Amber Archive Jul 2002 by thread
235 messages
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Starting
Mon Jul 01 2002 - 09:28:51 PDT,
Ending
Wed Jul 31 2002 - 13:54:12 PDT
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How to decrease the solvated system in Amber6?
Ling Zhang
(Mon Jul 01 2002 - 09:28:51 PDT)
Re: How to decrease the solvated system in Amber6?
David A. Case
(Tue Jul 02 2002 - 04:38:50 PDT)
Running TIP5P with PBC
Sarah Tschampel
(Wed Jul 03 2002 - 12:47:41 PDT)
Re: Running TIP5P with PBC
David Case
(Wed Jul 03 2002 - 12:49:28 PDT)
Re:Re: Running TIP5P with PBC
Sarah Tschampel
(Tue Jul 09 2002 - 10:32:32 PDT)
docking in xleap
Bill Ross
(Wed Jul 03 2002 - 21:25:50 PDT)
Origin300, Linux Cluster
Jianhui Wu
(Thu Jul 04 2002 - 09:04:07 PDT)
Re: Origin300, Linux Cluster
C. Klein
(Thu Jul 04 2002 - 10:41:31 PDT)
Re: Origin300, Linux Cluster
Stéphane Teletchéa
(Fri Jul 05 2002 - 01:48:03 PDT)
TEST
Sarangan Ravichandran
(Fri Jul 05 2002 - 05:43:37 PDT)
Distance dependent vaccum energy minimization in AMBER7
Sarangan Ravichandran
(Fri Jul 05 2002 - 08:29:40 PDT)
simulation management tools
Tom Bishop
(Fri Jul 05 2002 - 08:58:59 PDT)
Re: Origin300, Linux Cluster
Stéphane Teletchéa
(Mon Jul 08 2002 - 05:37:37 PDT)
create new atom problem on xleap
yuann
(Thu Jul 04 2002 - 13:04:01 PDT)
Re: create new atom problem on xleap
Bill Ross
(Thu Jul 04 2002 - 13:58:59 PDT)
Re: Origin300, Linux Cluster
Dow Hurst
(Mon Jul 08 2002 - 07:40:34 PDT)
heat up at constant pressure
Qing Zhang
(Mon Jul 08 2002 - 15:05:19 PDT)
Pictausch??
nicolescholiz1_at_web.de
(Mon Jul 08 2002 - 16:14:10 PDT)
eedmeth variable in AMBER7
Sarangan Ravichandran
(Tue Jul 09 2002 - 07:30:28 PDT)
Re: eedmeth variable in AMBER7
David A. Case
(Tue Jul 09 2002 - 08:31:59 PDT)
Amber 7 Installation
Rajesh Korde
(Tue Jul 09 2002 - 09:45:36 PDT)
Re: Amber 7 Installation
Sanjeev B.S.
(Tue Jul 09 2002 - 10:38:16 PDT)
Net Charge is Different In The Sander Output!!
Sarangan Ravichandran
(Tue Jul 09 2002 - 18:19:00 PDT)
Re: Net Charge is Different In The Sander Output!!
David A. Case
(Tue Jul 09 2002 - 20:53:47 PDT)
Re: Amber 7 Installation
Joffre Heredia
(Tue Jul 09 2002 - 23:17:45 PDT)
MAX_RSTACK
Jithesh
(Tue Jul 09 2002 - 23:24:42 PDT)
Re: MAX_RSTACK
Joffre Heredia
(Wed Jul 10 2002 - 10:12:15 PDT)
simulated annealing example
Snyder, James
(Wed Jul 10 2002 - 13:42:43 PDT)
Re: simulated annealing example
Qing Zhang
(Wed Jul 10 2002 - 19:59:20 PDT)
time scale to see the ion effect on DNA
A.Madhumalar
(Wed Jul 10 2002 - 23:40:52 PDT)
Announcement: Optimally Partitioned Electric Properties - OPEP
Chris Chipot
(Wed Jul 10 2002 - 01:06:48 PDT)
Problem getting sander started
Thomas Steinbrecher
(Wed Jul 10 2002 - 05:24:00 PDT)
Re: Problem getting sander started
Sanjeev B.S.
