Amber Archive Apr 2008 by thread
423 messages
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Starting
Fri Apr 18 2008 - 21:15:44 PDT,
Ending
Sun May 04 2008 - 06:07:15 PDT
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AMBER: Amber 8 on Redhat 4 X86_64
yavuzturkm.prc.boun.edu.tr
(Mon Mar 31 2008 - 22:30:32 PDT)
AMBER: TIP5P water simulation with AMBER7
Biman Jana
(Tue Apr 01 2008 - 00:14:54 PDT)
AMBER: hybrid remd imaging
Geoff Wood
(Tue Apr 01 2008 - 00:47:18 PDT)
AMBER: working with unformatted restart files in AMBER9
Vlad Cojocaru
(Tue Apr 01 2008 - 06:35:57 PDT)
Re: AMBER: working with unformatted restart files in AMBER9
Thomas Cheatham III
(Wed Apr 02 2008 - 10:26:00 PDT)
AMBER: atomic posiltional fluctuation
Furia Gargano
(Tue Apr 01 2008 - 07:11:12 PDT)
Re: AMBER: atomic posiltional fluctuation
Thomas Cheatham III
(Tue Apr 01 2008 - 09:50:43 PDT)
RE: AMBER: Protein rotating out of box
Steve Spronk
(Tue Apr 01 2008 - 07:55:20 PDT)
Re: AMBER: Protein rotating out of box
Lars Skjærven
(Wed Apr 02 2008 - 05:36:20 PDT)
RE: AMBER: Protein rotating out of box
Steve Spronk
(Wed Apr 02 2008 - 06:13:12 PDT)
Re: AMBER: Protein rotating out of box
Thomas Cheatham III
(Wed Apr 02 2008 - 09:54:46 PDT)
Re: AMBER: Protein rotating out of box
Qiang Li
(Wed Apr 02 2008 - 10:35:04 PDT)
Re: AMBER: Protein rotating out of box
Lars Skjærven
(Wed Apr 02 2008 - 12:17:23 PDT)
Re: AMBER: Protein rotating out of box
Lars Skjærven
(Wed Apr 02 2008 - 14:01:54 PDT)
Re: AMBER: Protein rotating out of box
David A. Case
(Tue Apr 08 2008 - 18:54:29 PDT)
Re: AMBER: residual dipolar couplings - alignment tensor energy
Douglas Kojetin
(Tue Apr 01 2008 - 08:23:59 PDT)
AMBER: Electric field on atoms in equallibrium
Lishan Yao
(Tue Apr 01 2008 - 09:55:39 PDT)
Re: AMBER: Electric field on atoms in equallibrium
Tom Darden
(Tue Apr 01 2008 - 10:59:17 PDT)
Re: AMBER: Electric field on atoms in equallibrium
Lishan Yao
(Tue Apr 01 2008 - 11:21:20 PDT)
Re: AMBER: Electric field on atoms in equallibrium
Tom Darden
(Tue Apr 01 2008 - 12:26:32 PDT)
Re: AMBER: residual dipolar couplings - alignment tensor energy
Douglas Kojetin
(Tue Apr 01 2008 - 08:53:55 PDT)
Re: AMBER: residual dipolar couplings - alignment tensor energy
David A. Case
(Wed Apr 02 2008 - 10:53:38 PDT)
AMBER: B-factor
Furia Gargano
(Tue Apr 01 2008 - 12:05:36 PDT)
Re: AMBER: B-factor
Thomas Cheatham III
(Wed Apr 02 2008 - 10:18:18 PDT)
AMBER: Simulating DNA Backbone in NAB
Adelene Sim
(Tue Apr 01 2008 - 12:23:16 PDT)
Re: AMBER: Simulating DNA Backbone in NAB
David A. Case
(Wed Apr 02 2008 - 13:24:25 PDT)
AMBER: PMF calculation for rate constant or binding constant?
Catein Catherine
(Tue Apr 15 2008 - 19:28:43 PDT)
AMBER: LEap error message for parmBSC0 force field
Cenk Andac
(Tue Apr 01 2008 - 16:31:17 PDT)
Re: AMBER: LEap error message for parmBSC0 force field
Thomas Cheatham III
(Tue Apr 01 2008 - 16:55:38 PDT)
Re: AMBER: LEap error message for parmBSC0 force field
Cenk Andac
(Thu Apr 03 2008 - 05:52:37 PDT)
Re: AMBER: LEap error message for parmBSC0 force field
Alberto Perez
(Thu Apr 03 2008 - 07:00:09 PDT)
Re: AMBER: LEap error message for parmBSC0 force field
Bill Ross
(Thu Apr 03 2008 - 10:28:51 PDT)
Re: AMBER: LEap error message for parmBSC0 force field
Cenk Andac
(Thu Apr 03 2008 - 11:08:58 PDT)
Re: AMBER: LEap error message for parmBSC0 force field
Bill Ross
(Thu Apr 03 2008 - 13:12:12 PDT)
Re: AMBER: LEap error message for parmBSC0 force field
Bill Ross
(Thu Apr 03 2008 - 13:16:27 PDT)
AMBER: meet problems in adding ions and waterbox
Qiang Li
(Tue Apr 01 2008 - 22:12:31 PDT)
Re: AMBER: meet problems in adding ions and waterbox
David A. Case
(Tue Apr 01 2008 - 22:22:52 PDT)
Re: AMBER: meet problems in adding ions and waterbox
Qiang Li
(Tue Apr 01 2008 - 23:12:13 PDT)
Re: AMBER: meet problems in adding ions and waterbox
David A. Case
(Wed Apr 02 2008 - 09:37:05 PDT)
AMBER: LJ parameters
aneesh cna
(Wed Apr 02 2008 - 04:46:22 PDT)
Re: AMBER: LJ parameters
Thomas Steinbrecher
(Wed Apr 02 2008 - 10:31:57 PDT)
Re: AMBER: LJ parameters
aneesh cna
(Thu Apr 03 2008 - 04:30:39 PDT)
AMBER: REMD simulation error
Guillaume Renvez
(Wed Apr 02 2008 - 05:47:20 PDT)
AMBER: ANNOUNCE: Release of AmberTools, version 1.0
David A. Case
(Wed Apr 02 2008 - 09:49:20 PDT)
Re: AMBER: Nmode segmentation fault
David A. Case
(Wed Apr 02 2008 - 10:50:09 PDT)
Re: AMBER: Regarding SHAKE
David A. Case
(Wed Apr 02 2008 - 10:54:59 PDT)
AMBER: ptraj / covariance / quasiharmonic approximation / entropy
Seth Lilavivat
(Wed Apr 02 2008 - 12:18:55 PDT)
Re: AMBER: ptraj / covariance / quasiharmonic approximation / entropy
Chris Moth
(Wed Apr 02 2008 - 14:09:14 PDT)
Re: AMBER: multiple dihedral restraints using group
David A. Case
(Wed Apr 02 2008 - 13:44:20 PDT)
Re: AMBER: mm-pbsa multiple trajectory approach?
