Amber Archive Jul 2003 by thread
267 messages
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Starting
Tue Jul 01 2003 - 09:53:01 PDT,
Ending
Fri Aug 01 2003 - 00:53:01 PDT
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Nmode recompilation
Thomas Steinbrecher
(Tue Jul 01 2003 - 01:41:33 PDT)
g77 on 32 bits cpu (was Re: Nmode recompilation)
Tru Huynh
(Tue Jul 01 2003 - 02:48:15 PDT)
Re: AMBER Cutoff
Darren Davies
(Tue Jul 01 2003 - 03:45:05 PDT)
Re: AMBER Cutoff
David A. Case
(Tue Jul 01 2003 - 08:00:00 PDT)
parallel version amber installation problem
Raja Swaminathan
(Tue Jul 01 2003 - 04:09:43 PDT)
Re: parallel version amber installation problem
David A. Case
(Tue Jul 01 2003 - 10:43:03 PDT)
parallel version amber installation problem
Raja Swaminathan
(Tue Jul 01 2003 - 04:12:41 PDT)
(no subject)
Lifang Xu
(Tue Jul 01 2003 - 07:22:43 PDT)
Re: your mail (IBM runtime problem)
Thomas Cheatham
(Tue Jul 01 2003 - 09:58:00 PDT)
Re: protonate
David A. Case
(Tue Jul 01 2003 - 10:29:54 PDT)
Re: Questions about output archive and micromolecules
David A. Case
(Tue Jul 01 2003 - 10:39:33 PDT)
input problem
Herbert Georg
(Tue Jul 01 2003 - 12:12:23 PDT)
Re: input problem
David A. Case
(Tue Jul 01 2003 - 12:24:42 PDT)
Nmode doesn't work ?
Gus Carri
(Tue Jul 01 2003 - 14:09:11 PDT)
about the read error
Zhi Qiang ZHOU
(Tue Jul 01 2003 - 19:35:41 PDT)
PMF
X. Tan
(Wed Jul 02 2003 - 12:02:53 PDT)
Nmanal
Gus Carri
(Wed Jul 02 2003 - 14:26:50 PDT)
Antechamber
Shweta Sikri
(Thu Jul 03 2003 - 09:29:03 PDT)
Re: Antechamber
David A. Case
(Thu Jul 03 2003 - 09:59:12 PDT)
Re: Antechamber
Shweta Sikri
(Thu Jul 03 2003 - 10:18:58 PDT)
Re: Antechamber
David A. Case
(Thu Jul 03 2003 - 10:36:47 PDT)
sander,ntt=5
Monika Fuxreiter
(Fri Jul 04 2003 - 04:17:33 PDT)
Re: sander,ntt=5
David A. Case
(Fri Jul 04 2003 - 10:13:21 PDT)
How to do a rigid solvent model?
Marco Aurelio Correia Preto
(Fri Jul 04 2003 - 07:30:00 PDT)
Re: How to do a rigid solvent model?
David A. Case
(Fri Jul 04 2003 - 10:16:51 PDT)
Re: How to do a rigid solvent model?
Carlos Simmerling
(Fri Jul 04 2003 - 10:25:21 PDT)
RE: How to do a rigid solvent model?
Yong Duan
(Sat Jul 05 2003 - 11:48:01 PDT)
Re: How to do a rigid solvent model?
Carlos Simmerling
(Sat Jul 05 2003 - 13:06:39 PDT)
RE: How to do a rigid solvent model?
Yong Duan
(Sun Jul 06 2003 - 12:59:23 PDT)
RE: How to do a rigid solvent model?
Marco Aurelio Correia Preto
(Mon Jul 07 2003 - 01:25:27 PDT)
Machine file available for ICC compiler ?
Teletchéa Stéphane
(Fri Jul 04 2003 - 10:08:30 PDT)
Re: Machine file available for ICC compiler ?
