Amber Archive Jan 2005 By Thread
307 messages
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Starting
Sat Jan 01 2005 - 14:53:00 PST,
Ending
Tue Feb 01 2005 - 01:53:00 PST
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Re: AMBER: Problem with computing Resp charges using RED
Cenk Andac
(Sat Jan 01 2005 - 06:08:24 PST)
Re: AMBER: Problem with computing Resp charges using RED
FyD
(Sat Jan 01 2005 - 11:51:12 PST)
AMBER: Sander and NMODE energy minimization
fangyu liang
(Sat Jan 01 2005 - 21:53:49 PST)
Re: AMBER: Sander and NMODE energy minimization
David A. Case
(Sun Jan 02 2005 - 14:47:28 PST)
Re: AMBER: NSCM
David A. Case
(Sun Jan 02 2005 - 14:35:54 PST)
AMBER: How can i use AMBER with CHARMM forcefield parameter?
ÍőСÇĺ
(Sun Jan 02 2005 - 19:54:25 PST)
Re: AMBER: How can i use AMBER with CHARMM forcefield parameter?
David A. Case
(Thu Jan 06 2005 - 06:23:44 PST)
AMBER: MM_PBSA fillratio error
Jiten
(Mon Jan 03 2005 - 01:36:30 PST)
Re: AMBER: MM_PBSA fillratio error
Ray Luo
(Mon Jan 03 2005 - 14:28:46 PST)
Re: AMBER: MM_PBSA fillratio error
Jiten
(Tue Jan 04 2005 - 22:54:35 PST)
AMBER: Hbonds restraints OK but Dihedral restraints not applied
pl
(Mon Jan 03 2005 - 06:06:48 PST)
Re: AMBER: Hbonds restraints OK but Dihedral restraints not applied
David A. Case
(Mon Jan 03 2005 - 08:34:09 PST)
Re: AMBER: Hbonds restraints OK but Dihedral restraints not applied
pl
(Tue Jan 04 2005 - 03:27:07 PST)
Re: AMBER: Hbonds restraints OK but Dihedral restraints not applied
Carlos Simmerling
(Tue Jan 04 2005 - 04:47:03 PST)
Re: AMBER: Hbonds restraints OK but Dihedral restraints not applied
pl
(Tue Jan 04 2005 - 05:25:39 PST)
AMBER: Weighting of different restraint types?
pl
(Fri Jan 07 2005 - 05:03:15 PST)
Re: AMBER: Weighting of different restraint types?
David A. Case
(Fri Jan 07 2005 - 16:06:37 PST)
Re: AMBER: Weighting of different restraint types?
pl
(Mon Jan 10 2005 - 01:27:19 PST)
Re: AMBER: Hbonds restraints OK but Dihedral restraints not applied
Bill Ross
(Tue Jan 04 2005 - 10:07:49 PST)
AMBER: AMBER related employment
Anthony Fejes
(Mon Jan 03 2005 - 17:43:24 PST)
AMBER: lipid bilayer membrane force field parameter
Xiaoqing,Wang
(Tue Jan 04 2005 - 01:51:47 PST)
AMBER: Steered Molecular Dynamics with AMBER?
Rino Ragno
(Tue Jan 04 2005 - 14:33:09 PST)
Re: AMBER: Steered Molecular Dynamics with AMBER?
Carlos Simmerling
(Tue Jan 04 2005 - 14:47:38 PST)
Re: AMBER: Steered Molecular Dynamics with AMBER?
David E. Konerding
(Tue Jan 04 2005 - 20:44:15 PST)
Re: AMBER: Steered Molecular Dynamics with AMBER?
Anthony Fejes
(Wed Jan 05 2005 - 08:26:05 PST)
Re: AMBER: Steered Molecular Dynamics with AMBER?
Piotr Cieplak
(Tue Jan 04 2005 - 23:29:41 PST)
Re: AMBER: Steered Molecular Dynamics with AMBER?
aldo jongejan
(Tue Jan 04 2005 - 23:46:44 PST)
Re: AMBER: Steered Molecular Dynamics with AMBER?
Adrian E. Roitberg
(Wed Jan 05 2005 - 06:13:10 PST)
Re: AMBER: Dummy Atoms: How to create them?
Ilyas Yildirim
(Tue Jan 04 2005 - 19:25:24 PST)
Re: AMBER: Dummy Atoms: How to create them?
David A. Case
(Wed Jan 05 2005 - 09:40:11 PST)
Re: AMBER: Dummy Atoms: How to create them?
Ilyas Yildirim
(Wed Jan 05 2005 - 13:05:22 PST)
Re: AMBER: Dummy Atoms: How to create them?