Chris Moth
(Wed Apr 02 2008 - 14:18:06 PDT)
Re: AMBER: AMBER 9 testing
Taufik Al-Sarraj
(Wed Apr 02 2008 - 19:36:57 PDT)
AMBER: NAD parameters
Urszula Uciechowska
(Thu Apr 03 2008 - 07:30:05 PDT)
Re: AMBER: NAD parameters
David A. Case
(Thu Apr 03 2008 - 08:01:46 PDT)
RE: AMBER: NAD parameters
Ross Walker
(Thu Apr 03 2008 - 07:56:45 PDT)
AMBER: dockmolecules in examples directory of AmberTools-1.0
M. L. Dodson
(Thu Apr 03 2008 - 08:54:50 PDT)
AMBER: mm_pbsa error
rams rams
(Thu Apr 03 2008 - 09:28:56 PDT)
Re: AMBER: mm_pbsa error
stephane acoca
(Thu Apr 03 2008 - 13:21:29 PDT)
Re: AMBER: mm_pbsa error
Scott Pendley
(Fri Apr 04 2008 - 09:29:16 PDT)
AMBER: MPI run problem
Qi Yan
(Thu Apr 03 2008 - 09:33:19 PDT)
AMBER: Simple Minimization - Error
dpandit.brandeis.edu
(Thu Apr 03 2008 - 12:55:08 PDT)
Re: AMBER: Simple Minimization - Error
David A. Case
(Thu Apr 03 2008 - 13:11:13 PDT)
Re: AMBER: Simple Minimization - Error
Daniel Smith
(Thu Apr 03 2008 - 13:10:28 PDT)
Re: AMBER: MPI run problem
David A. Case
(Thu Apr 03 2008 - 13:38:38 PDT)
Re: AMBER: MPI run problem
Robert Duke
(Thu Apr 03 2008 - 13:57:33 PDT)
RE: AMBER: MPI run problem
Qi Yan
(Thu Apr 03 2008 - 14:59:27 PDT)
AMBER: problem with Mg2+ during MD
Zhenwei Lu
(Thu Apr 03 2008 - 09:48:13 PDT)
AMBER: Using mdcrd files to look at minor charge changes
Cooper, Matthew
(Thu Apr 03 2008 - 11:45:12 PDT)
Re: AMBER: Using mdcrd files to look at minor charge changes
David A. Case
(Thu Apr 03 2008 - 12:46:46 PDT)
AMBER: imem keyword using mmpbsa
Sergio Wong
(Thu Apr 03 2008 - 13:43:01 PDT)
Re: AMBER: imem keyword using mmpbsa
Sergio Wong
(Thu Apr 03 2008 - 18:18:10 PDT)
Re: AMBER: imem keyword using mmpbsa
David A. Case
(Thu Apr 03 2008 - 21:04:11 PDT)
AMBER: Restraintmask and Restraint_WT : Question
dpandit.brandeis.edu
(Fri Apr 04 2008 - 08:24:32 PDT)
Re: AMBER: Restraintmask and Restraint_WT : Question
Thomas Steinbrecher
(Fri Apr 04 2008 - 09:18:17 PDT)
AMBER: solvateOct produces strange residues compared to solvateCap
Markus Kaukonen
(Fri Apr 04 2008 - 01:08:53 PDT)
Re: AMBER: solvateOct produces strange residues compared to solvateCap
David A. Case
(Thu Apr 10 2008 - 12:29:52 PDT)
AMBER: GAFF
Eric Germaneau
(Fri Apr 04 2008 - 01:18:03 PDT)
Re: AMBER: GAFF
Vlad Cojocaru
(Fri Apr 04 2008 - 01:22:30 PDT)
Re: AMBER: GAFF
Eric Germaneau
(Fri Apr 04 2008 - 01:27:07 PDT)
Re: AMBER: GAFF
Vlad Cojocaru
(Fri Apr 04 2008 - 01:42:24 PDT)
Re: AMBER: GAFF
Eric Germaneau
(Fri Apr 04 2008 - 07:10:31 PDT)
Re: AMBER: GAFF
David A. Case
(Fri Apr 04 2008 - 08:59:08 PDT)
Re: AMBER: GAFF
Eric Germaneau
(Fri Apr 04 2008 - 10:49:40 PDT)
AMBER: ligand slips out of pocket
Hannes Wallnoefer
(Fri Apr 04 2008 - 00:58:29 PDT)
AMBER: sander.MPI setup with SGE
Sasha Buzko
(Fri Apr 04 2008 - 09:59:34 PDT)
RE: AMBER: sander.MPI setup with SGE
Ross Walker
(Sat Apr 05 2008 - 09:18:45 PDT)
Re: AMBER: sander.MPI setup with SGE
Sasha Buzko
(Mon Apr 07 2008 - 13:51:20 PDT)
AMBER: artifacts in ptraj avg output
stephane acoca
(Sat Apr 05 2008 - 01:46:55 PDT)
Re: AMBER: artifacts in ptraj avg output
Barbault Florent
(Sat Apr 05 2008 - 02:11:37 PDT)
Re: AMBER: artifacts in ptraj avg output
stephane acoca
(Sat Apr 05 2008 - 02:52:26 PDT)
Re: AMBER: running minimisation on cis-azobenzene
Chih-Ying Lin
(Sat Apr 05 2008 - 06:33:46 PDT)
Re: AMBER: running minimisation on cis-azobenzene
Chih-Ying Lin
(Sun Apr 06 2008 - 17:33:11 PDT)
Re: AMBER: running minimisation on cis-azobenzene
David A. Case
(Mon Apr 07 2008 - 08:39:24 PDT)
Re: AMBER: running minimisation on cis-azobenzene
Chih-Ying Lin
(Mon Apr 07 2008 - 10:10:43 PDT)
Re: AMBER: running minimisation on cis-azobenzene
Chih-Ying Lin
(Mon Apr 07 2008 - 10:31:51 PDT)
Re: AMBER: running minimisation on cis-azobenzene
Thomas Steinbrecher
(Mon Apr 07 2008 - 10:39:18 PDT)
Re: AMBER: running minimisation on cis-azobenzene
Chih-Ying Lin
(Mon Apr 07 2008 - 11:03:18 PDT)
AMBER: Trans-azobenzene and cis-azobenzene
Chih-Ying Lin
(Mon Apr 07 2008 - 11:13:01 PDT)
Re: AMBER: running minimisation on cis-azobenzene
Chih-Ying Lin
(Mon Apr 07 2008 - 21:40:20 PDT)
Re: AMBER: running minimisation on cis-azobenzene
Thomas Steinbrecher
(Tue Apr 08 2008 - 13:37:39 PDT)
Re: AMBER: running minimisation on cis-azobenzene
Junmei Wang
(Tue Apr 08 2008 - 14:37:54 PDT)
Re: AMBER: running minimisation on cis-azobenzene----an electron-withdrew atom
Chih-Ying Lin
(Tue Apr 08 2008 - 14:45:51 PDT)
Re: AMBER: running minimisation on cis-azobenzene
Chih-Ying Lin
(Tue Apr 08 2008 - 14:51:51 PDT)
Re: AMBER: running minimisation on cis-azobenzene
Junmei Wang
(Tue Apr 08 2008 - 15:11:35 PDT)
Re: AMBER: running minimisation on cis-azobenzene
Chih-Ying Lin
(Tue Apr 08 2008 - 15:27:52 PDT)
AMBER: anything wrong with this script
Chih-Ying Lin
(Tue Apr 08 2008 - 17:27:50 PDT)
Re: AMBER: running minimisation on cis-azobenzene
Chih-Ying Lin
(Tue Apr 08 2008 - 15:00:20 PDT)
AMBER: Minimisation: cis-azobenzene parameters
Chih-Ying Lin
(Sat Apr 05 2008 - 06:45:34 PDT)
Re: AMBER: Minimisation: cis-azobenzene parameters
David A. Case
(Sat Apr 05 2008 - 14:11:17 PDT)
