error in Amber 8
snoze pa
(Mon Feb 06 2006 - 15:18:16 PST)
Re: AMBER: Parallel error in Amber 8
David A. Case
(Mon Feb 06 2006 - 15:37:56 PST)
Re: AMBER: Parallel error in Amber 8
snoze pa
(Mon Feb 06 2006 - 16:16:20 PST)
AMBER: soft-core potential in amber?
Lydia
(Mon Feb 06 2006 - 16:13:14 PST)
Re: AMBER: soft-core potential in amber?
David Mobley
(Tue Feb 07 2006 - 06:54:33 PST)
AMBER: non bond list overflow
Kenley Barrett
(Mon Feb 06 2006 - 19:43:06 PST)
Re: AMBER: non bond list overflow
David A. Case
(Mon Feb 06 2006 - 22:37:59 PST)
Re: AMBER: non bond list overflow
Kenley Barrett
(Tue Feb 07 2006 - 08:32:18 PST)
Re: AMBER: non bond list overflow
David A. Case
(Tue Feb 07 2006 - 11:00:54 PST)
AMBER: format of qusaiharmonic eigenvector file in AMBER7
Phineus Markwick
(Tue Feb 07 2006 - 03:10:44 PST)
Re: AMBER: format of qusaiharmonic eigenvector file in AMBER7
Chris Moth
(Tue Feb 07 2006 - 06:10:07 PST)
AMBER: Ask for your help to install Amber8 software
Cao Tran
(Wed Feb 08 2006 - 05:53:11 PST)
Re: AMBER: Ask for your help to install Amber8 software
Cenk Andac
(Wed Feb 08 2006 - 06:44:30 PST)
RE: AMBER: Ask for your help to install Amber8 software
CaoTran
(Wed Feb 08 2006 - 07:03:51 PST)
RE: AMBER: Ask for your help to install Amber8 software
Cao Tran
(Fri Feb 10 2006 - 01:01:38 PST)
RE: AMBER: Ask for your help to install Amber8 software
Cenk Andac
(Fri Feb 10 2006 - 02:46:12 PST)
RE: AMBER: Ask for your help to install Amber8 software
Lei Wang
(Wed Feb 08 2006 - 07:16:32 PST)
AMBER: DNA tutorial xleap help
Amanda Jonsson
(Wed Feb 08 2006 - 10:56:32 PST)
Re: AMBER: DNA tutorial xleap help
Wei Zhang
(Wed Feb 08 2006 - 11:42:32 PST)
AMBER: desc related issue
snoze pa
(Wed Feb 08 2006 - 11:15:19 PST)
Re: AMBER: DNA tutorial xleap help
Bill Ross
(Wed Feb 08 2006 - 11:56:25 PST)
AMBER: PMED in AMBER
snoze pa
(Wed Feb 08 2006 - 17:07:40 PST)
AMBER: Acetyl CoA
Satyan Sharma
(Thu Feb 09 2006 - 09:55:19 PST)
AMBER: Distortion in parallelploied
Varsha Goyal
(Thu Feb 09 2006 - 17:39:06 PST)
Re: AMBER: Distortion in parallelploied
David A. Case
(Fri Feb 10 2006 - 09:04:13 PST)
Re: AMBER: Distortion in parallelploied
Angelo Pugliese
(Mon Feb 13 2006 - 07:40:40 PST)
AMBER: EAMBER
Mingfeng Yang
(Thu Feb 09 2006 - 19:56:04 PST)
Re: AMBER: EAMBER
Carlos Simmerling
(Thu Feb 09 2006 - 20:15:21 PST)
AMBER: PMEMD MPI_Finalize() error
Mingfeng Yang
(Fri Feb 10 2006 - 06:50:59 PST)
Re: AMBER: PMEMD MPI_Finalize() error
Robert Duke
(Fri Feb 10 2006 - 07:15:29 PST)
Re: AMBER: PMEMD MPI_Finalize() error
Mingfeng Yang
(Fri Feb 10 2006 - 08:07:53 PST)
AMBER: minization: outputing intermediate snapshots
Vlad Cojocaru
(Fri Feb 10 2006 - 03:49:04 PST)
RE: AMBER: minization: outputing intermediate snapshots
Ross Walker
(Tue Feb 14 2006 - 10:34:30 PST)