David A. Case
(Tue Jan 11 2005 - 21:54:02 PST)
AMBER: lipid parameter file
Xiaoqing,Wang
(Wed Jan 05 2005 - 00:23:07 PST)
AMBER: distance between images
cailliez
(Wed Jan 05 2005 - 02:34:46 PST)
Re: AMBER: distance between images
Thomas E. Cheatham, III
(Wed Jan 05 2005 - 09:29:19 PST)
AMBER: MM_PBSA arguments for MM calculations
Nelson Fonseca
(Wed Jan 05 2005 - 03:54:30 PST)
AMBER: Floating Exception in sander
anshul.imtech.res.in
(Wed Jan 05 2005 - 15:26:20 PST)
Re: AMBER: Floating Exception in sander
Robert Duke
(Wed Jan 05 2005 - 05:55:22 PST)
Re: AMBER: Floating Exception in sander
anshul.imtech.res.in
(Fri Jan 07 2005 - 06:14:12 PST)
Re: AMBER: Floating Exception in sander
Robert Duke
(Fri Jan 07 2005 - 05:15:44 PST)
AMBER: General Question about AMBER's Free Energy Perturbation Method
Chris Moth
(Wed Jan 05 2005 - 14:06:33 PST)
AMBER: about install amber8 on windows
xiaowen
(Thu Jan 06 2005 - 14:56:53 PST)
Re: AMBER: about install amber8 on windows
David A. Case
(Fri Jan 07 2005 - 10:59:27 PST)
AMBER: recompiling problem on IBM aix
Yuuki A. Komata
(Thu Jan 06 2005 - 18:35:46 PST)
Re: AMBER: recompiling problem on IBM aix
David A. Case
(Fri Jan 07 2005 - 11:03:30 PST)
AMBER: Questions about sander.QMMM
Cenk Andac
(Fri Jan 07 2005 - 07:51:56 PST)
Re: AMBER: Questions about sander.QMMM
M. L. Dodson
(Fri Jan 07 2005 - 08:26:25 PST)
Re: AMBER: Questions about sander.QMMM
M. L. Dodson
(Fri Jan 07 2005 - 08:45:45 PST)
RE: AMBER: Questions about sander.QMMM
Ross Walker
(Fri Jan 07 2005 - 11:38:29 PST)
RE: AMBER: Questions about sander.QMMM
Cenk Andac
(Sat Jan 08 2005 - 01:57:22 PST)
AMBER: dynamics
Germán Sciaini
(Sat Jan 08 2005 - 11:51:30 PST)
Re: AMBER: dynamics
David A. Case
(Sat Jan 08 2005 - 13:05:53 PST)
AMBER: Floating Exception and installation on Digital Unix.
anshul.imtech.res.in
(Sun Jan 09 2005 - 19:32:11 PST)
Re: AMBER: Floating Exception and installation on Digital Unix.
Robert Duke
(Sun Jan 09 2005 - 09:54:16 PST)
Re: AMBER: Floating Exception and installation on Digital Unix.
anshul.imtech.res.in
(Tue Jan 11 2005 - 07:17:32 PST)
Re: AMBER: Floating Exception and installation on Digital Unix.
Robert Duke
(Tue Jan 11 2005 - 05:18:20 PST)
Re: AMBER: Floating Exception and installation on Digital Unix.
M. L. Dodson
(Tue Jan 11 2005 - 07:46:45 PST)
AMBER: QM/MM with pmemd
Ping Lin
(Tue Jan 11 2005 - 11:08:45 PST)
AMBER: error in parallel
gsmith.ibab.ac.in
(Mon Jan 10 2005 - 00:18:51 PST)
AMBER: .dat and frcmod files
Ilyas Yildirim
(Mon Jan 10 2005 - 14:10:36 PST)
Re: AMBER: .dat and frcmod files
Anthony Fejes
(Mon Jan 10 2005 - 14:47:12 PST)
Re: AMBER: .dat and frcmod files
Germán Sciaini
(Tue Jan 11 2005 - 02:46:03 PST)
AMBER: pmemd and restraints
Filip Lankas
(Wed Jan 26 2005 - 09:01:50 PST)
Re: AMBER: pmemd and restraints
Robert Duke
(Wed Jan 26 2005 - 09:45:01 PST)
Re: AMBER: pmemd and restraints
Fabien Cailliez
(Thu Jan 27 2005 - 01:01:31 PST)
Re: AMBER: pmemd and restraints
Robert Duke
(Thu Jan 27 2005 - 05:15:00 PST)
AMBER: istart2
gsmith.ibab.ac.in
(Mon Jan 10 2005 - 05:14:15 PST)
RE: AMBER: istart2
Ross Walker
(Mon Jan 10 2005 - 09:18:32 PST)
AMBER: guanidinium chloride
Monica Civera
(Mon Jan 10 2005 - 07:27:38 PST)
RE: AMBER: guanidinium chloride
Nagy, Peter I.
(Mon Jan 10 2005 - 09:15:41 PST)
AMBER: Copper library?
Cenk Andac
(Mon Jan 10 2005 - 10:31:51 PST)
Re: AMBER: Copper library?