David A. Case
(Fri Jul 04 2003 - 12:14:00 PDT)
vlimit exceeded
Peter Anderson
(Sat Jul 05 2003 - 09:39:01 PDT)
parallelisation
gold gunaseelan
(Mon Jul 07 2003 - 06:32:00 PDT)
Re: parallelisation
Carlos Simmerling
(Mon Jul 07 2003 - 06:38:32 PDT)
ALAscan of Proline
Martin Lepsik
(Mon Jul 07 2003 - 14:14:09 PDT)
Valdiation of Latest Amber parameters
Sia Meshkat
(Mon Jul 07 2003 - 09:35:57 PDT)
Re: Valdiation of Latest Amber parameters
David A. Case
(Mon Jul 07 2003 - 14:23:48 PDT)
RE: Valdiation of Latest Amber parameters
Sia Meshkat
(Mon Jul 07 2003 - 14:48:41 PDT)
RE: Valdiation of Latest Amber parameters
caldwell.heimdal.compchem.ucsf.edu
(Mon Jul 07 2003 - 14:44:53 PDT)
Re: Valdiation of Latest Amber parameters
David A. Case
(Mon Jul 07 2003 - 15:04:01 PDT)
RE: Valdiation of Latest Amber parameters
Sia Meshkat
(Mon Jul 07 2003 - 15:19:04 PDT)
RE: Valdiation of Latest Amber parameters
Yong Duan
(Mon Jul 07 2003 - 16:28:41 PDT)
Re: Valdiation of Latest Amber parameters
Carlos Simmerling
(Mon Jul 07 2003 - 17:50:14 PDT)
RE: Valdiation of Latest Amber parameters
Sia Meshkat
(Mon Jul 07 2003 - 18:40:52 PDT)
RE: Valdiation of Latest Amber parameters
Yong Duan
(Tue Jul 08 2003 - 20:12:27 PDT)
Re: Valdiation of Latest Amber parameters
Jiri Sponer
(Wed Jul 09 2003 - 10:03:53 PDT)
RE: Valdiation of Latest Amber parameters
Yong Duan
(Wed Jul 09 2003 - 22:25:33 PDT)
ptraj
Ioana Cozmuta
(Mon Jul 07 2003 - 12:06:13 PDT)
New program available: PMEMD (Particle Mesh Ewald Molecular Dynamics)
David A. Case
(Mon Jul 07 2003 - 14:13:33 PDT)
correction to location of the PMEMD program
David A. Case
(Mon Jul 07 2003 - 14:17:44 PDT)
diffusion in ptraj
Ioana Cozmuta
(Mon Jul 07 2003 - 14:56:56 PDT)
constraint + restraint
tang kwa
(Tue Jul 08 2003 - 00:05:11 PDT)
Re: constraint + restraint
David A. Case
(Tue Jul 08 2003 - 10:33:35 PDT)
Distribution Min with truncated octahedron box
Ling Zhang
(Tue Jul 08 2003 - 10:24:47 PDT)
Re: Distribution Min with truncated octahedron box
Bill Ross
(Tue Jul 08 2003 - 11:24:09 PDT)
Re: Distribution Min with truncated octahedron box
Ling Zhang
(Tue Jul 08 2003 - 11:31:42 PDT)
carnal in big systems
GUILLERMINA L ESTIU
(Tue Jul 08 2003 - 11:44:21 PDT)
Re: carnal in big systems
Bill Ross
(Tue Jul 08 2003 - 12:22:09 PDT)
Lennard-Jones A and B coefficients
Gus Carri
(Tue Jul 08 2003 - 15:53:56 PDT)
memory shortage with mm_pbsa
Peter Anderson
(Tue Jul 08 2003 - 17:36:09 PDT)
Re: memory shortage with mm_pbsa
David A. Case
(Tue Jul 08 2003 - 18:47:55 PDT)
Re: memory shortage with mm_pbsa - some more thoughts
Joffre Heredia
(Sat Jul 12 2003 - 03:26:39 PDT)
AMBER: Re: memory shortage with mm_pbsa - some more thoughts
Qing Zhang
(Mon Jul 14 2003 - 16:10:26 PDT)
Ar as a solvent
ENikitina
(Wed Jul 09 2003 - 04:42:47 PDT)
May I get your help?
Wu Yingliang
(Wed Jul 09 2003 - 05:39:05 PDT)
Re: May I get your help?
David A. Case
(Thu Jul 10 2003 - 20:05:21 PDT)
RE: May I get your help?