(Wed Jul 10 2002 - 05:26:39 PDT)
compiling MPICH
Thomas Steinbrecher
(Thu Jul 11 2002 - 05:46:12 PDT)
counter-ions in FEP
Christophe L M J Verlinde
(Thu Jul 11 2002 - 09:37:41 PDT)
Re: counter-ions in FEP
David A. Case
(Fri Jul 12 2002 - 09:00:11 PDT)
anal in AMBER7 gives inconsistent results with itself (fwd)
Prabal Maiti
(Fri Jul 12 2002 - 10:38:19 PDT)
This one with anal in amber6
Prabal Maiti
(Fri Jul 12 2002 - 11:09:39 PDT)
are there inconsistencies in anal?
David A. Case
(Fri Jul 12 2002 - 11:58:02 PDT)
LEaP gives "no sp2 improper torsion term" warnings
David A. Case
(Fri Jul 12 2002 - 13:25:35 PDT)
new problems compiling amber 7
ramon kleber da rocha
(Thu Jul 11 2002 - 10:30:07 PDT)
new problems compiling amber 7
ramon kleber da rocha
(Wed Jul 10 2002 - 06:11:52 PDT)
Re: new problems compiling amber 7
Sanjeev B.S.
(Wed Jul 10 2002 - 07:57:40 PDT)
Not able to image a snapshot.
Stéphane Teletchéa
(Wed Jul 10 2002 - 08:28:12 PDT)
Re: Not able to image a snapshot.
Stéphane Teletchéa
(Thu Jul 11 2002 - 01:24:48 PDT)
RDC restraints
Richard Stefl
(Mon Jul 08 2002 - 08:01:39 PDT)
problem in compiling amber7 in IBMSP3 cluster
A.Madhumalar
(Thu Jul 04 2002 - 09:29:50 PDT)
Re: problem in compiling amber7 in IBMSP3 cluster
Michael Crowley
(Fri Jul 05 2002 - 11:11:55 PDT)
Re: How to decrease the solvated system in Amber6?
Ling Zhang
(Tue Jul 02 2002 - 08:30:19 PDT)
torsion angle constrains
Marcela Madrid
(Tue Jul 02 2002 - 14:22:09 PDT)
parameter file for MgGTP
Holger Sondermann
(Tue Jul 02 2002 - 18:34:24 PDT)
BR parameters in AMBER
Esther Kellenberger
(Wed Jul 03 2002 - 07:24:26 PDT)
(no subject)
Narang Manpreet Kaur
(Wed Jul 03 2002 - 08:08:40 PDT)
Re: problems compiling Amber 7
ramon kleber da rocha
(Tue Jul 02 2002 - 07:42:05 PDT)
problems compiling Amber 7
ramon kleber da rocha
(Fri Jul 05 2002 - 10:52:45 PDT)
RE: problems compiling Amber 7
Thomas A. Spraggins
(Fri Jul 05 2002 - 11:42:32 PDT)
anal in AMBER7 gives inconsistent results with itself
Prabal Maiti
(Fri Jul 05 2002 - 16:00:55 PDT)
Re: anal in AMBER7 gives inconsistent results with itself
Prabal Maiti
(Sun Jul 07 2002 - 22:46:31 PDT)
installing MPICH for AMBER on Linux CLuster
root
(Mon Jul 08 2002 - 03:02:52 PDT)
Re: installing MPICH for AMBER on Linux CLuster
Walter Langel
(Mon Jul 08 2002 - 05:26:36 PDT)
RE: installing MPICH for AMBER on Linux CLuster
Thomas A. Spraggins
(Mon Jul 08 2002 - 06:15:23 PDT)
Re: installing MPICH for AMBER on Linux CLuster update
Thomas Steinbrecher
(Mon Jul 08 2002 - 06:46:48 PDT)
md equilibration in chloroform
Sophia Kondratova
(Mon Jul 08 2002 - 06:38:27 PDT)
Re: md equilibration in chloroform
David A. Case
(Mon Jul 08 2002 - 08:42:24 PDT)
RE: md equilibration in chloroform
Thomas.Fox_at_bc.boehringer-ingelheim.com
(Thu Jul 11 2002 - 10:51:47 PDT)
China International Biology Projects Fair
Genefax
(Thu Jul 11 2002 - 22:40:19 PDT)
looking for frcmod in AMBER Tutorials
yuann
(Fri Jul 12 2002 - 02:19:45 PDT)
Question about error message about "lastist" and "virtual box"
Masaki Tomimoto
(Fri Jul 12 2002 - 08:19:12 PDT)
Re: Question about error message about "lastist" and "virtual box"
David A. Case
(Fri Jul 12 2002 - 08:55:51 PDT)
Re: bug in .../sander/egb.f ?