AMBER: minization: outputing intermediate snapshots
Vlad Cojocaru
(Fri Feb 10 2006 - 07:05:59 PST)
AMBER: Problem in running umbrella sampling
Sai Kumar Ramadugu
(Sun Feb 12 2006 - 20:28:09 PST)
Re: AMBER: Problem in running umbrella sampling
David A. Case
(Sun Feb 12 2006 - 21:11:48 PST)
Re: AMBER: Problem in running umbrella sampling
Sai Kumar Ramadugu
(Sun Feb 12 2006 - 21:22:49 PST)
AMBER:
shuli kang
(Mon Feb 13 2006 - 04:26:07 PST)
Re: AMBER:
Scott Pendley
(Mon Feb 13 2006 - 13:00:15 PST)
AMBER: MM_PBSA problem (No values for MM_GAS )
Bing Liu
(Mon Feb 13 2006 - 06:40:47 PST)
Re: AMBER: MM_PBSA problem (No values for MM_GAS )
Scott Pendley
(Mon Feb 13 2006 - 12:57:27 PST)
AMBER: 2D-topology
Baldoni Hector Armando
(Mon Feb 13 2006 - 13:50:11 PST)
Re: AMBER: 2D-topology
David A. Case
(Tue Feb 14 2006 - 13:57:45 PST)
AMBER: mm_pbsa output
lucas luquitas
(Mon Feb 13 2006 - 15:40:28 PST)
AMBER: script advice
A D
(Mon Feb 13 2006 - 18:35:35 PST)
Re: AMBER: script advice
JunJun Liu
(Wed Feb 15 2006 - 07:35:44 PST)
AMBER: double stranded polyribocytidylic acid
Kateryna Miroshnychenko
(Tue Feb 14 2006 - 01:44:01 PST)
Re: AMBER: double stranded polyribocytidylic acid
Jiri Sponer
(Tue Feb 14 2006 - 02:54:05 PST)
Re: AMBER: double stranded polyribocytidylic acid
Kateryna Miroshnychenko
(Tue Feb 14 2006 - 04:09:36 PST)
Re: AMBER: double stranded polyribocytidylic acid
Jiri Sponer
(Tue Feb 14 2006 - 04:56:07 PST)
Re: AMBER: double stranded polyribocytidylic acid
Bill Ross
(Tue Feb 14 2006 - 12:35:19 PST)
Re: AMBER: double stranded polyribocytidylic acid
Jiri Sponer
(Wed Feb 15 2006 - 05:16:46 PST)
Re: AMBER: double stranded polyribocytidylic acid
Bill Ross
(Wed Feb 15 2006 - 09:25:21 PST)
Re: AMBER: double stranded polyribocytidylic acid
Jiri Sponer
(Wed Feb 15 2006 - 09:46:27 PST)
Re: AMBER: double stranded polyribocytidylic acid
Kateryna Miroshnychenko
(Thu Feb 16 2006 - 02:41:52 PST)
Re: AMBER: double stranded polyribocytidylic acid
Bill Ross
(Thu Feb 16 2006 - 10:49:20 PST)
Re: AMBER: double stranded polyribocytidylic acid
Bill Ross
(Thu Feb 16 2006 - 10:53:10 PST)
AMBER: Istallation AMBER8
Dr.Rudolf Friedemann
(Tue Feb 14 2006 - 02:41:39 PST)
Re: AMBER: Istallation AMBER8
David A. Case
(Tue Feb 14 2006 - 22:57:13 PST)
AMBER: paralelization and sander problems
cristian obiol
(Tue Feb 14 2006 - 02:24:18 PST)
Re: AMBER: paralelization and sander problems
Carlos Simmerling
(Tue Feb 14 2006 - 05:59:43 PST)
Re: AMBER: paralelization and sander problems
David A. Case
(Tue Feb 14 2006 - 08:32:59 PST)
Re: AMBER: paralelization and sander problems
cristian obiol
(Fri Feb 17 2006 - 02:07:37 PST)
Re: AMBER: paralelization and sander problems
Carlos Simmerling
(Fri Feb 17 2006 - 03:59:44 PST)
Re: AMBER: paralelization and sander problems
cristian obiol
(Mon Feb 20 2006 - 04:13:58 PST)