AMBER: RE: amber help
Ross Walker
(Sat Apr 05 2008 - 20:25:19 PDT)
AMBER: NAB examples
Hu, Shaowen (JSC-SK)[USRA]
(Mon Apr 07 2008 - 07:32:07 PDT)
Re: AMBER: NAB examples
David A. Case
(Mon Apr 07 2008 - 08:33:26 PDT)
RE: AMBER: NAB examples
Hu, Shaowen (JSC-SK)[USRA]
(Mon Apr 07 2008 - 09:09:44 PDT)
Re: AMBER: NAB examples
David A. Case
(Mon Apr 07 2008 - 09:26:58 PDT)
RE: AMBER: NAB examples
Hu, Shaowen (JSC-SK)[USRA]
(Mon Apr 07 2008 - 09:43:06 PDT)
Re: AMBER: NAB examples
David A. Case
(Mon Apr 07 2008 - 10:42:34 PDT)
AMBER: Build a MPI NAB
Hu, Shaowen (JSC-SK)[USRA]
(Mon Apr 07 2008 - 13:45:53 PDT)
Re: AMBER: Build a MPI NAB
David A. Case
(Mon Apr 07 2008 - 14:28:54 PDT)
RE: AMBER: Build a MPI NAB
Hu, Shaowen (JSC-SK)[USRA]
(Tue Apr 08 2008 - 13:19:22 PDT)
AMBER: Amber 9 run error
Andrew Borgert
(Tue Apr 08 2008 - 14:28:07 PDT)
RE: AMBER: Amber 9 run error
Ross Walker
(Tue Apr 08 2008 - 14:52:30 PDT)
Re: AMBER: Build a MPI NAB
David A. Case
(Tue Apr 08 2008 - 14:35:41 PDT)
RE: AMBER: Build a MPI NAB
Hu, Shaowen (JSC-SK)[USRA]
(Wed Apr 09 2008 - 07:12:57 PDT)
Re: AMBER: Build a MPI NAB
David A. Case
(Wed Apr 09 2008 - 09:27:28 PDT)
AMBER: Gbsa in NAB
Hu, Shaowen (JSC-SK)[USRA]
(Thu Apr 10 2008 - 10:04:14 PDT)
Re: AMBER: Gbsa in NAB
David A. Case
(Thu Apr 10 2008 - 10:24:17 PDT)
Re: AMBER: NAB examples
Andreas Svrcek-Seiler
(Mon Apr 07 2008 - 09:46:34 PDT)
Re: AMBER: reproducing http://amber.scripps.edu/tutorials/advanced/tutorial6/index.htm with explicit water
David A. Case
(Mon Apr 07 2008 - 13:40:27 PDT)
AMBER: how to change the force field parameters inside the prmtop file?
Chih-Ying Lin
(Mon Apr 07 2008 - 14:24:17 PDT)
Re: AMBER: how to change the force field parameters inside the prmtop file?
David A. Case
(Mon Apr 07 2008 - 17:05:21 PDT)
Re: AMBER: how to change the force field parameters inside the prmtop file?
Chih-Ying Lin
(Mon Apr 07 2008 - 21:13:39 PDT)
Re: AMBER: how to change the force field parameters inside the prmtop file?
David A. Case
(Mon Apr 07 2008 - 21:58:53 PDT)
Re: AMBER: how to change the force field parameters inside the prmtop file?
Chih-Ying Lin
(Tue Apr 08 2008 - 14:41:38 PDT)
Re: AMBER: how to change the force field parameters inside the prmtop file?
David A. Case
(Tue Apr 08 2008 - 15:08:00 PDT)
Re: AMBER: how to change the force field parameters inside the prmtop file?
Chih-Ying Lin
(Tue Apr 08 2008 - 15:31:27 PDT)
Re: AMBER: how to change the force field parameters inside the prmtop file?
Chih-Ying Lin
(Tue Apr 08 2008 - 15:39:39 PDT)
AMBER: Should the two phenyl rings of the trans-azobenzene on the same plane after minimisation?
Chih-Ying Lin
(Tue Apr 08 2008 - 18:03:53 PDT)
AMBER: restraint box dimension
aneesh cna
(Tue Apr 08 2008 - 03:45:20 PDT)
Re: AMBER: restraint box dimension
David A. Case
(Tue Apr 08 2008 - 17:34:05 PDT)
Re: AMBER: restraint box dimension
aneesh cna
(Fri Apr 11 2008 - 02:56:17 PDT)
Re: AMBER: restraint box dimension
Carlos Simmerling
(Fri Apr 11 2008 - 03:22:38 PDT)
AMBER: Should the two phenyl rings of the trans-azobenzene on the same plane after minimisation?
Chih-Ying Lin
(Tue Apr 08 2008 - 18:09:24 PDT)
AMBER: converting from CNS file format
Sally Pias
(Tue Apr 08 2008 - 22:32:11 PDT)
Re: AMBER: converting from CNS file format
Sally Pias
(Thu Apr 10 2008 - 22:04:55 PDT)
RE: AMBER: WARNING in readAmberTrajectory(): Set #7918 is corrupted (-)
zachary hartman
(Wed Apr 09 2008 - 07:00:45 PDT)
AMBER: Estimating dielectric constant
Marcelo Puiatti
(Wed Apr 09 2008 - 07:42:40 PDT)
AMBER: Collect dihedral angles
Chih-Ying Lin
(Wed Apr 09 2008 - 14:35:09 PDT)
AMBER: Tutorial B3- Section6
Chih-Ying Lin
(Wed Apr 09 2008 - 18:30:27 PDT)
Re: AMBER: Tutorial B3- Section6
David A. Case
(Wed Apr 09 2008 - 18:46:16 PDT)
Re: AMBER: Tutorial B3- Section6
Chih-Ying Lin
(Wed Apr 09 2008 - 19:13:32 PDT)
Re: AMBER: Tutorial B3- Section6
Chih-Ying Lin
(Thu Apr 10 2008 - 16:50:14 PDT)
Re: AMBER: Tutorial B3- Section6
Carlos Simmerling
(Fri Apr 11 2008 - 03:26:28 PDT)
AMBER: ASSERTion ' ier == 0 ' failed in nmode.f
Qi Yan
(Wed Apr 09 2008 - 16:24:08 PDT)
Re: AMBER: ASSERTion ' ier == 0 ' failed in nmode.f
David A. Case
(Wed Apr 09 2008 - 22:03:14 PDT)
AMBER: Initial Equilibration
dpandit.brandeis.edu
(Thu Apr 10 2008 - 13:45:01 PDT)
RE: AMBER: Initial Equilibration
Ross Walker
(Thu Apr 10 2008 - 18:29:30 PDT)
RE: AMBER: ASSERTion ' ier == 0 ' failed in nmode.f
Qi Yan
(Mon Apr 14 2008 - 14:50:27 PDT)
AMBER: Force field Parameters
Chih-Ying Lin
(Wed Apr 09 2008 - 19:17:51 PDT)
Re: AMBER: Charge scheme for simulating protonated adenine
prateeksha s
(Wed Apr 09 2008 - 23:11:35 PDT)
Re: AMBER: Charge scheme for simulating protonated adenine
prateeksha s
(Wed Apr 09 2008 - 23:19:40 PDT)
Re: AMBER: FAD and NAD parameters
Thomas Leonard
(Wed Apr 09 2008 - 23:43:47 PDT)
AMBER: tempi in Replica Exchange
rebeca.mmb.pcb.ub.es
(Thu Apr 10 2008 - 02:23:00 PDT)
Re: AMBER: tempi in Replica Exchange
Carlos Simmerling
(Thu Apr 10 2008 - 08:37:46 PDT)
AMBER: WHAM: how frequently do I need data on the system coordinates?