Zhijun Li
(Fri Jul 11 2003 - 08:22:30 PDT)
memory problem
zhaoxc.puccini.che.pitt.edu
(Wed Jul 09 2003 - 06:34:09 PDT)
Re: memory problem
David A. Case
(Thu Jul 10 2003 - 20:03:14 PDT)
Refining a docked protein complex
Wu Yingliang
(Wed Jul 09 2003 - 06:59:26 PDT)
(no subject)
Richard Dayton Smith
(Wed Jul 09 2003 - 10:23:38 PDT)
Re: your mail
David A. Case
(Thu Jul 10 2003 - 20:01:51 PDT)
Adding missing parameters
Peter Anderson
(Wed Jul 09 2003 - 11:18:33 PDT)
Re: Adding missing parameters
David A. Case
(Thu Jul 10 2003 - 19:58:21 PDT)
npscal
Shuang Ding
(Wed Jul 09 2003 - 13:12:04 PDT)
Re: npscal
David A. Case
(Wed Jul 09 2003 - 13:53:54 PDT)
Temperature control
Andrei Leitão
(Wed Jul 09 2003 - 13:25:12 PDT)
Re: Temperature control
Carlos Simmerling
(Wed Jul 09 2003 - 13:38:26 PDT)
Re: Temperature control
David A. Case
(Wed Jul 09 2003 - 13:53:10 PDT)
Re: Temperature control
Carlos Simmerling
(Wed Jul 09 2003 - 14:15:29 PDT)
van der Waals term
David
(Wed Jul 09 2003 - 23:47:34 PDT)
AMBER question
David
(Wed Jul 09 2003 - 23:51:31 PDT)
Amber7 on Opteron
Florian Barth
(Thu Jul 10 2003 - 03:46:32 PDT)
RE: Amber7 on Opteron
Ross Walker
(Thu Jul 10 2003 - 04:58:08 PDT)
3 simultaneous simulations in one computer
ptolonen.cc.joensuu.fi
(Thu Jul 10 2003 - 04:20:15 PDT)
RE: 3 simultaneous simulations in one computer
Ross Walker
(Thu Jul 10 2003 - 05:01:57 PDT)
nab compilation
Vlad Cojocaru
(Thu Jul 10 2003 - 05:02:04 PDT)
Opteron Experience
ian r gould
(Thu Jul 10 2003 - 06:29:38 PDT)
effect of forcing neutrality
zhaoxc.puccini.che.pitt.edu
(Thu Jul 10 2003 - 12:56:00 PDT)
Re: effect of forcing neutrality
David A. Case
(Mon Jul 14 2003 - 08:49:57 PDT)
Re: effect of forcing neutrality
zhaoxc.puccini.che.pitt.edu
(Mon Jul 14 2003 - 09:17:24 PDT)
resp for charged molecule?
quch quch
(Thu Jul 10 2003 - 14:09:08 PDT)
Comparative MD
FyD
(Fri Jul 11 2003 - 06:29:02 PDT)
Re: Comparative MD
Thomas Cheatham
(Fri Jul 11 2003 - 12:32:35 PDT)
AMBER question
David
(Fri Jul 11 2003 - 06:42:12 PDT)
RE: AMBER question
Marco Aurelio Correia Preto
(Thu Jul 10 2003 - 01:04:08 PDT)
RE: AMBER question
Marco Aurelio Correia Preto
(Fri Jul 11 2003 - 07:29:11 PDT)
Re: AMBER question
Carlos Simmerling
(Fri Jul 11 2003 - 08:24:30 PDT)
parallelisation
gold gunaseelan
(Fri Jul 11 2003 - 08:06:43 PDT)
delphi with amber 7
Noriaki Okimoto
(Fri Jul 11 2003 - 11:34:34 PDT)
Re: delphi with amber 7
Guanglei Cui
(Fri Jul 11 2003 - 13:44:09 PDT)
Re: delphi with amber 7
Nori
(Fri Jul 11 2003 - 19:15:30 PDT)
ntx in sander
dvira
(Sat Jul 12 2003 - 06:00:57 PDT)
Strange F.E.P. behavior
Peter Anderson
(Sun Jul 13 2003 - 06:15:49 PDT)
Bad atom type: f
Sukjoon Yoon
(Mon Jul 14 2003 - 08:28:58 PDT)
methylphosphonate
A. Hungie
(Mon Jul 14 2003 - 06:20:52 PDT)
AMBER: Re: methylphosphonate
David A. Case
(Mon Jul 14 2003 - 17:22:28 PDT)
Re: AMBER: Re: methylphosphonate
Piotr Cieplak
(Mon Jul 14 2003 - 17:43:14 PDT)