Re: AMBER: paralelization and sander problems
Carlos Simmerling
(Tue Feb 21 2006 - 04:57:10 PST)
RE: AMBER: paralelization and sander problems
Ross Walker
(Tue Feb 14 2006 - 09:48:06 PST)
AMBER: Organic molecules
Marie Brut
(Tue Feb 14 2006 - 08:42:23 PST)
RE: AMBER: Organic molecules
Ross Walker
(Tue Feb 14 2006 - 09:44:25 PST)
AMBER: Xleap crash
Scott Pendley
(Tue Feb 14 2006 - 08:55:12 PST)
Re: AMBER: Xleap crash
David A. Case
(Tue Feb 14 2006 - 09:36:21 PST)
Re: AMBER: Xleap crash
Scott Pendley
(Tue Feb 14 2006 - 09:53:37 PST)
Re: AMBER: Xleap crash
Scott Pendley
(Tue Feb 14 2006 - 10:08:59 PST)
Re: AMBER: Xleap crash
David A. Case
(Tue Feb 14 2006 - 11:51:53 PST)
AMBER: Absoft Pro Fortran and AMBER 8 on MacOS X 10.4.4
Jingyuan Luke
(Tue Feb 14 2006 - 17:35:37 PST)
Re: AMBER: Absoft Pro Fortran and AMBER 8 on MacOS X 10.4.4
David A. Case
(Tue Feb 14 2006 - 22:12:42 PST)
AMBER: negative T_solv values
Markus O Kaukonen
(Wed Feb 15 2006 - 00:25:40 PST)
Re: AMBER: negative T_solv values
David A. Case
(Wed Feb 15 2006 - 08:18:25 PST)
AMBER: m4 error with Amber8 on SUN
Amber admin
(Wed Feb 15 2006 - 14:51:38 PST)
Re: AMBER: m4 error with Amber8 on SUN
David A. Case
(Wed Feb 15 2006 - 15:56:06 PST)
AMBER: Charge of the phosphorylated Ser/Thr in MM_PBSA calculation
zgleo
(Wed Feb 15 2006 - 22:04:47 PST)
Re: AMBER: Charge of the phosphorylated Ser/Thr in MM_PBSA calculation
german
(Thu Feb 16 2006 - 04:04:39 PST)
AMBER: sander problem
bala
(Thu Feb 16 2006 - 07:57:43 PST)
Re: AMBER: sander problem
snoze pa
(Thu Feb 16 2006 - 08:13:22 PST)
Re: AMBER: sander problem
Carlos Simmerling
(Thu Feb 16 2006 - 08:25:20 PST)
Re: AMBER: sander problem
JunJun Liu
(Thu Feb 16 2006 - 08:16:34 PST)
RE: AMBER: sander problem
Ross Walker
(Thu Feb 16 2006 - 08:51:24 PST)
RE: AMBER: sander problem
Brian Stupi
(Thu Feb 16 2006 - 12:44:11 PST)
RE: AMBER: sander problem
Thomas E. Cheatham, III
(Thu Feb 16 2006 - 13:12:39 PST)
RE: AMBER: sander problem
Ross Walker
(Thu Feb 16 2006 - 13:20:45 PST)
AMBER: process_mdout.perl
Brian Stupi
(Thu Feb 16 2006 - 14:02:06 PST)
AMBER: Torsional restraints for groups of atoms
Supat Jiranusornkul
(Fri Feb 17 2006 - 04:14:12 PST)
AMBER: Question about renaming a residue
Kara Di Giorgio
(Fri Feb 17 2006 - 15:28:26 PST)
Re: AMBER: Question about renaming a residue
Thomas E. Cheatham, III
(Fri Feb 17 2006 - 15:46:27 PST)
Re: AMBER: Question about renaming a residue
Ilyas Yildirim
(Fri Feb 17 2006 - 18:05:37 PST)
AMBER: mm_pbsa problem in IBM-aix
Jiten
(Fri Feb 17 2006 - 23:36:52 PST)
Re: AMBER: mm_pbsa problem in IBM-aix
Ray Luo
(Sun Feb 19 2006 - 12:22:01 PST)
AMBER: instructions for making a library file for an unusual residue?
Kenley Barrett
(Sat Feb 18 2006 - 14:02:42 PST)
Re: AMBER: instructions for making a library file for an unusual residue?
