AMBER Archive (2002) - Jul 2002 By Date

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237 messages sorted by: [ author ] [ thread ] [ subject ]
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Starting: Mon Jul 01 2002 - 11:28:51 CDT
Ending: Wed Jul 31 2002 - 20:50:27 CDT

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

Last message date: Tue Dec 31 2002 - 15:51:31 CST
Archived on: Thu May 05 2005 - 14:17:26 CDT

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