AMBER: Re: methylphosphonate
Thomas E. Cheatham, III
(Mon Jul 14 2003 - 19:46:06 PDT)
AMBER: variable not in namelist for Sander input
Haizhen Zhong
(Mon Jul 21 2003 - 07:16:40 PDT)
RE: AMBER: variable not in namelist for Sander input
Yong Duan
(Mon Jul 21 2003 - 07:49:07 PDT)
RE: AMBER: variable not in namelist for Sander input
Haizhen Zhong
(Mon Jul 21 2003 - 09:25:38 PDT)
Re: AMBER: variable not in namelist for Sander input
Angela Pantelogianis
(Mon Jul 21 2003 - 07:59:24 PDT)
Re: AMBER: variable not in namelist for Sander input
Vlad Cojocaru
(Mon Jul 21 2003 - 08:16:22 PDT)
Re: AMBER: variable not in namelist for Sander input
Teletchéa Stéphane
(Mon Jul 21 2003 - 09:35:46 PDT)
Re: AMBER: variable not in namelist for Sander input
Thomas E. Cheatham, III
(Mon Jul 21 2003 - 09:40:29 PDT)
Re: AMBER: variable not in namelist for Sander input
Haizhen Zhong
(Mon Jul 21 2003 - 11:08:39 PDT)
Re: AMBER: variable not in namelist for Sander input
Thomas E. Cheatham, III
(Mon Jul 21 2003 - 11:18:50 PDT)
RE: AMBER: variable not in namelist for Sander input
Yong Duan
(Mon Jul 21 2003 - 11:51:30 PDT)
AMBER: Questions about mm_pbsa and alanine scanning
Haizhen Zhong
(Tue Jul 15 2003 - 13:34:32 PDT)
Re: AMBER: Questions about mm_pbsa and alanine scanning
Natasja Brooijmans
(Tue Jul 15 2003 - 13:42:40 PDT)
Re: AMBER: Questions about mm_pbsa and alanine scanning
Haizhen Zhong
(Tue Jul 15 2003 - 14:01:47 PDT)
Re: AMBER: Questions about mm_pbsa and alanine scanning
Haizhen Zhong
(Wed Jul 16 2003 - 06:04:30 PDT)
parallelisation
gold gunaseelan
(Mon Jul 14 2003 - 08:48:56 PDT)
Re: parallelisation
Carlos P. Sosa
(Mon Jul 14 2003 - 09:19:00 PDT)
Re: parallelisation
David A. Case
(Mon Jul 14 2003 - 15:24:34 PDT)
Sander_classic output: NAN
pantelo.okstate.edu
(Mon Jul 14 2003 - 09:07:19 PDT)
Re: Sander_classic output: NAN
David A. Case
(Mon Jul 14 2003 - 15:27:17 PDT)
big changes coming
caldwell.heimdal.compchem.ucsf.edu
(Mon Jul 14 2003 - 08:27:11 PDT)
mail reflector address is changing
David A. Case
(Mon Jul 14 2003 - 14:56:21 PDT)
Welcome to amber
Majordomo.scripps.edu
(Mon Jul 14 2003 - 15:12:03 PDT)
AMBER: question on LJ parameters for molecules
Ioana Cozmuta
(Mon Jul 14 2003 - 17:38:58 PDT)
RE: AMBER: question on LJ parameters for molecules
Yong Duan
(Mon Jul 14 2003 - 20:52:27 PDT)
Re: AMBER: Re: methylphosphonate
Piotr Cieplak
(Mon Jul 14 2003 - 22:01:59 PDT)
AMBER: Re: methylphosphonate
A. Hungie
(Tue Jul 15 2003 - 01:31:52 PDT)
AMBER: PMF
X. Tan
(Tue Jul 15 2003 - 10:02:47 PDT)
Re: AMBER: PMF
David Smith
(Wed Jul 16 2003 - 02:37:56 PDT)
AMBER: Coordinate resetting (SHAKE) cannot be accomplished
Anton B. Guliaev
(Tue Jul 15 2003 - 14:35:59 PDT)
Re: AMBER: Coordinate resetting (SHAKE) cannot be accomplished
David A. Case
(Tue Jul 15 2003 - 18:25:26 PDT)
Re: AMBER: Coordinate resetting (SHAKE) cannot be accomplished
Bill Ross
(Wed Jul 16 2003 - 12:46:44 PDT)
AMBER: neutral N- and C- termini !