FyD
(Sun Feb 19 2006 - 09:14:10 PST)
Re: AMBER: instructions for making a library file for an unusual residue?
Kenley Barrett
(Mon Feb 20 2006 - 16:22:22 PST)
Re: AMBER: instructions for making a library file for an unusual residue?
Ilyas Yildirim
(Mon Feb 20 2006 - 22:28:49 PST)
Re: AMBER: instructions for making a library file for an unusual residue?
FyD
(Tue Feb 21 2006 - 05:17:48 PST)
AMBER: antechamber for a database of organic molecules
Yogesh Sabnis
(Sun Feb 19 2006 - 07:16:23 PST)
Re: AMBER: antechamber for a database of organic molecules
FyD
(Sun Feb 19 2006 - 07:51:52 PST)
RE: AMBER: antechamber for a database of organic molecules
Junmei Wang
(Sun Feb 19 2006 - 19:32:22 PST)
AMBER: Phosphorylated amino acid
andy ng
(Sun Feb 19 2006 - 15:51:41 PST)
Re: AMBER: Phosphorylated amino acid
Tim Meyer
(Mon Feb 20 2006 - 00:56:36 PST)
Re: AMBER: Phosphorylated amino acid
andy ng
(Mon Feb 20 2006 - 21:55:55 PST)
AMBER: parallel problem of amber8
linfu
(Mon Feb 20 2006 - 05:01:02 PST)
RE: AMBER: parallel problem of amber8
Ross Walker
(Mon Feb 20 2006 - 09:00:26 PST)
AMBER: Problem with file size of sander outputs
Cenk Andac
(Tue Feb 21 2006 - 23:54:24 PST)
Re: AMBER: Problem with file size of sander outputs
shuli kang
(Wed Feb 22 2006 - 00:45:21 PST)
Re: AMBER: Problem with file size of sander outputs
german
(Wed Feb 22 2006 - 02:49:49 PST)
AMBER: Free energy perturbation
Angelo Pugliese
(Wed Feb 22 2006 - 08:42:06 PST)
Re: AMBER: Problem with file size of sander outputs
JunJun Liu
(Wed Feb 22 2006 - 12:58:00 PST)
RE: AMBER: Problem with file size of sander outputs
Ross Walker
(Wed Feb 22 2006 - 13:16:30 PST)
RE: AMBER: Problem with file size of sander outputs
Cenk Andac
(Wed Feb 22 2006 - 23:23:02 PST)
RE: AMBER: Problem with file size of sander outputs
Feng X Zhou
(Thu Feb 23 2006 - 09:42:22 PST)
RE: AMBER: Problem with file size of sander outputs
Ross Walker
(Thu Feb 23 2006 - 10:06:30 PST)
AMBER: charge redistribution in .prep files
Stefano Federico Massimiliano Pieraccini (Stefano.Pieraccini)
(Mon Feb 20 2006 - 04:37:54 PST)
Re: AMBER: charge redistribution in .prep files
David A. Case
(Mon Feb 20 2006 - 08:29:41 PST)
AMBER: Truncated octahedral box as triclinic lattice vectors
Markus O Kaukonen
(Mon Feb 20 2006 - 06:42:45 PST)
AMBER: amber 8 problem
Abd Ghani Abd Aziz
(Mon Feb 20 2006 - 07:08:12 PST)
Re: AMBER: amber 8 problem
JunJun Liu
(Mon Feb 20 2006 - 08:05:53 PST)
Re: AMBER: amber 8 problem
Abd Ghani Abd Aziz
(Mon Feb 20 2006 - 08:17:37 PST)
Re: AMBER: amber 8 problem
Andreas Svrcek-Seiler
(Mon Feb 20 2006 - 08:20:28 PST)
Re: AMBER: amber 8 problem
David A. Case
(Mon Feb 20 2006 - 08:33:01 PST)
RE: AMBER: amber 8 problem
Ross Walker
(Mon Feb 20 2006 - 09:05:57 PST)
AMBER: Ti calculations in dmso solvent
Vitor Manuel Sousa F?x
(Mon Feb 20 2006 - 09:55:32 PST)
Re: AMBER: Ti calculations in dmso solvent
David Mobley
(Thu Feb 23 2006 - 08:58:17 PST)
Re: AMBER: Ti calculations in dmso solvent
David A. Case
(Thu Feb 23 2006 - 10:01:26 PST)
Re: AMBER: Ti calculations in dmso solvent
David Mobley
(Thu Feb 23 2006 - 12:06:43 PST)
RE: AMBER: amber 8 problem
Abd Ghani Abd Aziz
(Mon Feb 20 2006 - 20:55:27 PST)
AMBER: Error in RST files in long simulations!
lucas luquitas
(Mon Feb 20 2006 - 11:59:35 PST)
Re: AMBER: Error in RST files in long simulations!