David Cerutti
(Thu Apr 10 2008 - 09:14:23 PDT)
Re: AMBER: WHAM: how frequently do I need data on the system coordinates?
John Chodera
(Thu Apr 10 2008 - 10:47:57 PDT)
AMBER: protein-ligand complex problem
Lynn
(Thu Apr 10 2008 - 15:51:32 PDT)
RE: AMBER: protein-ligand complex problem
Ross Walker
(Thu Apr 10 2008 - 16:50:19 PDT)
Re: AMBER: protein-ligand complex problem
David A. Case
(Thu Apr 10 2008 - 16:51:55 PDT)
AMBER: trans-azobenzene under minimisation
Chih-Ying Lin
(Thu Apr 10 2008 - 17:29:37 PDT)
AMBER: query about Generalized Born simulation
gurvisha.leadinvent.com
(Fri Apr 11 2008 - 06:42:23 PDT)
Re: AMBER: query about Generalized Born simulation
Carlos Simmerling
(Fri Apr 11 2008 - 07:15:53 PDT)
Re: AMBER: query about Generalized Born simulation
rpaduri.chem.wayne.edu
(Fri Apr 11 2008 - 07:31:21 PDT)
AMBER: Amber installation
jacopo.sgrignani.unifi.it
(Fri Apr 11 2008 - 06:23:24 PDT)
RE: AMBER: Amber installation
Ross Walker
(Fri Apr 11 2008 - 11:09:14 PDT)
Re: AMBER: Amber installation
Mengjuei Hsieh
(Fri Apr 11 2008 - 14:39:48 PDT)
RE: AMBER: Amber installation
Ross Walker
(Fri Apr 11 2008 - 15:45:42 PDT)
AMBER: Imaging before HBond analysis?
Evan Kelly
(Fri Apr 11 2008 - 13:34:41 PDT)
Re: AMBER: Imaging before HBond analysis?
Thomas Cheatham III
(Fri Apr 11 2008 - 15:24:29 PDT)
Re: AMBER: Imaging before HBond analysis?
Evan Kelly
(Fri Apr 11 2008 - 15:41:51 PDT)
Re: AMBER: Imaging before HBond analysis?
Thomas Cheatham III
(Fri Apr 11 2008 - 15:52:04 PDT)
Re: AMBER: Imaging before HBond analysis?
Evan Kelly
(Fri Apr 11 2008 - 16:09:32 PDT)
AMBER: installing pmemd with fftw
YangMingjun
(Sun Apr 13 2008 - 06:07:44 PDT)
Re: AMBER: installing pmemd with fftw
Robert Duke
(Sun Apr 13 2008 - 06:57:36 PDT)
Re: Re: AMBER: installing pmemd with fftw
YangMingjun
(Sun Apr 13 2008 - 18:08:16 PDT)
AMBER: topology file
Giuseppe De Marco
(Mon Apr 14 2008 - 02:38:37 PDT)
Re: AMBER: topology file
David A. Case
(Wed Apr 16 2008 - 10:45:52 PDT)
AMBER: Error: Bond: Maximum coordination exceeded -- setting atoms pert=true overrides default limits
Ted Fischer
(Mon Apr 14 2008 - 05:53:42 PDT)
Re: AMBER: Error: Bond: Maximum coordination exceeded -- setting atoms pert=true overrides default limits
David A. Case
(Mon Apr 14 2008 - 22:26:45 PDT)
Re: AMBER: Error: Bond: Maximum coordination exceeded -- setting atoms pert=true overrides default limits
Ted Fischer
(Tue Apr 15 2008 - 02:09:47 PDT)
Re: AMBER: Error: Bond: Maximum coordination exceeded -- setting atoms pert=true overrides default limits
David A. Case
(Fri Apr 18 2008 - 15:00:23 PDT)
AMBER: error in compilation elsize.cc
snoze pa
(Mon Apr 14 2008 - 09:38:07 PDT)
Re: AMBER: error in compilation elsize.cc
David A. Case
(Mon Apr 14 2008 - 10:11:33 PDT)
Re: AMBER: error in compilation elsize.cc
snoze pa
(Mon Apr 14 2008 - 11:20:40 PDT)
AMBER: ANNOUNCEMENT: release of Amber 10
David A. Case
(Mon Apr 14 2008 - 10:18:40 PDT)
AMBER: loadPdb returns extra atoms
Seth Lilavivat
(Mon Apr 14 2008 - 11:50:32 PDT)
Re: AMBER: loadPdb returns extra atoms
Thomas Cheatham III
(Mon Apr 14 2008 - 12:19:03 PDT)
AMBER: Problems compiling Amber with MKL
Sasha Buzko
(Mon Apr 14 2008 - 12:13:23 PDT)
RE: AMBER: Problems compiling Amber with MKL
Ross Walker
(Mon Apr 14 2008 - 14:32:49 PDT)
RE: AMBER: Problems compiling Amber with MKL
Sasha Buzko
(Mon Apr 14 2008 - 15:25:43 PDT)
RE: AMBER: Problems compiling Amber with MKL
Sasha Buzko
(Mon Apr 14 2008 - 16:24:05 PDT)
AMBER: JavaGenes
Shultz, Jack
(Mon Apr 14 2008 - 12:26:25 PDT)
AMBER: Whole System Equilibration & Pressure
dpandit.brandeis.edu
(Mon Apr 14 2008 - 13:57:54 PDT)
RE: AMBER: Whole System Equilibration & Pressure
Ross Walker
(Mon Apr 14 2008 - 14:37:51 PDT)
RE: AMBER: Whole System Equilibration & Pressure
dpandit.brandeis.edu
(Tue Apr 15 2008 - 07:16:35 PDT)
AMBER: energy decomposition vs ala scan
Sergio Wong
(Mon Apr 14 2008 - 19:05:41 PDT)
AMBER: imaging problem
Marcin Krol
(Tue Apr 15 2008 - 04:54:30 PDT)
Re: AMBER: imaging problem
Carlos Simmerling
(Tue Apr 15 2008 - 05:22:18 PDT)
Re: AMBER: imaging problem
Marcin Krol
(Tue Apr 15 2008 - 06:16:01 PDT)
Re: AMBER: imaging problem
David Smith
(Tue Apr 15 2008 - 06:30:48 PDT)
Re: AMBER: imaging problem
Marcin Krol
(Tue Apr 15 2008 - 06:38:07 PDT)
AMBER: mmpbsa with gromacs trajectory
jacopo.sgrignani.unifi.it
(Tue Apr 15 2008 - 07:10:21 PDT)
AMBER: loading pdb in leap to create parameter files
Cristina Sisu
(Tue Apr 15 2008 - 06:43:57 PDT)
Re: AMBER: loading pdb in leap to create parameter files
Da-Wei Li
(Tue Apr 15 2008 - 06:53:06 PDT)
Re: AMBER: loading pdb in leap to create parameter files
Cristina Sisu
(Tue Apr 15 2008 - 07:50:12 PDT)
RE: AMBER: loading pdb in leap to create parameter files
Steve Spronk
(Mon Apr 21 2008 - 10:04:34 PDT)
Re: AMBER: questions about run MD at different pH
Taufik Al-Sarraj
(Tue Apr 15 2008 - 09:15:28 PDT)
Re: AMBER: questions about run MD at different pH
David A. Case
(Tue Apr 15 2008 - 10:19:11 PDT)
Re: AMBER: questions about run MD at different pH
Taufik Al-Sarraj
(Tue Apr 15 2008 - 13:06:39 PDT)
Re: AMBER: questions about run MD at different pH
David A. Case
(Tue Apr 15 2008 - 13:59:27 PDT)
Re: AMBER: questions about run MD at different pH
Taufik Al-Sarraj
(Tue Apr 15 2008 - 15:47:10 PDT)
AMBER: Is it possible to run PIMD simulation with QM/MM potential in Amber10?
cgji
(Tue Apr 15 2008 - 08:27:08 PDT)
RE: AMBER: Is it possible to run PIMD simulation with QM/MM potential in Amber10?