Sanjeev B.S.
(Mon Jul 08 2002 - 12:08:09 PDT)
RE: Dual AMD motherboards
Contractor-SIMTECH
(Fri Jul 12 2002 - 08:33:54 PDT)
Re: Dual AMD motherboards
Pietro Amodeo
(Mon Jul 15 2002 - 01:36:34 PDT)
RE: Dual AMD motherboards
Ross Walker
(Tue Jul 16 2002 - 00:31:56 PDT)
Problem with LEAP
Miguel de Federico
(Tue Jul 16 2002 - 03:53:37 PDT)
Re: Problem with LEAP
David A. Case
(Tue Jul 16 2002 - 08:19:24 PDT)
antechamber created prep file--Problem in xleap
Sarangan Ravichandran
(Tue Jul 16 2002 - 06:54:45 PDT)
antechamber created prep file--Problem in xleap--additional info
Sarangan Ravichandran
(Tue Jul 16 2002 - 07:06:31 PDT)
Minimization in GB-SA-E-Spikes, LINMIN
Sarangan Ravichandran
(Tue Jul 16 2002 - 08:02:58 PDT)
Re: Minimization in GB-SA-E-Spikes, LINMIN
Andreas Svrcek-Seiler
(Tue Jul 16 2002 - 09:00:55 PDT)
Re: Minimization in GB-SA-E-Spikes, LINMIN
Sarangan Ravichandran
(Tue Jul 16 2002 - 10:11:27 PDT)
PME in gibbs module
X. Tan
(Tue Jul 16 2002 - 13:29:27 PDT)
water molecules diffuse during equilibration
Qing Zhang
(Tue Jul 16 2002 - 16:56:53 PDT)
Re: water molecules diffuse during equilibration
David A. Case
(Tue Jul 16 2002 - 18:31:12 PDT)
PTRAJ: radial distribution function
A. Hungie
(Wed Jul 17 2002 - 08:58:14 PDT)
Re: PTRAJ: radial distribution function
Thomas Cheatham
(Wed Jul 17 2002 - 14:47:24 PDT)
building general solvent boxes with leap
Xavier Deupi
(Wed Jul 17 2002 - 10:19:28 PDT)
Re: building general solvent boxes with leap
David A. Case
(Wed Jul 17 2002 - 13:14:40 PDT)
Re: building general solvent boxes with leap
Xavier Deupi
(Thu Jul 18 2002 - 16:16:17 PDT)
Re: The 216 water box
Mihaly Mezei
(Thu Jul 18 2002 - 15:48:12 PDT)
prmtop file question.
Carlos Andres Ramirez-Mondragon
(Wed Jul 17 2002 - 14:15:59 PDT)
Re: prmtop file question.
David A. Case
(Wed Jul 17 2002 - 17:08:28 PDT)
Re: building general solvent boxes with leap
Bill Ross
(Thu Jul 18 2002 - 12:18:57 PDT)
Defining Restraints in Sander
Asif Rahaman
(Thu Jul 18 2002 - 13:21:59 PDT)
Re: Defining Restraints in Sander
Carlos Simmerling
(Thu Jul 18 2002 - 14:29:22 PDT)
Re: Defining Restraints in Sander
John Bushnell
(Thu Jul 18 2002 - 17:44:16 PDT)
Re: building general solvent boxes with leap
Elsa de Sousa Henriques
(Thu Jul 18 2002 - 20:41:25 PDT)
about solvateOct
Nikolai Smolin
(Fri Jul 19 2002 - 01:22:20 PDT)
correction about solvateOct
Nikolai Smolin
(Fri Jul 19 2002 - 02:09:58 PDT)
Re: correction about solvateOct
Michael Jakusch
(Fri Jul 19 2002 - 02:49:48 PDT)
Re: correction about solvateOct
Michael Crowley
(Fri Jul 19 2002 - 09:37:10 PDT)
Questions about xleap and mm_pbsa]
Salinthip Thipayang
(Fri Jul 19 2002 - 10:49:08 PDT)
Re: Questions about xleap and mm_pbsa]
David A. Case
(Fri Jul 19 2002 - 11:59:24 PDT)
Questions about xleap and mm_pbsa(cont.)