Xavier Periole
(Wed Jul 16 2003 - 11:52:29 PDT)
Re: AMBER: neutral N- and C- termini !
David A. Case
(Thu Jul 17 2003 - 09:05:00 PDT)
AMBER: curves nomenclature
Sue Heavner
(Wed Jul 16 2003 - 12:34:13 PDT)
Re: AMBER: curves nomenclature
David A. Case
(Wed Jul 16 2003 - 15:29:01 PDT)
AMBER: N/C termini
Xavier Periole
(Wed Jul 16 2003 - 15:24:19 PDT)
AMBER: PMEMD and sander from AMBER6 performances
Teletchéa Stéphane
(Wed Jul 16 2003 - 16:37:34 PDT)
Re: AMBER: PMEMD and sander from AMBER6 performances
Robert Duke
(Wed Jul 16 2003 - 20:11:55 PDT)
AMBER: RADII in DELPHI
Obdulia Rabal
(Thu Jul 17 2003 - 01:58:57 PDT)
Re: AMBER: RADII in DELPHI
David A. Case
(Thu Jul 17 2003 - 09:03:29 PDT)
AMBER: FILE UNITIO.C
Obdulia Rabal
(Tue Jul 22 2003 - 11:15:48 PDT)
Re: AMBER: FILE UNITIO.C
David A. Case
(Tue Jul 22 2003 - 11:54:14 PDT)
RE: AMBER: FILE UNITIO.C
Obdulia Rabal
(Wed Jul 23 2003 - 00:51:22 PDT)
Re: AMBER: FILE UNITIO.C
David A. Case
(Wed Jul 23 2003 - 08:04:54 PDT)
AMBER: Big system in Gibbs
ENikitina
(Wed Jul 16 2003 - 23:01:23 PDT)
Re: AMBER: Big system in Gibbs
David A. Case
(Thu Jul 17 2003 - 09:00:57 PDT)
Re: AMBER: Big system in Gibbs
ENikitina
(Tue Jul 22 2003 - 08:40:07 PDT)
AMBER: question about quasih?
Lishan Yao
(Fri Jul 18 2003 - 15:15:32 PDT)
Re: AMBER: question about quasih?
Thomas E. Cheatham, III
(Fri Jul 18 2003 - 15:39:15 PDT)
AMBER: Fwd: Minimizing after solvation
Angela Pantelogianis
(Fri Jul 18 2003 - 15:34:30 PDT)
Re: AMBER: Fwd: Minimizing after solvation
David A. Case
(Sat Jul 19 2003 - 21:34:53 PDT)
Re: AMBER: Fwd: Minimizing after solvation
Angela Pantelogianis
(Mon Jul 21 2003 - 08:26:30 PDT)
Re: AMBER: Fwd: Minimizing after solvation
Dr. Yong Duan
(Mon Jul 21 2003 - 08:48:00 PDT)
Re: AMBER: Fwd: Minimizing after solvation
David A. Case
(Mon Jul 21 2003 - 08:50:35 PDT)
Returned mail: see transcript for details
Mail Delivery Subsystem
(Sun Jul 20 2003 - 12:22:37 PDT)
Returned mail: see transcript for details
Mail Delivery Subsystem
(Mon Jul 21 2003 - 03:31:44 PDT)
AMBER: dielectric in sander
Michele Lunelli
(Mon Jul 21 2003 - 08:36:19 PDT)
Re: AMBER: dielectric in sander
David A. Case
(Mon Jul 21 2003 - 08:52:57 PDT)
AMBER: Odd Problem with PMEMD
Chen, Ya
(Mon Jul 21 2003 - 20:35:23 PDT)
Re: AMBER: Odd Problem with PMEMD