Carlos Simmerling
(Mon Feb 20 2006 - 12:32:13 PST)
Re: AMBER: Error in RST files in long simulations!
lucas luquitas
(Mon Feb 20 2006 - 15:08:38 PST)
Re: AMBER: Error in RST files in long simulations!
Carlos Simmerling
(Tue Feb 21 2006 - 05:02:58 PST)
AMBER: NMR restraints and LES
Sivakolundu, Sivashankar
(Mon Feb 20 2006 - 17:43:38 PST)
Re: AMBER: NMR restraints and LES
David A. Case
(Mon Feb 20 2006 - 18:26:17 PST)
AMBER: About WHAM
Atsutoshi Okabe
(Mon Feb 20 2006 - 22:22:01 PST)
AMBER: does anyone have library file for methylated histidine, 2003 ff?
Kenley Barrett
(Tue Feb 21 2006 - 08:27:13 PST)
AMBER: CARNAL: H-BOND Specifying side chains only
Kay Kunes
(Tue Feb 21 2006 - 12:47:14 PST)
Re: AMBER: CARNAL: H-BOND Specifying side chains only
Bill Ross
(Tue Feb 21 2006 - 13:41:25 PST)
AMBER: AMBER force field with namd
Fabien Cailliez
(Wed Feb 22 2006 - 09:54:23 PST)
Re: AMBER: AMBER force field with namd
Vlad Cojocaru
(Thu Feb 23 2006 - 02:11:17 PST)
Re: AMBER: AMBER force field with namd
Carlos Simmerling
(Thu Feb 23 2006 - 05:41:31 PST)
Re: AMBER: AMBER force field with namd
Vlad Cojocaru
(Thu Feb 23 2006 - 06:04:51 PST)
AMBER: generating parameters for the NADH analogue H4NAD
Simon Whitehead
(Thu Feb 23 2006 - 10:31:02 PST)
Re: AMBER: generating parameters for the NADH analogue H4NAD
Vlad Cojocaru
(Thu Feb 23 2006 - 10:53:30 PST)
RE: AMBER: generating parameters for the NADH analogue H4NAD
Ross Walker
(Thu Feb 23 2006 - 11:00:30 PST)
AMBER: TI cal
Steve Seibold
(Thu Feb 23 2006 - 11:02:45 PST)
RE: AMBER: TI cal
Ross Walker
(Thu Feb 23 2006 - 11:25:57 PST)
RE: AMBER: TI cal
Steve Seibold
(Thu Feb 23 2006 - 12:08:20 PST)
AMBER: A problem with Amber force field new parameter derivation
Vidana.Epa.csiro.au
(Thu Feb 23 2006 - 22:16:04 PST)
Re: AMBER: A problem with Amber force field new parameter derivation
FyD
(Thu Feb 23 2006 - 22:27:31 PST)
AMBER: entropic energy
Nina Fischer
(Fri Feb 24 2006 - 04:15:17 PST)
Re: AMBER: entropic energy
David A. Case
(Fri Feb 24 2006 - 08:36:49 PST)
AMBER: Antechamber Package Announcement
Junmei Wang
(Fri Feb 24 2006 - 08:26:52 PST)
AMBER: Constant pressure - restart - Amber8
Jennie Thomas
(Fri Feb 24 2006 - 08:59:34 PST)
Re: AMBER: Constant pressure - restart - Amber8
David A. Case
(Fri Feb 24 2006 - 09:34:46 PST)
Re: AMBER: Constant pressure - restart - Amber8
Jennie Thomas
(Fri Feb 24 2006 - 12:18:56 PST)
Re: AMBER: Constant pressure - restart - Amber8
David A. Case
(Fri Feb 24 2006 - 13:18:58 PST)
AMBER: dynamic memory allocation problem in nmode
Cenk Andac
(Sun Feb 26 2006 - 00:58:14 PST)
Re: AMBER: dynamic memory allocation problem in nmode
Cenk Andac
(Sun Feb 26 2006 - 01:26:23 PST)
Re: AMBER: dynamic memory allocation problem in nmode
Jiten
(Sun Feb 26 2006 - 07:07:23 PST)
Re: AMBER: dynamic memory allocation problem in nmode
David A. Case
(Sun Feb 26 2006 - 20:21:02 PST)
Re: AMBER: Constant pressure - restart - Amber8
Jennie Thomas
(Sun Feb 26 2006 - 17:56:59 PST)
AMBER: specifying RSOLV when calculating 2003 force field charges
Kenley Barrett
(Fri Feb 24 2006 - 12:50:07 PST)
AMBER: How to explain the meaning of the mmpbsa/DC result?