Salinthip Thipayang
(Tue Jul 23 2002 - 07:46:20 PDT)
Re: Questions about xleap and mm_pbsa(cont.)
David A. Case
(Tue Jul 23 2002 - 10:18:44 PDT)
Questions about xleap and mm_pbsa (cont.2)
Salinthip Thipayang
(Tue Jul 23 2002 - 08:21:23 PDT)
problem compiling roar (mop7mm) on alpha
hagop demirdjian
(Tue Jul 23 2002 - 08:35:11 PDT)
Re: problem compiling roar (mop7mm) on alpha
Tru
(Tue Jul 23 2002 - 10:05:08 PDT)
Re: problem compiling roar (mop7mm) on alpha
Chuck Schneider
(Tue Jul 23 2002 - 10:09:37 PDT)
CA-OS parameter
Bimo Ario Tejo
(Tue Jul 23 2002 - 09:07:19 PDT)
"crd" file created with VMD
Soonmin Jang
(Tue Jul 23 2002 - 09:23:56 PDT)
AMBER7 and Movie
Y Fang
(Fri Jul 19 2002 - 14:03:22 PDT)
water box size
eric hu
(Fri Jul 19 2002 - 15:09:25 PDT)
Re: water box size
Shixiang Yan
(Fri Jul 19 2002 - 16:02:32 PDT)
Including explicit waters in GB dynamics
Kristina Furse
(Sat Jul 20 2002 - 17:30:43 PDT)
Re: water box size
eric hu
(Thu Jul 25 2002 - 12:21:24 PDT)
New Promotion Products at American Disc Corporation
Service
(Thu Jul 25 2002 - 12:56:47 PDT)
Water molecule numbering
Masaki Tomimoto
(Thu Jul 25 2002 - 15:28:25 PDT)
Re: Water molecule numbering
Shixiang Yan
(Thu Jul 25 2002 - 16:25:08 PDT)
RE: Water molecule numbering
Masaki Tomimoto
(Thu Jul 25 2002 - 17:04:01 PDT)
RE: Water molecule numbering
Shixiang Yan
(Thu Jul 25 2002 - 19:28:02 PDT)
RE: Water molecule numbering
Masaki Tomimoto
(Thu Jul 25 2002 - 17:32:19 PDT)
RE: AMBER7 and Movie
Snyder, James
(Fri Jul 19 2002 - 15:25:37 PDT)
Re: AMBER7 and Movie
Pascal Bonnet
(Mon Jul 22 2002 - 01:36:50 PDT)
Re: AMBER7 and Movie
Carlos Simmerling
(Mon Jul 22 2002 - 09:56:52 PDT)
Re: AMBER7 and Movie
Y Fang
(Mon Jul 22 2002 - 13:58:23 PDT)
Summary: make_crd_hp, mm_pbsa
Jianhui Wu
(Mon Jul 22 2002 - 14:45:32 PDT)
(no subject)
deepak rangaswamy
(Tue Jul 23 2002 - 00:01:41 PDT)
(no subject)
Carlos Simmerling
(Tue Jul 23 2002 - 04:48:48 PDT)
C sp2 connected to OS
Bimo Ario Tejo
(Mon Jul 22 2002 - 10:37:27 PDT)
Re: C sp2 connected to OS
Bimo Ario Tejo
(Tue Jul 23 2002 - 01:23:03 PDT)
problem with make_crd_hg, mm_pbsa
Jianhui Wu
(Mon Jul 22 2002 - 11:28:29 PDT)
electrostatics truncation in AMBER
Therese Malliavin
(Fri Jul 19 2002 - 06:21:59 PDT)
Re: electrostatics truncation in AMBER
David A. Case
(Fri Jul 19 2002 - 08:26:20 PDT)
RE: correction about solvateOct
William Wei
(Fri Jul 19 2002 - 08:18:53 PDT)
Re: Minimization in GB-SA-E-Spikes, LINMIN
David A. Case
(Wed Jul 17 2002 - 17:43:57 PDT)
GENERALIZED BORN model on a protein with Fe
Mahadevan Seetharaman