Germán Sciaini
(Tue Jan 11 2005 - 02:40:55 PST)
AMBER: the DNA conformation after engery minimization using NMODE
Xiaowei (David) Li
(Mon Jan 10 2005 - 11:32:26 PST)
AMBER: AMBER tutorial ambpdb question
Kara Wald
(Mon Jan 10 2005 - 17:33:44 PST)
RE: AMBER: AMBER tutorial ambpdb question
Ross Walker
(Mon Jan 10 2005 - 18:14:49 PST)
Re: AMBER: AMBER tutorial ambpdb question
David A. Case
(Mon Jan 10 2005 - 19:16:10 PST)
Re: AMBER: the DNA conformation after engery minimization using NMODE
Bill Ross
(Mon Jan 10 2005 - 19:56:25 PST)
AMBER: parallel run
gsmith.ibab.ac.in
(Tue Jan 11 2005 - 02:27:20 PST)
AMBER: sander free energy calculation
Cai, Yufeng
(Tue Jan 11 2005 - 11:47:03 PST)
AMBER: PB dynamics
Nelson Fonseca
(Wed Jan 12 2005 - 02:06:33 PST)
AMBER: van der waals parameters
Monica Civera
(Wed Jan 12 2005 - 03:42:53 PST)
Re: AMBER: van der waals parameters
Carlos Simmerling
(Wed Jan 12 2005 - 04:41:31 PST)
Re: AMBER: PB dynamics
David A. Case
(Wed Jan 12 2005 - 09:26:19 PST)
AMBER: amber8 parallel sander
yen li
(Wed Jan 12 2005 - 02:57:19 PST)
Re: AMBER: amber8 parallel sander
Carlos Simmerling
(Wed Jan 12 2005 - 04:38:30 PST)
Re: AMBER: amber8 parallel sander
Robert Duke
(Wed Jan 12 2005 - 05:03:05 PST)
Re: AMBER: amber8 parallel sander
yen li
(Wed Jan 12 2005 - 05:54:48 PST)
Re: AMBER: amber8 parallel sander
Carlos Simmerling
(Wed Jan 12 2005 - 06:03:32 PST)
Re: AMBER: amber8 parallel sander
Robert Duke
(Wed Jan 12 2005 - 07:20:40 PST)
Re: AMBER: amber8 parallel sander
Carlos Simmerling
(Wed Jan 12 2005 - 07:30:22 PST)
Re: AMBER: amber8 parallel sander
Bill Ross
(Wed Jan 12 2005 - 12:12:18 PST)
Re: AMBER: amber8 parallel sander
yen li
(Mon Jan 17 2005 - 09:55:26 PST)
Re: AMBER: amber8 parallel sander
Robert Duke
(Mon Jan 17 2005 - 10:13:10 PST)
AMBER: units
Monica Civera
(Wed Jan 12 2005 - 07:12:19 PST)
Re: AMBER: units
David A. Case
(Wed Jan 12 2005 - 09:22:03 PST)
Re: AMBER: units
Germán Sciaini
(Thu Jan 13 2005 - 03:33:16 PST)
Re: AMBER: units
Germán Sciaini
(Thu Jan 13 2005 - 03:35:07 PST)
AMBER: Problem with restart file
Azira Muhamad
(Wed Jan 12 2005 - 23:45:30 PST)
Re: AMBER: Problem with restart file
Melinda Layten
(Thu Jan 13 2005 - 06:53:42 PST)
Re: AMBER: Problem with restart file
Guanglei Cui
(Thu Jan 13 2005 - 07:40:14 PST)
AMBER: PBCAL=0. Problems in MM/PBSA
Javier Perez Miron
(Thu Jan 13 2005 - 12:41:29 PST)
Re: AMBER: PBCAL=0. Problems in MM/PBSA
Holger Gohlke
(Thu Jan 13 2005 - 23:31:45 PST)
AMBER: problem runing parallel (REM) on tru64
Sergio E. Wong
(Fri Jan 21 2005 - 16:22:26 PST)
Re: AMBER: problem runing parallel (REM) on tru64
David A. Case
(Sat Jan 22 2005 - 10:25:55 PST)
Re: AMBER: problem runing parallel (REM) on tru64
Sergio E. Wong
(Sat Jan 22 2005 - 12:44:23 PST)
AMBER: amber 8 benchmarks dec alpha
Sergio E. Wong
(Mon Jan 24 2005 - 14:08:14 PST)
Re: AMBER: amber 8 benchmarks dec alpha
Robert Duke
(Mon Jan 24 2005 - 14:27:50 PST)
Re: AMBER: amber 8 benchmarks dec alpha
Sergio E. Wong
(Mon Jan 24 2005 - 15:54:41 PST)
AMBER: last call for early registrations for "Horizons2005"
Vlad Cojocaru
(Fri Jan 14 2005 - 05:19:00 PST)
AMBER: protonate
Gustavo Pierdominici Sottile
(Fri Jan 14 2005 - 10:05:49 PST)
Re: AMBER: protonate
David A. Case
(Fri Jan 14 2005 - 10:36:35 PST)
Re: AMBER: protonate
myang
(Tue Jan 18 2005 - 08:07:12 PST)
FW: AMBER: parametrization problem
Ross Walker
(Fri Jan 14 2005 - 14:39:12 PST)
RE: FW: AMBER: parametrization problem
Vineet Pande
(Sat Jan 15 2005 - 03:15:39 PST)
AMBER: Coordinate Superimposition in PTRAJ
Vineet Pande
(Sun Jan 16 2005 - 03:42:09 PST)
Re: AMBER: Coordinate Superimposition in PTRAJ
Carlos Simmerling
(Sun Jan 16 2005 - 06:56:30 PST)
RE: AMBER: Coordinate Superimposition in PTRAJ
Ross Walker
(Sun Jan 16 2005 - 10:59:48 PST)
RE: AMBER: Coordinate Superimposition in PTRAJ
Vineet Pande
(Mon Jan 17 2005 - 01:45:20 PST)
AMBER: How to set AMBER parameter files for lipid?