Ross Walker
(Tue Apr 15 2008 - 08:47:53 PDT)
Re: AMBER: Is it possible to run PIMD simulation with QM/MM potential in Amber10?
David A. Case
(Tue Apr 15 2008 - 14:01:15 PDT)
AMBER: xleap segmentation fault on SaveAmberParm
Brendan Duggan
(Tue Apr 15 2008 - 12:15:46 PDT)
Re: AMBER: xleap segmentation fault on SaveAmberParm
Wei Zhang
(Tue Apr 15 2008 - 12:32:32 PDT)
Re: AMBER: xleap segmentation fault on SaveAmberParm
David A. Case
(Tue Apr 15 2008 - 14:00:47 PDT)
AMBER: Extracting the electric field (and its gradient) on particular solute atoms
John Chodera
(Tue Apr 15 2008 - 17:36:01 PDT)
Re: AMBER: Extracting the electric field (and its gradient) on particular solute atoms
Tom Darden
(Wed Apr 16 2008 - 14:30:53 PDT)
Re: AMBER: Extracting the electric field (and its gradient) on particular solute atoms
John Chodera
(Wed Apr 16 2008 - 15:15:19 PDT)
AMBER: PMF calculation for binding constant or rate constant?
Catein Catherine
(Tue Apr 15 2008 - 19:26:46 PDT)
Re: AMBER: PMF calculation for binding constant or rate constant?
David A. Case
(Wed Apr 16 2008 - 14:26:13 PDT)
AMBER: leap - using default radius 1.500000 for HO3
Nina Fischer
(Wed Apr 16 2008 - 02:08:59 PDT)
AMBER: vlimit-problems after image and restart
Anselm Horn
(Tue Apr 22 2008 - 02:04:46 PDT)
RE: AMBER: vlimit-problems after image and restart
Ross Walker
(Tue Apr 22 2008 - 21:45:29 PDT)
AMBER: Protonation states in Constant pH Simulations
Neil Bruce
(Wed Apr 16 2008 - 05:54:44 PDT)
AMBER: Distance in z dimension
Age.Skjevik.student.uib.no
(Wed Apr 16 2008 - 07:50:55 PDT)
AMBER: Amber9 with MPICH2 failure at runtime
Sasha Buzko
(Wed Apr 16 2008 - 14:43:07 PDT)
RE: AMBER: Amber9 with MPICH2 failure at runtime
Ross Walker
(Wed Apr 16 2008 - 15:05:26 PDT)
RE: AMBER: Amber9 with MPICH2 failure at runtime
Sasha Buzko
(Wed Apr 16 2008 - 15:43:12 PDT)
RE: AMBER: Amber9 with MPICH2 failure at runtime
Ross Walker
(Wed Apr 16 2008 - 16:47:03 PDT)
RE: AMBER: Amber9 with MPICH2 failure at runtime
Sasha Buzko
(Wed Apr 16 2008 - 17:06:14 PDT)
Re: AMBER: Amber9 with MPICH2 failure at runtime
David A. Case
(Wed Apr 16 2008 - 17:26:05 PDT)
Re: AMBER: Amber9 with MPICH2 failure at runtime
Sasha Buzko
(Wed Apr 16 2008 - 17:40:09 PDT)
RE: AMBER: Amber9 with MPICH2 failure at runtime
Ross Walker
(Wed Apr 16 2008 - 21:25:19 PDT)
Re: AMBER: Amber9 with MPICH2 failure at runtime
Sasha Buzko
(Wed Apr 16 2008 - 21:49:01 PDT)
AMBER: xLeap unit editor "seg fault"
inonshar.post.tau.ac.il
(Wed Apr 16 2008 - 22:49:01 PDT)
AMBER: Accessing Equilibration Results
dpandit.brandeis.edu
(Thu Apr 17 2008 - 06:29:35 PDT)
Re: AMBER: xLeap unit editor "seg fault"
David A. Case
(Thu Apr 17 2008 - 17:53:29 PDT)
AMBER: Scale LJ parameters
fatima.chami.durham.ac.uk
(Thu Apr 17 2008 - 04:20:40 PDT)
Re: AMBER: Scale LJ parameters
David A. Case
(Thu Apr 17 2008 - 17:54:43 PDT)
AMBER:
uccabke.ucl.ac.uk
(Thu Apr 17 2008 - 08:02:06 PDT)
AMBER: H atom names in Amber
David A. Case
(Thu Apr 17 2008 - 08:16:19 PDT)
Re: AMBER: H atom names in Amber
uccabke.ucl.ac.uk
(Thu Apr 17 2008 - 08:49:57 PDT)
Re: AMBER:
Da-Wei Li
(Thu Apr 17 2008 - 08:18:04 PDT)
Re: AMBER:
Florian Haberl
(Thu Apr 17 2008 - 08:17:24 PDT)
AMBER: Performance issues on Ethernet clusters
Sasha Buzko
(Thu Apr 17 2008 - 11:20:52 PDT)
Re: AMBER: Performance issues on Ethernet clusters
David A. Case
(Thu Apr 17 2008 - 12:02:45 PDT)
Re: AMBER: Performance issues on Ethernet clusters
Robert Duke
(Thu Apr 17 2008 - 13:14:32 PDT)
Re: AMBER: Performance issues on Ethernet clusters
Sasha Buzko
(Thu Apr 17 2008 - 14:18:44 PDT)
AMBER: SiCortex as an alternative to Ethernet and infiniband clusters
Kevin Abbey
(Thu Apr 17 2008 - 14:37:23 PDT)
Re: AMBER: SiCortex as an alternative to Ethernet and infiniband clusters
Sasha Buzko
(Thu Apr 17 2008 - 15:39:46 PDT)
AMBER: Conformation search...