(Thu Jul 18 2002 - 07:55:01 PDT)
Re: GENERALIZED BORN model on a protein with Fe
David A. Case
(Thu Jul 18 2002 - 10:41:53 PDT)
Decrease the solvated system by removing the outside crystal water
Ling Zhang
(Mon Jul 15 2002 - 09:58:34 PDT)
Re: amber on sp3
David A. Case
(Wed Jul 17 2002 - 12:14:44 PDT)
Re: Anal in AMBER7
Ting Wang
(Mon Jul 22 2002 - 02:19:16 PDT)
Format in a trajectory files is suddenly changed
Masaki Tomimoto
(Mon Jul 22 2002 - 09:54:44 PDT)
Benchmark
Stéphane Teletchéa
(Mon Jul 22 2002 - 09:55:14 PDT)
Re: Questions about xleap ...
Bill Ross
(Tue Jul 23 2002 - 12:03:52 PDT)
Segmentation fault
Bimo Ario Tejo
(Tue Jul 23 2002 - 12:44:58 PDT)
Re: Segmentation fault
David A. Case
(Tue Jul 23 2002 - 15:44:02 PDT)
Re: Segmentation fault
Bimo Ario Tejo
(Wed Jul 24 2002 - 02:42:26 PDT)
Trajectory files
Miguel de Federico
(Wed Jul 24 2002 - 05:10:51 PDT)
Re: Trajectory files
Natasja Brooijmans
(Wed Jul 24 2002 - 07:34:28 PDT)
Re: Trajectory files
David A. Case
(Wed Jul 24 2002 - 08:15:55 PDT)
Re: Trajectory files
Laurent Chiche
(Wed Jul 24 2002 - 08:26:36 PDT)
CCL4 solvent box
Bimo Ario Tejo
(Wed Jul 24 2002 - 08:40:10 PDT)
Re: Trajectory files
Carlos Simmerling
(Wed Jul 24 2002 - 08:52:29 PDT)
am1-bcc charges, antechamber
Sophia Kondratova
(Wed Jul 24 2002 - 12:02:02 PDT)
Re: am1-bcc charges, antechamber
David A. Case
(Wed Jul 24 2002 - 12:58:25 PDT)
Re: am1-bcc charges, antechamber
M. L. Dodson
(Wed Jul 24 2002 - 13:24:23 PDT)
Re: am1-bcc charges, antechamber
Laurent Chiche
(Thu Jul 25 2002 - 02:17:58 PDT)
Re: am1-bcc charges, antechamber
Giulio Rastelli
(Thu Jul 25 2002 - 03:53:46 PDT)
Re: am1-bcc charges, antechamber
M. L. Dodson
(Thu Jul 25 2002 - 05:32:05 PDT)
creating a solvent box
Bimo Ario Tejo
(Thu Jul 25 2002 - 05:32:17 PDT)
Re: creating a solvent box
CUI, Guanglei
(Thu Jul 25 2002 - 06:33:01 PDT)
Re: creating a solvent box
Laurent Chiche
(Thu Jul 25 2002 - 07:46:47 PDT)
sulfonic group generated with antechamber
Michael Jakusch
(Thu Jul 25 2002 - 05:23:30 PDT)
Purine to Pyrimidine mutation
Bernd Wellenzohn
(Thu Jul 25 2002 - 05:29:27 PDT)
mol2 with antechamber
Giulio Rastelli
(Fri Jul 26 2002 - 03:57:22 PDT)
Re: mol2 with antechamber
David A. Case
(Fri Jul 26 2002 - 08:54:08 PDT)
increase lastist
Marcela Madrid
(Wed Jul 24 2002 - 13:41:45 PDT)
Re: increase lastist
David A. Case
(Wed Jul 24 2002 - 14:41:48 PDT)
Re: increase lastist
jim caldwell
(Wed Jul 24 2002 - 15:45:43 PDT)
Umbrella sampling in AMBER
Pratul Agarwal
(Wed Jul 24 2002 - 13:53:54 PDT)
Re: Umbrella sampling in AMBER