Xiaoqing Wang
(Sun Jan 16 2005 - 17:38:49 PST)
AMBER: Sander Replica Exchange exits with unit 6 error]
Jordi Rodrigo
(Mon Jan 17 2005 - 00:02:51 PST)
Re: AMBER: Sander Replica Exchange exits with unit 6 error]
Carlos Simmerling
(Mon Jan 17 2005 - 05:58:20 PST)
AMBER: distance restraint and file fort.35
Fabien Cailliez
(Mon Jan 17 2005 - 03:34:00 PST)
Re: AMBER: distance restraint and file fort.35
Robert Duke
(Mon Jan 17 2005 - 06:48:57 PST)
Re: AMBER: distance restraint and file fort.35
Fabien Cailliez
(Mon Jan 17 2005 - 07:58:03 PST)
AMBER: RMS fluctuations along modes obtained from PCA
Majid moghaddam
(Mon Jan 17 2005 - 05:47:56 PST)
Re: AMBER: RMS fluctuations along modes obtained from PCA
Holger Gohlke
(Wed Jan 19 2005 - 06:51:10 PST)
AMBER: Sander Replica Exchange exits with unit 6 error
Jordi Rodrigo
(Mon Jan 17 2005 - 04:37:00 PST)
Re: AMBER: Sander Replica Exchange exits with unit 6 error
Carlos Simmerling
(Mon Jan 17 2005 - 06:45:56 PST)
Re: AMBER: Sander Replica Exchange exits with unit 6 error
Guanglei Cui
(Mon Jan 17 2005 - 08:09:03 PST)
AMBER: Sander Replica Exchange exits with unit 6 error
Jordi Rodrigo
(Mon Jan 17 2005 - 05:25:14 PST)
AMBER: new aminoacid
Gustavo Pierdominici Sottile
(Mon Jan 17 2005 - 08:26:32 PST)
Re: AMBER: new aminoacid
David A. Case
(Mon Jan 17 2005 - 09:56:34 PST)
RE: AMBER: new aminoacid
Ross Walker
(Mon Jan 17 2005 - 10:34:05 PST)
AMBER: Sander Replica Exchange exits with unit 6 error
Jordi Rodrigo
(Mon Jan 17 2005 - 06:57:53 PST)
Re: AMBER: Sander Replica Exchange exits with unit 6 error
Carlos Simmerling
(Mon Jan 17 2005 - 09:17:56 PST)
Re: AMBER: Sander Replica Exchange exits with unit 6 error
Guanglei Cui
(Mon Jan 17 2005 - 11:31:07 PST)
AMBER: Compiling AMBER 8 for Mac OSX (Parallel)
nallen.unca.edu
(Mon Jan 17 2005 - 09:41:06 PST)
Re: AMBER: Compiling AMBER 8 for Mac OSX (Parallel)
Emmanuel Giudice
(Mon Jan 17 2005 - 22:09:47 PST)
RE: AMBER: Compiling AMBER 8 for Mac OSX (Parallel)
Ross Walker
(Wed Jan 19 2005 - 10:23:40 PST)
AMBER: H-atom types attached to a carbon atom next to carbonyl group
Takashi Nakamura
(Mon Jan 17 2005 - 09:52:56 PST)
RE: AMBER: H-atom types attached to a carbon atom next to carbonyl group
Vineet Pande
(Mon Jan 17 2005 - 12:32:37 PST)
AMBER: SO4 prep file
Jagdish Rai
(Tue Jan 18 2005 - 04:36:42 PST)
Re: AMBER: SO4 prep file
scopio
(Tue Jan 18 2005 - 04:57:29 PST)
AMBER: details of new aminoacid
Gustavo Pierdominici Sottile
(Tue Jan 18 2005 - 05:01:15 PST)
Re: AMBER: details of new aminoacid
David A. Case
(Tue Jan 18 2005 - 08:01:20 PST)
AMBER: GB differences between AMBER7 and AMBER8
Fabien Cailliez
(Tue Jan 18 2005 - 05:53:04 PST)
Re: AMBER: GB differences between AMBER7 and AMBER8
Carlos Simmerling
(Tue Jan 18 2005 - 06:08:20 PST)
AMBER: problem with position restraints (refc file)
pl
(Tue Jan 18 2005 - 07:25:27 PST)
Re: AMBER: problem with position restraints (refc file)
Carlos Simmerling
(Tue Jan 18 2005 - 08:03:03 PST)
Re: AMBER: problem with position restraints (refc file)
pl
(Tue Jan 18 2005 - 09:13:17 PST)
Re: AMBER: problem with position restraints (refc file)
Carlos Simmerling
(Tue Jan 18 2005 - 09:36:55 PST)
Re: AMBER: problem with position restraints (refc file)
pl
(Wed Jan 19 2005 - 03:47:18 PST)
AMBER: Amber8 installation problems on Sparc/Solaris9
Joe Nolan
(Tue Jan 18 2005 - 08:17:35 PST)
Re: AMBER: Amber8 installation problems on Sparc/Solaris9
David A. Case
(Tue Jan 18 2005 - 08:48:33 PST)
AMBER: Sander Replica Exchange exits with unit 6 error
Jordi Rodrigo
(Tue Jan 18 2005 - 06:46:27 PST)
AMBER: Converting prmtop and inpcrd files
Andrew Box
(Tue Jan 18 2005 - 15:02:02 PST)
Re: AMBER: Converting prmtop and inpcrd files
Bill Ross
(Tue Jan 18 2005 - 15:43:04 PST)
AMBER: Scaling of charges in a polarizable simulation !