Anthony Cruz
(Thu Apr 17 2008 - 12:32:52 PDT)
AMBER: Short trajectory segments / frequent restarts causes explosion
David Cerutti
(Thu Apr 17 2008 - 14:04:14 PDT)
Re: AMBER: Short trajectory segments / frequent restarts causes explosion
Robert Duke
(Thu Apr 17 2008 - 14:52:55 PDT)
AMBER: compile Amber9 on 64bit AMD Opteron
Jeffrey
(Fri Apr 18 2008 - 00:02:24 PDT)
Re: AMBER: compile Amber9 on 64bit AMD Opteron
David A. Case
(Fri Apr 18 2008 - 08:23:48 PDT)
AMBER: nmode problem
Hannes Wallnoefer
(Fri Apr 18 2008 - 02:01:27 PDT)
Re: AMBER: nmode problem
Hannes Wallnoefer
(Fri Apr 18 2008 - 02:44:38 PDT)
AMBER: AmberTools on OS X Leopard with Intel compilers
Yu Chen
(Fri Apr 18 2008 - 12:17:37 PDT)
Re: AMBER: AmberTools on OS X Leopard with Intel compilers
David A. Case
(Fri Apr 18 2008 - 13:44:36 PDT)
Re: AMBER: AmberTools on OS X Leopard with Intel compilers
David A. Case
(Fri Apr 18 2008 - 14:17:32 PDT)
Re: AMBER: AmberTools on OS X Leopard with Intel compilers
Yu Chen
(Mon Apr 21 2008 - 07:30:10 PDT)
Re: AMBER: AmberTools on OS X Leopard with Intel compilers
Yu Chen
(Mon Apr 21 2008 - 11:47:06 PDT)
Re: AMBER: AmberTools on OS X Leopard with Intel compilers
Scott Brozell
(Mon Apr 21 2008 - 13:15:29 PDT)
Re: AMBER: AmberTools on OS X Leopard with Intel compilers
Scott Brozell
(Mon Apr 21 2008 - 13:33:49 PDT)
Re: AMBER: AmberTools on OS X Leopard with Intel compilers
David A. Case
(Mon Apr 21 2008 - 12:05:38 PDT)
Re: AMBER: AmberTools on OS X Leopard with Intel compilers
Yu Chen
(Mon Apr 21 2008 - 12:52:16 PDT)
Re: AMBER: AmberTools on OS X Leopard with Intel compilers
David A. Case
(Mon Apr 21 2008 - 13:55:26 PDT)
Re: AMBER: AmberTools on OS X Leopard with Intel compilers
Yu Chen
(Mon Apr 21 2008 - 20:21:34 PDT)
Re: AMBER: AmberTools on OS X Leopard with Intel compilers
Mike Summers
(Tue Apr 22 2008 - 05:03:53 PDT)
Re: AMBER: AmberTools on OS X Leopard with Intel compilers
Mike Summers
(Tue Apr 22 2008 - 05:22:18 PDT)
AMBER: RESP charges
Jena M
(Tue Apr 22 2008 - 05:31:54 PDT)
AMBER: RE: amber8 files in amber9
Jena M
(Wed Apr 30 2008 - 08:55:45 PDT)
RE: AMBER: RE: amber8 files in amber9
Ross Walker
(Wed Apr 30 2008 - 09:24:49 PDT)
Re: AMBER: AmberTools on OS X Leopard with Intel compilers
David A. Case
(Tue Apr 22 2008 - 08:13:38 PDT)
AMBER: hydrogens are flying in replica exchange simulations
Ashish Sangwai
(Fri Apr 18 2008 - 16:43:01 PDT)
Re: AMBER: hydrogens are flying in replica exchange simulations
Carlos Simmerling
(Fri Apr 18 2008 - 17:02:39 PDT)
Re: AMBER: hydrogens are flying in replica exchange simulations
Ashish Sangwai
(Fri Apr 18 2008 - 17:18:32 PDT)
Re: AMBER: hydrogens are flying in replica exchange simulations
Ashish Sangwai
(Fri Apr 18 2008 - 17:28:02 PDT)
RE: AMBER: hydrogens are flying in replica exchange simulations
Ross Walker
(Fri Apr 18 2008 - 22:07:54 PDT)
Re: AMBER: hydrogens are flying in replica exchange simulations
Carlos Simmerling
(Sat Apr 19 2008 - 06:49:56 PDT)
Re: AMBER: hydrogens are flying in replica exchange simulations
Ashish Sangwai
(Sun Apr 20 2008 - 16:09:03 PDT)
Re: AMBER: hydrogens are flying in replica exchange simulations
Adrian Roitberg
(Mon Apr 21 2008 - 07:56:33 PDT)
Re: AMBER: hydrogens are flying in replica exchange simulations
Carlos Simmerling
(Mon Apr 21 2008 - 08:10:46 PDT)
Re: AMBER: hydrogens are flying in replica exchange simulations
Adrian Roitberg
(Mon Apr 21 2008 - 09:03:06 PDT)
Re: AMBER: hydrogens are flying in replica exchange simulations
Carlos Simmerling
(Mon Apr 21 2008 - 09:30:12 PDT)
Re: AMBER: hydrogens are flying in replica exchange simulations
Ashish Sangwai
(Mon Apr 21 2008 - 17:37:51 PDT)
Re: AMBER: hydrogens are flying in replica exchange simulations
Carlos Simmerling
(Tue Apr 22 2008 - 11:57:11 PDT)
Re: AMBER: hydrogens are flying in replica exchange simulations
Karl Kirschner (kkirschn)
(Mon Apr 21 2008 - 08:47:37 PDT)
AMBER: How to add radius of an atom
saurabh agrawal
(Sun Apr 20 2008 - 22:45:43 PDT)
AMBER: Average structure
James Thomas
(Mon Apr 21 2008 - 03:21:26 PDT)
Re: AMBER: Average structure
David Cerutti
(Mon Apr 21 2008 - 09:12:30 PDT)
RE: AMBER: Average structure
Ross Walker
(Mon Apr 21 2008 - 19:27:08 PDT)
RE: AMBER: Average structure
Francesco Pietra
(Tue Apr 22 2008 - 00:02:23 PDT)
AMBER: nmode
jacopo.sgrignani.unifi.it
(Mon Apr 21 2008 - 10:38:44 PDT)
Re: AMBER: nmode
David A. Case
(Mon Apr 21 2008 - 14:05:20 PDT)
AMBER: aromatic residues lost planarity during MD simulation
cniu.ualberta.ca
(Mon Apr 21 2008 - 13:18:26 PDT)
Re: AMBER: aromatic residues lost planarity during MD simulation
Carlos Simmerling
(Mon Apr 21 2008 - 13:25:19 PDT)
AMBER: Can sander provide ESP with PBC?
Khatcharin Siriwong
(Mon Apr 21 2008 - 18:36:17 PDT)
Re: AMBER: Can sander provide ESP with PBC?
John Chodera
(Mon Apr 21 2008 - 19:24:25 PDT)
Re: AMBER: Can sander provide ESP with PBC?
Thomas Steinbrecher
(Wed Apr 23 2008 - 11:39:10 PDT)
Re: AMBER: Can sander provide ESP with PBC?
Khatcharin Siriwong
(Wed Apr 23 2008 - 18:43:12 PDT)
AMBER: How to change default radius assigned to an atom
saurabh agrawal
(Mon Apr 21 2008 - 21:47:14 PDT)
Re: AMBER: How to change default radius assigned to an atom
David A. Case
(Mon Apr 21 2008 - 22:36:16 PDT)
Re: AMBER: How to change default radius assigned to an atom
Wei Zhang
(Wed Apr 23 2008 - 08:29:03 PDT)
AMBER: pressure varies in constant pressure membrane simulation
Vijay Manickam Achari
(Mon Apr 21 2008 - 22:58:29 PDT)
Re: AMBER: pressure varies in constant pressure membrane simulation
David A. Case
(Tue Apr 22 2008 - 11:31:53 PDT)
Re: AMBER: pressure varies in constant pressure membrane simulation
Vijay Manickam Achari
(Tue Apr 22 2008 - 21:10:54 PDT)
AMBER: matrxi dist command
priya priya
(Tue Apr 22 2008 - 04:37:50 PDT)
AMBER: minimization
san_amber roy
(Tue Apr 22 2008 - 07:01:52 PDT)
AMBER: refine cyana structures!