David A. Case
(Wed Jul 24 2002 - 14:44:35 PDT)
SS bond
Masaki Tomimoto
(Wed Jul 24 2002 - 12:04:21 PDT)
Re: SS bond
David A. Case
(Wed Jul 24 2002 - 13:00:44 PDT)
makeDIP_RST.dna
McAteer, Kathleen
(Wed Jul 24 2002 - 12:24:42 PDT)
Re: makeDIP_RST.dna
Vickie Tsui
(Wed Jul 24 2002 - 16:49:57 PDT)
Gibbs tutorial problem
yuann
(Wed Jul 24 2002 - 17:40:50 PDT)
Re: Gibbs tutorial problem
David A. Case
(Thu Jul 25 2002 - 12:03:17 PDT)
(no subject)
deepak rangaswamy
(Wed Jul 24 2002 - 20:57:14 PDT)
Re: trajectory problem?
David Case
(Wed Jul 24 2002 - 22:22:57 PDT)
Pressure probs in MD
suvendu lomash
(Thu Jul 25 2002 - 00:49:28 PDT)
Re: Pressure probs in MD
jim caldwell
(Thu Jul 25 2002 - 08:55:57 PDT)
"amber mail"
jim caldwell
(Thu Jul 25 2002 - 09:11:01 PDT)
acetyl groups on protein fragments
Elizabeth K. White
(Thu Jul 25 2002 - 11:55:04 PDT)
Re: acetyl groups on protein fragments
Laurent Chiche
(Fri Jul 26 2002 - 00:43:03 PDT)
Re: your mail
CUI, Guanglei
(Thu Jul 25 2002 - 06:30:30 PDT)
CCl4 solvent box
Bimo Ario Tejo
(Wed Jul 24 2002 - 12:55:04 PDT)
gaff and parm99
Pascal Bonnet
(Wed Jul 24 2002 - 06:11:36 PDT)
Re: gaff and parm99
David A. Case
(Wed Jul 24 2002 - 08:13:48 PDT)
Re: gaff and parm99
Pascal Bonnet
(Wed Jul 24 2002 - 08:51:30 PDT)
problemas running amber7 tests on a SP2 machine
ramon kleber da rocha
(Tue Jul 23 2002 - 13:33:28 PDT)
several questions
David Keller
(Tue Jul 23 2002 - 15:24:04 PDT)
Re: several questions
David A. Case
(Tue Jul 23 2002 - 17:08:10 PDT)
Re: several questions
Heather A Carlson
(Tue Jul 23 2002 - 20:17:35 PDT)
"crd" file created with VMD
Soonmin Jang
(Tue Jul 23 2002 - 17:47:04 PDT)
Re: "crd" file created with VMD
Carlos Simmerling
(Tue Jul 23 2002 - 18:42:15 PDT)
Re: "crd" file created with VMD
Carlos Simmerling
(Tue Jul 23 2002 - 20:02:50 PDT)
Re: "crd" file created with VMD
David Case
(Wed Jul 24 2002 - 00:04:02 PDT)
Re: "crd" file created with VMD
Soonmin Jang
(Wed Jul 24 2002 - 00:28:27 PDT)
RE: ptraj
Kristina Furse
(Fri Jul 26 2002 - 11:32:38 PDT)
RE: ptraj
Thomas Cheatham
(Fri Jul 26 2002 - 12:15:04 PDT)
ptraj
Joseph Nachman
(Fri Jul 26 2002 - 12:43:36 PDT)
Re: ptraj
David A. Case
(Fri Jul 26 2002 - 12:08:54 PDT)
RE: ptraj
Joseph Nachman
(Fri Jul 26 2002 - 13:14:53 PDT)
periodic box
Jiyoung Heo
(Fri Jul 26 2002 - 15:00:28 PDT)
Re: periodic box
Peter Gannett
(Sat Jul 27 2002 - 07:41:50 PDT)
sander crash
K.Seshadri
(Mon Jul 29 2002 - 01:40:57 PDT)
parallel jobs die with no error message from sander
lamon_at_lav.Boehringer-Ingelheim.com
(Mon Jul 29 2002 - 10:48:20 PDT)