Pradipta Bandyopadhyay
(Wed Jan 19 2005 - 08:02:37 PST)
Re: AMBER: Scaling of charges in a polarizable simulation !
David A. Case
(Wed Jan 19 2005 - 12:11:08 PST)
Re: AMBER: Scaling of charges in a polarizable simulation !
Pradipta Bandyopadhyay
(Wed Jan 19 2005 - 20:54:13 PST)
Re: AMBER: Scaling of charges in a polarizable simulation !
Piotr Cieplak
(Wed Jan 19 2005 - 22:56:04 PST)
AMBER: IGB parameter
Javier Perez Miron
(Wed Jan 19 2005 - 09:09:38 PST)
Re: AMBER: IGB parameter
Furse, Kristina Elisabet
(Wed Jan 19 2005 - 11:33:13 PST)
AMBER: enhanced sampling methods
Vlad Cojocaru
(Wed Jan 19 2005 - 10:13:58 PST)
Re: AMBER: enhanced sampling methods
David A. Case
(Wed Jan 19 2005 - 12:34:24 PST)
AMBER: AMBER8: compiling under cygwin using lahey fortran
Rino Ragno
(Wed Jan 19 2005 - 14:13:07 PST)
Re: AMBER: Scaling of charges in a polarizable simulation !
Piotr Cieplak
(Wed Jan 19 2005 - 10:14:05 PST)
AMBER: ptraj analysis
Thomas E. Cheatham, III
(Wed Jan 19 2005 - 10:16:17 PST)
Re: AMBER: ptraj analysis
David A. Case
(Wed Jan 19 2005 - 12:24:58 PST)
Re: AMBER: ptraj analysis
Holger Gohlke
(Wed Jan 19 2005 - 23:28:27 PST)
AMBER:Hydroxy Proline
S.Sundar Raman
(Thu Jan 20 2005 - 01:19:42 PST)
AMBER: pmemd and distance restraint
Fabien Cailliez
(Thu Jan 20 2005 - 02:39:20 PST)
Re: AMBER: pmemd and distance restraint
Robert Duke
(Thu Jan 20 2005 - 04:41:30 PST)
Re: AMBER: pmemd and distance restraint
Robert Duke
(Thu Jan 20 2005 - 19:12:17 PST)
AMBER: some question about MM-PBSA
scopio
(Thu Jan 20 2005 - 07:10:39 PST)
AMBER: Cutoff for anal
Harianto
(Thu Jan 20 2005 - 09:50:14 PST)
Re: AMBER: Cutoff for anal
David A. Case
(Thu Jan 20 2005 - 11:17:31 PST)
AMBER: new tutorial available
David A. Case
(Thu Jan 20 2005 - 11:06:30 PST)
Re: AMBER: new tutorial available
Ilyas Yildirim
(Wed Jan 26 2005 - 03:59:16 PST)
Re: AMBER: new tutorial available
Julien Michel
(Wed Jan 26 2005 - 05:48:55 PST)
Re: AMBER: new tutorial available
David A. Case
(Wed Jan 26 2005 - 09:27:58 PST)
Re: AMBER: new tutorial available
Difei Wang
(Fri Jan 28 2005 - 16:08:59 PST)
Re: AMBER: new tutorial available
David A. Case
(Fri Jan 28 2005 - 16:57:28 PST)
AMBER: Can someone recommend a tutorial?
Kara Wald
(Thu Jan 20 2005 - 12:28:46 PST)
RE: AMBER: Can someone recommend a tutorial?