Johannes Zuegg
(Mon Jul 21 2003 - 21:12:37 PDT)
Re: AMBER: Odd Problem with PMEMD
Robert Duke
(Tue Jul 22 2003 - 04:17:25 PDT)
AMBER: (no subject)
ENikitina
(Tue Jul 22 2003 - 08:53:56 PDT)
Re: AMBER: (no subject)
David A. Case
(Tue Jul 22 2003 - 09:30:00 PDT)
AMBER: Non-standard Residue
Ran Ye
(Tue Jul 22 2003 - 12:34:06 PDT)
Re: AMBER: Non-standard Residue
David A. Case
(Tue Jul 22 2003 - 14:06:50 PDT)
Re: AMBER: Non-standard Residue
Ran Ye
(Wed Jul 23 2003 - 09:08:03 PDT)
Re: AMBER: Non-standard Residue
David A. Case
(Wed Jul 23 2003 - 11:31:44 PDT)
AMBER: HB dynamics in water and Ion solvation free energies
Ioana Cozmuta
(Tue Jul 22 2003 - 15:09:41 PDT)
Re: AMBER: HB dynamics in water and Ion solvation free energies
David A. Case
(Tue Jul 22 2003 - 19:18:51 PDT)
AMBER: strange problem with a small system
GUILLERMINA L ESTIU
(Wed Jul 23 2003 - 10:22:34 PDT)
Re: AMBER: strange problem with a small system
David A. Case
(Wed Jul 23 2003 - 11:51:59 PDT)
Re: AMBER: strange problem with a small system
GUILLERMINA L ESTIU
(Wed Jul 23 2003 - 12:13:47 PDT)
Re: AMBER: strange problem with a small system
David A. Case
(Thu Jul 24 2003 - 21:51:04 PDT)
Re: AMBER: strange problem with a small system
GUILLERMINA L ESTIU
(Mon Jul 28 2003 - 09:00:55 PDT)
Re: AMBER: strange problem with a small system
David A. Case
(Mon Jul 28 2003 - 10:12:30 PDT)
AMBER: addition to: problem with a small system
GUILLERMINA L ESTIU
(Wed Jul 23 2003 - 11:36:03 PDT)
AMBER: /exe/teLeap does not exist
Mizuguchi Mineyuki
(Thu Jul 24 2003 - 00:23:55 PDT)
Re: AMBER: /exe/teLeap does not exist
David A. Case
(Thu Jul 24 2003 - 17:50:17 PDT)
AMBER: water box problem
Omar Wahab
(Thu Jul 24 2003 - 01:32:35 PDT)
Re: AMBER: water box problem
Carlos Simmerling
(Thu Jul 24 2003 - 04:36:29 PDT)
AMBER: (no subject)
Narang Manpreet Kaur
(Thu Jul 24 2003 - 04:57:36 PDT)
Re: AMBER: (no subject)
Holger Gohlke
(Thu Jul 24 2003 - 08:38:15 PDT)
Re: AMBER: (no subject)
Thomas E. Cheatham, III
(Thu Jul 24 2003 - 09:32:28 PDT)
Re: AMBER: (no subject)
Narang Manpreet Kaur
(Thu Jul 24 2003 - 21:36:54 PDT)
AMBER: question about ptraj?
Lishan Yao
(Thu Jul 24 2003 - 09:18:20 PDT)
Re: AMBER: question about ptraj?
Thomas E. Cheatham, III
(Thu Jul 24 2003 - 09:40:50 PDT)
Re: AMBER: question about ptraj?