Re: parallel jobs die with no error message from sander
Scott Brozell
(Mon Jul 29 2002 - 15:43:51 PDT)
Re: parallel jobs die with no error message from sander
Joffre Heredia
(Mon Jul 29 2002 - 21:06:33 PDT)
Re: parallel jobs die with no error message from sander
jim caldwell
(Mon Jul 29 2002 - 13:08:50 PDT)
Re: parallel jobs die with no error message from sander
Joffre Heredia
(Tue Jul 30 2002 - 10:46:37 PDT)
Error decoding variable
Rukman Hertadi
(Wed Jul 31 2002 - 03:52:02 PDT)
Re: Error decoding variable
Carlos Simmerling
(Wed Jul 31 2002 - 05:37:46 PDT)
Re: Error decoding variable
jim caldwell
(Wed Jul 31 2002 - 07:43:56 PDT)
Re: Error decoding variable
Carlos Simmerling
(Wed Jul 31 2002 - 08:41:04 PDT)
dielectric constant for partialy solvated MD
Miyashita, Osamu
(Wed Jul 31 2002 - 11:55:58 PDT)
Re: dielectric constant for partialy solvated MD
Carlos Simmerling
(Wed Jul 31 2002 - 13:54:12 PDT)
Energies/coordinate files from mm_pbsa problem
Peter Gannett
(Tue Jul 30 2002 - 11:25:29 PDT)
Re: periodic box
Thomas E. Cheatham, III
(Wed Jul 31 2002 - 07:26:49 PDT)
Re: amber-request.cgl.ucsf.edu
Mihaly Mezei
(Mon Jul 29 2002 - 11:42:22 PDT)
Re: SANDER documentation for nmropt
David A. Case
(Mon Jul 29 2002 - 17:27:52 PDT)
a water jumps
Masaki Tomimoto
(Mon Jul 29 2002 - 20:47:21 PDT)
Re: a water jumps
David Case
(Mon Jul 29 2002 - 22:13:16 PDT)
NON-BONDED INTERACTION
Rosalia Pascual
(Tue Jul 30 2002 - 07:41:49 PDT)
sander mpirun hangs with 4 CPU, but not with 2
Thomas Steinbrecher
(Tue Jul 30 2002 - 08:09:03 PDT)
RE: sander mpirun hangs with 4 CPU, but not with 2
lamon_at_lav.Boehringer-Ingelheim.com
(Tue Jul 30 2002 - 10:06:05 PDT)
AM1-BCC sensitivity to AM1 charges
Matthew Lee
(Tue Jul 30 2002 - 10:31:43 PDT)
RE: AM1-BCC sensitivity to AM1 charges
ajakalian_at_lav.Boehringer-Ingelheim.com
(Tue Jul 30 2002 - 11:28:25 PDT)
'triangular' bond or angle
Mahadevan Seetharaman
(Tue Jul 30 2002 - 13:53:20 PDT)
building ss DNA/RNA
Cozmuta
(Tue Jul 30 2002 - 14:47:45 PDT)
Re: building ss DNA/RNA
David A. Case
(Tue Jul 30 2002 - 15:29:19 PDT)
tests for amber
Cozmuta
(Tue Jul 30 2002 - 16:47:18 PDT)
Re: tests for amber
jim caldwell
(Tue Jul 30 2002 - 17:57:49 PDT)
structure
Cozmuta
(Tue Jul 30 2002 - 20:34:44 PDT)
Re: structure
David Case
(Tue Jul 30 2002 - 22:43:50 PDT)
AMBER Machine Questions
DTphonehome33_at_aol.com
(Tue Jul 30 2002 - 10:00:33 PDT)
Last message date
:
Wed Jul 31 2002 - 13:54:12 PDT
Archived on
: Wed Dec 25 2024 - 05:53:18 PST
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