Hongyan Li
(Tue Apr 22 2008 - 18:33:08 PDT)
AMBER: RE: amber tutorial A3
Ross Walker
(Tue Apr 22 2008 - 21:45:29 PDT)
AMBER: Topology file format for Amber9
Xioling Chuang
(Tue Apr 22 2008 - 22:41:32 PDT)
Re: AMBER: Topology file format for Amber9
David A. Case
(Wed Apr 23 2008 - 09:01:13 PDT)
AMBER: cross time correlation function
fatima.chami.durham.ac.uk
(Wed Apr 23 2008 - 05:55:28 PDT)
Re: AMBER: cross time correlation function
David A. Case
(Wed Apr 23 2008 - 08:55:07 PDT)
Re: AMBER: cross time correlation function
fatima.chami.durham.ac.uk
(Wed Apr 23 2008 - 10:00:43 PDT)
Re: AMBER: cross time correlation function
David A. Case
(Wed Apr 23 2008 - 10:10:46 PDT)
AMBER: ESP on atoms (2)
Khatcharin Siriwong
(Wed Apr 23 2008 - 07:29:04 PDT)
AMBER: 2D-RMSD
Tom McGrory
(Wed Apr 23 2008 - 08:00:57 PDT)
AMBER: Amber10 on Leopard with Intel compilers, "Undefined symbols" error
Yu Chen
(Wed Apr 23 2008 - 11:03:13 PDT)
Re: AMBER: Amber10 on Leopard with Intel compilers, "Undefined symbols" error
David A. Case
(Wed Apr 23 2008 - 11:34:30 PDT)
Re: AMBER: Amber10 on Leopard with Intel compilers, "Undefined symbols" error
Yu Chen
(Wed Apr 23 2008 - 11:50:54 PDT)
AMBER: Tutorial B5
Chih-Ying Lin
(Wed Apr 23 2008 - 15:13:56 PDT)
Re: AMBER: Tutorial B5
Alessandro Nascimento
(Wed Apr 23 2008 - 17:25:12 PDT)
Re: AMBER: Tutorial B5
Chih-Ying Lin
(Wed Apr 23 2008 - 18:09:23 PDT)
RE: AMBER: Tutorial B5
Ross Walker
(Wed Apr 23 2008 - 19:06:42 PDT)
Re: RE: AMBER: Tutorial B5
Chih-Ying Lin
(Wed Apr 23 2008 - 20:08:19 PDT)
AMBER: How to print out the improper dihedral angles/wilson angles?
Chih-Ying Lin
(Thu Apr 24 2008 - 17:23:51 PDT)
AMBER: saveamberparm
taufik.alsarraj.utoronto.ca
(Wed Apr 23 2008 - 17:34:02 PDT)
Re: AMBER: saveamberparm
David A. Case
(Thu Apr 24 2008 - 07:58:20 PDT)
AMBER: Si parameters for MD (AMBER9)
Taufik Al-Sarraj
(Fri Apr 25 2008 - 15:08:44 PDT)
AMBER: saveamberparm
taufik.alsarraj.utoronto.ca
(Wed Apr 23 2008 - 17:38:16 PDT)
AMBER: sander & imin=5
Xioling Chuang
(Thu Apr 24 2008 - 00:03:09 PDT)
Re: AMBER: sander & imin=5
David A. Case
(Fri Apr 25 2008 - 11:38:25 PDT)
AMBER: water in the binding site MMPBSA
jacopo.sgrignani.unifi.it
(Thu Apr 24 2008 - 06:51:43 PDT)
AMBER: pmemd: "undefined reference to `mpi_(name-varies)'"
Lachele Foley (Lists)
(Thu Apr 24 2008 - 07:22:42 PDT)
Re: AMBER: pmemd: "undefined reference to `mpi_(name-varies)'"
Robert Duke
(Thu Apr 24 2008 - 08:04:31 PDT)
Re: AMBER: pmemd: "undefined reference to `mpi_(name-varies)'"
Gustavo Seabra
(Thu Apr 24 2008 - 10:51:10 PDT)
Re: AMBER: pmemd: "undefined reference to `mpi_(name-varies)'"
Lachele Foley (Lists)
(Thu Apr 24 2008 - 12:16:50 PDT)
Re: AMBER: pmemd: "undefined reference to `mpi_(name-varies)'"
Robert Duke
(Thu Apr 24 2008 - 12:45:31 PDT)
AMBER: double strand DNA break up (imaging)
Seth Lilavivat
(Thu Apr 24 2008 - 11:53:44 PDT)
Re: AMBER: double strand DNA break up (imaging)
Thomas Cheatham III
(Thu Apr 24 2008 - 12:43:36 PDT)
AMBER: nmode output
jacopo.sgrignani.unifi.it
(Fri Apr 25 2008 - 01:36:35 PDT)
Re: AMBER: nmode output
Lachele Foley (Lists)
(Fri Apr 25 2008 - 07:09:37 PDT)
AMBER: query regarding loadpadb
Anamika Awasthi
(Fri Apr 25 2008 - 01:33:19 PDT)
Re: AMBER: query regarding loadpadb
Reena .....
(Fri Apr 25 2008 - 04:07:21 PDT)
AMBER: parallel error : undefined reference to `MAIN_'
Arturas Ziemys
(Fri Apr 25 2008 - 14:14:59 PDT)
AMBER: AMD Opteron: compiler recommendations?
Sasha Buzko
(Fri Apr 25 2008 - 14:54:57 PDT)
Re: AMBER: AMD Opteron: compiler recommendations?
Robert Duke
(Fri Apr 25 2008 - 15:04:58 PDT)
Re: AMBER: AMD Opteron: compiler recommendations?
Sasha Buzko
(Fri Apr 25 2008 - 15:14:19 PDT)
Re: AMBER: AMD Opteron: compiler recommendations?
Francesco Pietra
(Sat Apr 26 2008 - 00:01:46 PDT)
Re: AMBER: AMD Opteron: compiler recommendations?
Sasha Buzko
(Sat Apr 26 2008 - 13:31:23 PDT)
Re: AMBER: AMD Opteron: compiler recommendations?
Francesco Pietra
(Sat Apr 26 2008 - 13:56:13 PDT)
Re: AMBER: AMD Opteron: compiler recommendations?
Sasha Buzko
(Sat Apr 26 2008 - 14:15:18 PDT)
Fw: Re: AMBER: AMD Opteron: compiler recommendations?
Francesco Pietra
(Sat Apr 26 2008 - 00:05:18 PDT)
AMBER: .... RESTARTED DUE TO LINMIN FAILURE ...
saurabh agrawal
(Sat Apr 26 2008 - 04:36:13 PDT)
Re: AMBER: .... RESTARTED DUE TO LINMIN FAILURE ...
Barbault Florent
(Sat Apr 26 2008 - 06:13:47 PDT)
AMBER: Azobenzene: dihedral angle CCNN force field parameter
Chih-Ying Lin
(Sat Apr 26 2008 - 12:09:03 PDT)
Re: AMBER: Azobenzene: dihedral angle CCNN force field parameter
Adrian Roitberg
(Sat Apr 26 2008 - 14:10:25 PDT)
Re: AMBER: .... RESTARTED DUE TO LINMIN FAILURE ...
saurabh agrawal
(Sat Apr 26 2008 - 07:15:38 PDT)
Re: AMBER: .... RESTARTED DUE TO LINMIN FAILURE ...