Ross Walker
(Thu Jan 20 2005 - 12:37:22 PST)
AMBER: sander failure
ygao.phase1.unl.edu
(Thu Jan 20 2005 - 13:46:56 PST)
RE: AMBER: sander failure
Ross Walker
(Thu Jan 20 2005 - 14:04:32 PST)
RE: AMBER: sander failure
ygao.phase1.unl.edu
(Thu Jan 20 2005 - 14:09:56 PST)
Re: AMBER: sander failure
Carlos Simmerling
(Thu Jan 20 2005 - 14:20:00 PST)
RE: AMBER: sander failure
Ross Walker
(Thu Jan 20 2005 - 14:26:58 PST)
RE: AMBER: sander failure
ygao.phase1.unl.edu
(Thu Jan 20 2005 - 14:31:37 PST)
RE: AMBER: sander failure
Ross Walker
(Thu Jan 20 2005 - 14:47:34 PST)
Re: AMBER: sander failure
Asim Okur
(Thu Jan 20 2005 - 14:50:25 PST)
AMBER: Suspended (tty input)
ygao.phase1.unl.edu
(Thu Jan 20 2005 - 15:39:48 PST)
RE: AMBER: Suspended (tty input)
Ross Walker
(Thu Jan 20 2005 - 15:58:13 PST)
Re: AMBER: Suspended (tty input)
Thomas E. Cheatham, III
(Thu Jan 20 2005 - 16:09:16 PST)
AMBER: &dipoles in sander
Cenk Andac
(Fri Jan 21 2005 - 03:59:47 PST)
RE: AMBER: &dipoles in sander
Ross Walker
(Fri Jan 21 2005 - 10:26:24 PST)
RE: AMBER: &dipoles in sander
Cenk Andac
(Sat Jan 22 2005 - 01:47:50 PST)
RE: AMBER: &dipoles in sander
Ross Walker
(Sat Jan 22 2005 - 11:11:54 PST)
RE: AMBER: &dipoles in sander
Cenk Andac
(Fri Jan 28 2005 - 02:04:21 PST)
RE: AMBER: &dipoles in sander
Ross Walker
(Fri Jan 28 2005 - 10:10:21 PST)
Re: AMBER: &dipoles in sander
David A. Case
(Fri Jan 28 2005 - 10:21:59 PST)
Re: AMBER: &dipoles in sander
Cenk Andac
(Fri Jan 28 2005 - 11:25:36 PST)
AMBER: mm_pbsa example doesn't run
Yuuki Komata
(Fri Jan 21 2005 - 04:10:48 PST)
AMBER: amber 8 installation
Stern, Julie
(Fri Jan 21 2005 - 09:28:17 PST)
Re: AMBER: amber 8 installation
David A. Case
(Fri Jan 21 2005 - 09:55:50 PST)
Re: AMBER: amber 8 installation
Robert Duke
(Fri Jan 21 2005 - 10:03:42 PST)
AMBER: Andersen thermostat: target T?
Arantxa Sanz
(Fri Jan 21 2005 - 11:06:01 PST)
Re: AMBER: Andersen thermostat: target T?
David A. Case
(Fri Jan 21 2005 - 16:23:17 PST)
RE: AMBER: Andersen thermostat: target T?
Arantxa Sanz
(Mon Jan 24 2005 - 02:18:05 PST)
AMBER: carnal - water-mediated HBond
Sichun Yang
(Fri Jan 21 2005 - 14:36:52 PST)
AMBER: eedmeth=5
Lihua Wang
(Fri Jan 21 2005 - 16:20:59 PST)
Re: AMBER: eedmeth=5
David A. Case
(Sat Jan 22 2005 - 10:20:22 PST)
RE: AMBER: eedmeth=5
Vineet Pande
(Sun Jan 23 2005 - 03:46:23 PST)
AMBER: nmode calculation
mingche Pan
(Fri Jan 21 2005 - 17:43:32 PST)
Re: AMBER: carnal - water-mediated HBond
Bill Ross
(Sat Jan 22 2005 - 20:49:09 PST)
Re: AMBER: carnal - water-mediated HBond
Jiri Sponer
(Sun Jan 23 2005 - 06:52:55 PST)
AMBER: Question about TI integral method
tanc.uci.edu
(Sun Jan 23 2005 - 02:01:33 PST)
Re: AMBER: Question about TI integral method
David A. Case
(Sun Jan 23 2005 - 22:41:26 PST)
AMBER: D-amino acid prep-files(simple method)
Jagdish Rai
(Sun Jan 23 2005 - 06:18:45 PST)
Re: AMBER: D-amino acid prep-files(simple method)
FyD
(Sun Jan 23 2005 - 12:05:38 PST)
AMBER: system size limit
Guanglei Cui
(Sun Jan 23 2005 - 21:54:06 PST)
Re: AMBER: system size limit
David A. Case
(Sun Jan 23 2005 - 22:56:30 PST)
AMBER: What does a crash mean while running a md simulation?
shuli kang
(Sun Jan 23 2005 - 21:56:00 PST)
RE: AMBER: What does a crash mean while running a md simulation?
Ross Walker
(Mon Jan 24 2005 - 11:19:48 PST)
Re: AMBER: What does a crash mean while running a md simulation?
shuli kang
(Mon Jan 24 2005 - 21:58:54 PST)
RE: AMBER: What does a crash mean while running a md simulation?