zhli_2000.126.com
(Sat Feb 25 2006 - 23:01:04 PST)
AMBER: ptraj atomicfluct: is it possible to calculate atomic fluctations from a reference structure
Magne Olufsen
(Sun Feb 26 2006 - 11:00:23 PST)
AMBER: Sulfonamides and GAFF
Varsha Goyal
(Sun Feb 26 2006 - 17:16:18 PST)
AMBER: ptraj warning while loading reference
Vlad Cojocaru
(Mon Feb 27 2006 - 04:45:28 PST)
Re: AMBER: ptraj warning while loading reference
David A. Case
(Mon Feb 27 2006 - 08:44:52 PST)
Re: AMBER: ptraj warning while loading reference
Vlad Cojocaru
(Mon Feb 27 2006 - 09:00:43 PST)
AMBER: MD job stopped without any error information?
ying xiong
(Mon Feb 27 2006 - 00:29:50 PST)
Re: AMBER: MD job stopped without any error information?
Melinda Layten
(Mon Feb 27 2006 - 07:18:09 PST)
Re: AMBER: MD job stopped without any error information?
Guanglei Cui
(Mon Feb 27 2006 - 07:55:47 PST)
RE: AMBER: MD job stopped without any error information?
Ross Walker
(Mon Feb 27 2006 - 08:22:25 PST)
AMBER: RE: about compiling errors for Leap
Ross Walker
(Mon Feb 27 2006 - 08:17:27 PST)
AMBER: sander testing problem
mdione.fcq.unc.edu.ar
(Mon Feb 27 2006 - 13:53:23 PST)
AMBER: mask issues
Claire Zerafa
(Tue Feb 28 2006 - 04:46:12 PST)
Re: AMBER: mask issues
Vlad Cojocaru
(Tue Feb 28 2006 - 05:03:16 PST)
AMBER: failed to save prm and xyz using ff96
Abd Ghani Abd Aziz
(Tue Feb 28 2006 - 07:32:49 PST)
RE: AMBER: failed to save prm and xyz using ff96
Ross Walker
(Tue Feb 28 2006 - 08:31:41 PST)
Re: AMBER: failed to save prm and xyz using ff96
Carlos Simmerling
(Tue Feb 28 2006 - 09:24:23 PST)
Re: AMBER: failed to save prm and xyz using ff96
Abd Ghani Abd Aziz
(Tue Feb 28 2006 - 23:49:57 PST)
AMBER: How to develop charge for my deprotonated glycine
Jianzhong Liu
(Tue Feb 28 2006 - 11:58:31 PST)
AMBER: Compiling the parallel version of amber 8 in a beowulf linux cluster
Carlos Silva Lopez
(Tue Feb 28 2006 - 09:30:42 PST)
Re: AMBER: Compiling the parallel version of amber 8 in a beowulf linux cluster
Wei Zhang
(Tue Feb 28 2006 - 10:01:34 PST)
Re: AMBER: Compiling the parallel version of amber 8 in a beowulf linux cluster
Carlos Silva Lopez
(Tue Feb 28 2006 - 14:27:07 PST)
AMBER: Angle restraint
venditti2.unisi.it
(Tue Feb 28 2006 - 12:00:48 PST)
Re: AMBER: Angle restraint
David A. Case
(Tue Feb 28 2006 - 15:54:40 PST)
Last message date
:
Sun Mar 05 2006 - 06:10:12 PST
Archived on
: Fri Nov 22 2024 - 05:53:27 PST
297 messages
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