rluo.uci.edu
(Thu Jul 24 2003 - 09:48:54 PDT)
AMBER: running AMBER on an IBM P690 cluster
Vlad Cojocaru
(Thu Jul 24 2003 - 10:46:30 PDT)
AMBER: TEMP is not reaching 300K
sd233.georgetown.edu
(Thu Jul 24 2003 - 10:06:49 PDT)
Re: AMBER: TEMP is not reaching 300K
Carlos Simmerling
(Thu Jul 24 2003 - 10:35:03 PDT)
Re: AMBER: TEMP is not reaching 300K
Vlad Cojocaru
(Thu Jul 24 2003 - 10:35:21 PDT)
Re: AMBER: TEMP is not reaching 300K
Michele Lunelli
(Fri Jul 25 2003 - 08:27:09 PDT)
AMBER: PMF calculation
Lishan Yao
(Thu Jul 24 2003 - 12:25:48 PDT)
Re: AMBER: PMF calculation
Carlos Simmerling
(Mon Jul 28 2003 - 08:09:45 PDT)
AMBER: MOPAC509mn test jobs on linux
takanori.kanazawa.pharma.novartis.com
(Thu Jul 24 2003 - 16:54:39 PDT)
AMBER: Dynamics and Simulated Annealing
Narang Manpreet Kaur
(Fri Jul 25 2003 - 06:03:52 PDT)
Re: AMBER: Dynamics and Simulated Annealing
Carlos Simmerling
(Fri Jul 25 2003 - 09:53:38 PDT)
Re: AMBER: Dynamics and Simulated Annealing
Teletchéa Stéphane
(Fri Jul 25 2003 - 09:57:53 PDT)
AMBER: Taisung Lee/San Diego/Accelrys is out of the office.
Taisung Lee
(Fri Jul 25 2003 - 10:02:29 PDT)
AMBER: monitor vdw along time
Ling Zhang
(Fri Jul 25 2003 - 10:48:26 PDT)
Re: AMBER: monitor vdw along time
Holger Gohlke
(Fri Jul 25 2003 - 11:56:28 PDT)
AMBER: DYNAMICS RUN
sd233.georgetown.edu
(Fri Jul 25 2003 - 10:47:44 PDT)
Re: AMBER: monitor vdw along time
Suse Broyde
(Fri Jul 25 2003 - 12:57:06 PDT)
AMBER: a note on problems with MPI and sander
David A. Case
(Sat Jul 26 2003 - 11:50:37 PDT)
AMBER: AMBER and NAMD
Vlad Cojocaru
(Sun Jul 27 2003 - 06:57:24 PDT)
Re: AMBER: AMBER and NAMD
Andreas Svrcek-Seiler
(Sun Jul 27 2003 - 09:10:10 PDT)
Re: AMBER: AMBER and NAMD
Vlad Cojocaru
(Sun Jul 27 2003 - 10:45:40 PDT)
AMBER: Impropers from Amber parm files to NAMD
Vlad Cojocaru
(Sun Jul 27 2003 - 10:56:47 PDT)
AMBER: please let me know if this is correct
Vlad Cojocaru
(Mon Jul 28 2003 - 06:58:55 PDT)
Re: AMBER: please let me know if this is correct
Andreas Svrcek-Seiler
(Mon Jul 28 2003 - 09:07:28 PDT)
Re: AMBER: please let me know if this is correct
David A. Case
(Mon Jul 28 2003 - 09:55:28 PDT)
AMBER: Question about quasih analysis
Lishan Yao
(Mon Jul 28 2003 - 07:04:26 PDT)
Re: AMBER: Question about quasih analysis
David A. Case
(Mon Jul 28 2003 - 09:16:13 PDT)
Re: AMBER: Question about quasih analysis
Lishan Yao
(Mon Jul 28 2003 - 10:30:26 PDT)
Re: AMBER: Question about quasih analysis
David A. Case
(Mon Jul 28 2003 - 11:37:20 PDT)
Re: AMBER: Question about quasih analysis
Lishan Yao
(Mon Jul 28 2003 - 13:24:19 PDT)
Re: AMBER: Question about quasih analysis
David A. Case
(Mon Jul 28 2003 - 14:40:48 PDT)
AMBER: ambpdb and residue number
Vlad Cojocaru
(Mon Jul 28 2003 - 12:47:26 PDT)
AMBER: H-O-H angle in TIP3P water model during minimization
Vlad Cojocaru
(Mon Jul 28 2003 - 17:42:10 PDT)
RE: AMBER: H-O-H angle in TIP3P water model during minimization