Ross Walker
(Mon Jan 24 2005 - 22:28:32 PST)
Re: AMBER: What does a crash mean while running a md simulation?
shuli kang
(Mon Jan 24 2005 - 23:35:45 PST)
AMBER: FW: amber 8 problem
Vojtěch Klusák
(Mon Jan 24 2005 - 00:13:47 PST)
Re: AMBER: FW: amber 8 problem
David A. Case
(Mon Jan 31 2005 - 10:37:08 PST)
AMBER: nmode calculation
mingche Pan
(Mon Jan 24 2005 - 07:34:18 PST)
RE: AMBER: nmode calculation
Ross Walker
(Mon Jan 24 2005 - 11:13:59 PST)
RE: AMBER: nmode calculation
mingche Pan
(Mon Jan 24 2005 - 14:12:13 PST)
AMBER: AMBER 8: Freeze AND restrain questions
Guillaume Bollot
(Mon Jan 24 2005 - 08:19:11 PST)
Re: AMBER: AMBER 8: Freeze AND restrain questions
Viktor Hornak
(Mon Jan 24 2005 - 10:02:53 PST)
AMBER: test suite possible failures
Stern, Julie
(Mon Jan 24 2005 - 11:39:42 PST)
Re: AMBER: test suite possible failures
David A. Case
(Mon Jan 24 2005 - 14:38:21 PST)
AMBER: How to make PDB file by myself
Mayumi Haga
(Mon Jan 24 2005 - 20:23:32 PST)
RE: AMBER: How to make PDB file by myself
Vineet Pande
(Tue Jan 25 2005 - 03:06:42 PST)
Re: AMBER: How to make PDB file by myself
David A. Case
(Tue Jan 25 2005 - 08:40:21 PST)
AMBER: TI with electrostatic decoupling at sander
yipinl.umich.edu
(Mon Jan 24 2005 - 21:15:43 PST)
Re: AMBER: TI with electrostatic decoupling at sander
David A. Case
(Tue Jan 25 2005 - 08:41:36 PST)
Re: AMBER: TI with electrostatic decoupling at sander
yipinl.umich.edu
(Wed Jan 26 2005 - 09:19:43 PST)
Re: AMBER: TI with electrostatic decoupling at sander
David A. Case
(Wed Jan 26 2005 - 21:51:32 PST)
Re: AMBER: TI with electrostatic decoupling at sander
yipinl.umich.edu
(Thu Jan 27 2005 - 09:39:46 PST)
Re: AMBER: TI with electrostatic decoupling at sander
David A. Case
(Thu Jan 27 2005 - 17:27:10 PST)
AMBER: calculating electrostatic potential
Vlad Cojocaru
(Tue Jan 25 2005 - 02:59:48 PST)
Re: AMBER: calculating electrostatic potential
david.evans.ulsop.ac.uk
(Tue Jan 25 2005 - 03:24:52 PST)
AMBER: Error while running resp.
praveena moldy
(Tue Jan 25 2005 - 06:24:01 PST)
Re: AMBER: Error while running resp.
David A. Case
(Tue Jan 25 2005 - 08:43:32 PST)
AMBER: Error while running resp.
praveena moldy
(Tue Jan 25 2005 - 06:28:55 PST)
Re: AMBER: calculating electrostatic potential
Ilyas Yildirim
(Tue Jan 25 2005 - 10:26:32 PST)
AMBER: PBSA residual and pairwise decompostion
Jiten
(Tue Jan 25 2005 - 05:43:38 PST)
AMBER: LEAP
heddi
(Tue Jan 25 2005 - 05:42:36 PST)
AMBER: Sander Replica Exchange exits with unit 6 error
Jordi Rodrigo
(Tue Jan 25 2005 - 06:28:13 PST)
AMBER: gold atoms
Stern, Julie
(Tue Jan 25 2005 - 08:53:09 PST)
AMBER: collision frequency in GBSA dynamics
Giulio Rastelli
(Tue Jan 25 2005 - 10:33:33 PST)
Re: AMBER: collision frequency in GBSA dynamics
David A. Case
(Tue Jan 25 2005 - 14:23:34 PST)
AMBER: NAN errors
Venkata S Koppuravuri
(Tue Jan 25 2005 - 13:39:45 PST)
RE: AMBER: NAN errors
Ross Walker
(Tue Jan 25 2005 - 13:56:33 PST)
Re: AMBER: NAN errors
David A. Case
(Tue Jan 25 2005 - 14:09:11 PST)
AMBER: ANTECHAMBER & DIVCON
Vineet Pande
(Wed Jan 26 2005 - 02:18:17 PST)
Re: AMBER: ANTECHAMBER & DIVCON
Julien Michel
(Wed Jan 26 2005 - 03:09:05 PST)
Re: AMBER: ANTECHAMBER & DIVCON
David A. Case
(Thu Jan 27 2005 - 17:12:23 PST)
AMBER: how to solvate in TIP5P box
ygao.phase1.unl.edu
(Wed Jan 26 2005 - 07:59:43 PST)
RE: AMBER: how to solvate in TIP5P box
Ross Walker
(Wed Jan 26 2005 - 10:26:22 PST)
AMBER: Increasing Volume with ntb=1
Harianto
(Wed Jan 26 2005 - 12:12:29 PST)