Barbault Florent
(Tue Apr 29 2008 - 13:56:09 PDT)
RE: AMBER: .... RESTARTED DUE TO LINMIN FAILURE ...
Ross Walker
(Tue Apr 29 2008 - 13:57:21 PDT)
RE: AMBER: .... RESTARTED DUE TO LINMIN FAILURE ...
Ross Walker
(Sat Apr 26 2008 - 22:59:57 PDT)
RE: AMBER: .... RESTARTED DUE TO LINMIN FAILURE ...
saurabh agrawal
(Sun Apr 27 2008 - 22:18:50 PDT)
AMBER: memory usage
Ye Mei
(Sat Apr 26 2008 - 06:57:44 PDT)
RE: AMBER: memory usage
Ross Walker
(Sat Apr 26 2008 - 23:07:04 PDT)
Re: RE: AMBER: memory usage
Ye Mei
(Sun Apr 27 2008 - 07:52:42 PDT)
RE: RE: AMBER: memory usage
Ross Walker
(Sun Apr 27 2008 - 09:45:16 PDT)
Re: RE: RE: AMBER: memory usage
Ye Mei
(Mon Apr 28 2008 - 07:06:20 PDT)
Re: RE: RE: AMBER: memory usage
David A. Case
(Mon Apr 28 2008 - 10:26:22 PDT)
AMBER: NMR restraints
Ilyas Yildirim
(Sun Apr 27 2008 - 23:53:51 PDT)
Re: AMBER: NMR restraints
David A. Case
(Mon Apr 28 2008 - 08:20:53 PDT)
AMBER: Read trajectories generated by CHARMM
Jeffrey
(Mon Apr 28 2008 - 06:06:17 PDT)
Re: AMBER: Read trajectories generated by CHARMM
David A. Case
(Mon Apr 28 2008 - 08:25:13 PDT)
AMBER: Parrallel computing
Chih-Ying Lin
(Mon Apr 28 2008 - 17:14:10 PDT)
RE: AMBER: Parrallel computing
Ross Walker
(Mon Apr 28 2008 - 23:09:44 PDT)
Re: Re: AMBER: Read trajectories generated by CHARMM
Jeffrey
(Mon Apr 28 2008 - 17:58:36 PDT)
AMBER: query regarding energy minimization
Anamika Awasthi
(Mon Apr 28 2008 - 06:22:24 PDT)
Re: AMBER: query regarding energy minimization
rpaduri.chem.wayne.edu
(Mon Apr 28 2008 - 07:26:25 PDT)
Re: AMBER: query regarding energy minimization
Deepangi Pandit
(Mon Apr 28 2008 - 07:39:39 PDT)
Re: AMBER: query regarding energy minimization
D.Usharani
(Mon Apr 28 2008 - 22:20:29 PDT)
RE: AMBER: query regarding energy minimization
Ross Walker
(Mon Apr 28 2008 - 23:16:11 PDT)
AMBER: Charge derivation: RESP vs. antechamber
Catein Catherine
(Tue Apr 29 2008 - 03:21:54 PDT)
AMBER: Charge derivation: RESP vs. antechamber
Catein Catherine
(Tue Apr 29 2008 - 03:21:55 PDT)
Re: AMBER: Charge derivation: RESP vs. antechamber
David A. Case
(Tue Apr 29 2008 - 16:40:40 PDT)
AMBER: segmentation fault in SANDER
Anamika Awasthi
(Tue Apr 29 2008 - 04:44:29 PDT)
RE: AMBER: segmentation fault in SANDER
Ross Walker
(Tue Apr 29 2008 - 07:15:08 PDT)
AMBER: prmtop spec trivia
Lachele Foley (Lists)
(Tue Apr 29 2008 - 08:07:29 PDT)
RE: AMBER: prmtop spec trivia
Ross Walker
(Tue Apr 29 2008 - 08:34:04 PDT)
Re: AMBER: prmtop spec trivia
Lachele Foley (Lists)
(Tue Apr 29 2008 - 09:13:41 PDT)
RE: AMBER: prmtop spec trivia
Ross Walker
(Tue Apr 29 2008 - 10:55:02 PDT)
Re: AMBER: prmtop spec trivia
Lachele Foley (Lists)
(Tue Apr 29 2008 - 11:25:53 PDT)
Re: AMBER: prmtop spec trivia
David A. Case
(Tue Apr 29 2008 - 11:58:30 PDT)
Re: AMBER: prmtop spec trivia
Lachele Foley (Lists)
(Tue Apr 29 2008 - 12:21:43 PDT)
AMBER: regarding segfault during energy minimization
Anamika Awasthi
(Tue Apr 29 2008 - 22:13:21 PDT)
RE: AMBER: regarding segfault during energy minimization
Ross Walker
(Tue Apr 29 2008 - 22:40:21 PDT)
AMBER: distance matrix command
priya priya
(Wed Apr 30 2008 - 02:01:24 PDT)
AMBER: Constat area simulation
gurpreet singh
(Wed Apr 30 2008 - 04:23:35 PDT)
AMBER: Dose AMBER 10 pmemd support openmpi?
Hu, Shaowen (JSC-SK)[USRA]
(Wed Apr 30 2008 - 06:04:28 PDT)
Re: AMBER: Dose AMBER 10 pmemd support openmpi?
Robert Duke
(Wed Apr 30 2008 - 08:16:58 PDT)
Re: AMBER: Dose AMBER 10 pmemd support openmpi?
David A. Case
(Wed Apr 30 2008 - 08:22:48 PDT)
Re: AMBER: Dose AMBER 10 pmemd support openmpi?
Robert Duke
(Wed Apr 30 2008 - 08:40:44 PDT)
RE: AMBER: Dose AMBER 10 pmemd support openmpi?
Hu, Shaowen (JSC-SK)[USRA]
(Wed Apr 30 2008 - 09:07:39 PDT)
AMBER: amber 9 compilation problem on IBM SP5
Andrew Emerson
(Wed Apr 30 2008 - 05:44:38 PDT)
Re: AMBER: amber 9 compilation problem on IBM SP5
David A. Case
(Wed Apr 30 2008 - 11:37:11 PDT)
AMBER: about glycam06
WANG,YING
(Wed Apr 30 2008 - 09:00:12 PDT)
Re: AMBER: about glycam06
Austin B. Yongye
(Wed Apr 30 2008 - 10:26:44 PDT)
Re: AMBER: about glycam06
WANG,YING
(Wed Apr 30 2008 - 12:49:46 PDT)
Re: AMBER: about glycam06
Austin B. Yongye
(Wed Apr 30 2008 - 14:47:32 PDT)
AMBER: calibration of constant pH simulations
Lillian Chong
(Wed Apr 30 2008 - 10:17:47 PDT)
Re: AMBER: calibration of constant pH simulations
Adrian Roitberg
(Wed Apr 30 2008 - 11:05:33 PDT)
AMBER: Cysteine sulphonic acid parameters
Rima Chaudhuri
(Wed Apr 30 2008 - 15:48:42 PDT)
Re: AMBER: Cysteine sulphonic acid parameters
David A. Case
(Wed Apr 30 2008 - 17:06:02 PDT)
Last message date
:
Sun May 04 2008 - 06:07:15 PDT
Archived on
: Mon Dec 23 2024 - 05:53:36 PST
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