Yong Duan
(Mon Jul 28 2003 - 17:54:28 PDT)
AMBER: chemical potential
Petrodler.aol.com
(Mon Jul 28 2003 - 23:28:57 PDT)
Re: AMBER: chemical potential
David A. Case
(Tue Jul 29 2003 - 07:50:23 PDT)
Re: AMBER: chemical potential
Petrodler.aol.com
(Wed Jul 30 2003 - 00:50:05 PDT)
Re: AMBER: chemical potential
David A. Case
(Wed Jul 30 2003 - 09:31:34 PDT)
AMBER: dynamics of isolated system
Herbert Georg
(Tue Jul 29 2003 - 11:19:18 PDT)
Re: AMBER: dynamics of isolated system
Vlad Cojocaru
(Tue Jul 29 2003 - 11:50:52 PDT)
Re: AMBER: dynamics of isolated system
Herbert Georg
(Tue Jul 29 2003 - 12:05:45 PDT)
Re: AMBER: dynamics of isolated system
Dr. Yong Duan
(Tue Jul 29 2003 - 12:04:42 PDT)
Re: AMBER: dynamics of isolated system
Herbert Georg
(Tue Jul 29 2003 - 12:27:15 PDT)
Re: AMBER: dynamics of isolated system
Dr. Yong Duan
(Tue Jul 29 2003 - 13:16:35 PDT)
Re: AMBER: dynamics of isolated system
David A. Case
(Tue Jul 29 2003 - 17:35:03 PDT)
AMBER: combine prep files
Mi-Kyung Seo
(Tue Jul 29 2003 - 14:14:52 PDT)
Re: AMBER: combine prep files
David A. Case
(Tue Jul 29 2003 - 17:27:57 PDT)
AMBER: Ewald_Bomb
Susanna Monti
(Wed Jul 30 2003 - 06:37:40 PDT)
Re: AMBER: Ewald_Bomb
David A. Case
(Wed Jul 30 2003 - 09:30:13 PDT)
AMBER: Ewald problem
Shuang Ding
(Wed Jul 30 2003 - 09:08:55 PDT)
Re: AMBER: Ewald problem
David A. Case
(Wed Jul 30 2003 - 10:01:49 PDT)
Re: AMBER: Ewald problem
Shuang Ding
(Wed Jul 30 2003 - 10:28:31 PDT)
AMBER: (no subject)
Mi-Kyung Seo
(Wed Jul 30 2003 - 12:00:49 PDT)
Re: AMBER: (no subject)
Junmei Wang
(Wed Jul 30 2003 - 12:34:54 PDT)
AMBER: compile problem
Shuang Ding
(Wed Jul 30 2003 - 13:59:08 PDT)
Re: AMBER: compile problem
David A. Case
(Wed Jul 30 2003 - 14:56:58 PDT)
Re: AMBER: compile problem
Scott Brozell
(Wed Jul 30 2003 - 14:58:55 PDT)
AMBER:
Aki Hoji
(Wed Jul 30 2003 - 14:19:02 PDT)
AMBER: frequency analysis
Lishan Yao
(Wed Jul 30 2003 - 14:43:16 PDT)
Re: AMBER: frequency analysis
Piotr Cieplak
(Wed Jul 30 2003 - 14:49:08 PDT)
RE: AMBER: frequency analysis
Yong Duan
(Wed Jul 30 2003 - 16:04:00 PDT)
AMBER: question about ptraj
Ioana Cozmuta
(Wed Jul 30 2003 - 15:07:21 PDT)
Re: AMBER: question about ptraj
Thomas E. Cheatham, III
(Wed Jul 30 2003 - 15:38:52 PDT)
AMBER: parallelisation
gold gunaseelan
(Thu Jul 31 2003 - 05:42:25 PDT)
AMBER: parallelisation
gold gunaseelan
(Thu Jul 31 2003 - 05:42:32 PDT)
AMBER: Running Amber on MacOSX(XDarwin)
Aki Hoji
(Thu Jul 31 2003 - 07:10:16 PDT)
AMBER: add
Ran Ye
(Thu Jul 31 2003 - 13:08:30 PDT)
Re: AMBER: add
Scott Brozell
(Thu Jul 31 2003 - 14:51:46 PDT)
Re: AMBER: add
Ran Ye
(Thu Jul 31 2003 - 15:03:43 PDT)
Re: AMBER: add
Scott Brozell
(Thu Jul 31 2003 - 16:45:54 PDT)
AMBER: chage WATBOX216
Ioana Cozmuta
(Thu Jul 31 2003 - 14:10:44 PDT)
Last message date
:
Fri Aug 01 2003 - 00:53:01 PDT
Archived on
: Fri Dec 20 2024 - 05:53:21 PST
267 messages
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