RE: AMBER: Increasing Volume with ntb=1
Ross Walker
(Wed Jan 26 2005 - 12:42:13 PST)
Re: AMBER: Increasing Volume with ntb=1
Harianto
(Wed Jan 26 2005 - 15:19:59 PST)
RE: AMBER: Increasing Volume with ntb=1
Ross Walker
(Wed Jan 26 2005 - 14:59:57 PST)
Re: AMBER: Increasing Volume with ntb=1
Harianto
(Thu Jan 27 2005 - 09:49:52 PST)
RE: AMBER: Increasing Volume with ntb=1
Ross Walker
(Thu Jan 27 2005 - 10:13:27 PST)
AMBER:idecomp
B
(Thu Jan 27 2005 - 03:22:37 PST)
AMBER: replica exchange trouble with unit 6
Yuuki Komata
(Thu Jan 27 2005 - 06:39:03 PST)
Re: AMBER: replica exchange trouble with unit 6
Carlos Simmerling
(Thu Jan 27 2005 - 07:10:20 PST)
Re: AMBER: replica exchange trouble with unit 6
Yuuki Komata
(Thu Jan 27 2005 - 17:27:50 PST)
AMBER: antechamber error message
Yanze Zhang
(Thu Jan 27 2005 - 07:02:46 PST)
Re: AMBER: antechamber error message
David A. Case
(Fri Jan 28 2005 - 14:00:22 PST)
AMBER: problem with pressure equilibration
Cenk Andac
(Thu Jan 27 2005 - 14:23:59 PST)
RE: AMBER: problem with pressure equilibration
Ross Walker
(Thu Jan 27 2005 - 14:45:20 PST)
RE: AMBER: problem with pressure equilibration
Cenk Andac
(Fri Jan 28 2005 - 11:18:02 PST)
AMBER: question about xwin load pdb file
xiaowen
(Thu Jan 27 2005 - 21:04:57 PST)
RE: AMBER: question about xwin load pdb file
Ross Walker
(Thu Jan 27 2005 - 21:38:30 PST)
AMBER: sugar pucker with Carnal and ptraj
Vlad Cojocaru
(Fri Jan 28 2005 - 06:56:23 PST)
AMBER: pucker: deatails about pucker calculation
Vlad Cojocaru
(Fri Jan 28 2005 - 07:13:13 PST)
AMBER: question about xwin load pdb file
xiaowen
(Fri Jan 28 2005 - 08:48:28 PST)
RE: AMBER: question about xwin load pdb file
Ross Walker
(Fri Jan 28 2005 - 10:20:18 PST)
AMBER: plane definition in ptraj
Vlad Cojocaru
(Fri Jan 28 2005 - 10:00:23 PST)
AMBER: Problems with xLEaP
Kara Di Giorgio
(Fri Jan 28 2005 - 14:04:14 PST)
RE: AMBER: Problems with xLEaP
Ross Walker
(Fri Jan 28 2005 - 14:19:52 PST)
Re: AMBER: Problems with xLEaP
Kara Di Giorgio
(Fri Jan 28 2005 - 16:14:02 PST)
Re: AMBER: Problems with xLEaP
Kara Di Giorgio
(Fri Jan 28 2005 - 16:48:52 PST)
Re: AMBER: Problems with xLEaP
Bill Ross
(Fri Jan 28 2005 - 14:26:12 PST)
Re: AMBER: Problems with xLEaP
Kara Di Giorgio
(Fri Jan 28 2005 - 16:18:44 PST)
RE: AMBER: Problems with xLEaP
Ross Walker
(Fri Jan 28 2005 - 16:29:10 PST)
AMBER: NCOPY definition
Kenley Barrett
(Fri Jan 28 2005 - 14:59:14 PST)
RE: AMBER: NCOPY definition
Ross Walker
(Fri Jan 28 2005 - 15:18:05 PST)
AMBER: Problem in ptraj
anshul.imtech.res.in
(Mon Jan 31 2005 - 14:23:30 PST)
Re: AMBER: Problem in ptraj
Furse, Kristina Elisabet
(Mon Jan 31 2005 - 09:22:21 PST)
AMBER: amber 8 problem
Vojtěch Klusák
(Mon Jan 31 2005 - 05:01:35 PST)
AMBER: gaussian output file
Yanze Zhang
(Mon Jan 31 2005 - 09:09:40 PST)
AMBER: skip snapshots with ptraj in amber 8.0
Eric Hu
(Mon Jan 31 2005 - 11:30:58 PST)
Re: AMBER: skip snapshots with ptraj in amber 8.0
Guanglei Cui
(Mon Jan 31 2005 - 14:19:27 PST)
Re: AMBER: skip snapshots with ptraj in amber 8.0
Eric Hu
(Mon Jan 31 2005 - 17:08:26 PST)
AMBER: Manuals need update: protonate -b and -c options gone in Amber 7 and 8
Chris Moth
(Mon Jan 31 2005 - 13:39:56 PST)
Re: AMBER: Manuals need update: protonate -b and -c options gone in Amber 7 and 8
David A. Case
(Mon Jan 31 2005 - 14:56:21 PST)
Last message date
:
Tue Feb 01 2005 - 01:53:00 PST
Archived on
: Fri Mar 12 2010 - 05:59:26 PST
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