AMBER Archive (2002) - Apr 2002 By Date

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Starting: Mon Apr 01 2002 - 01:30:24 CST
Ending: Tue Apr 30 2002 - 23:43:31 CDT

Re: compiling error. Bill Ross (Mon Apr 01 2002 - 01:30:24 CST)
does PME function without charge neutralization? Ian R Bates (Tue Apr 02 2002 - 12:30:41 CST)
Re: does PME function without charge neutralization? darden (Tue Apr 02 2002 - 16:23:02 CST)
(no subject) deepak rangaswamy (Tue Apr 02 2002 - 22:52:55 CST)
input files Monica (Wed Apr 03 2002 - 07:00:42 CST)
Re: input files Carlos Simmerling (Wed Apr 03 2002 - 07:40:30 CST)
Initial Amber 7 benchmark timings David Case (Wed Apr 03 2002 - 20:33:14 CST)
Re: Initial Amber 7 benchmark timings Stéphane Teletchéa (Thu Apr 04 2002 - 03:36:23 CST)
amber7, PME and anisotrop press. Arvid Soederhaell (Thu Apr 04 2002 - 03:46:58 CST)
new residues Vlad Cojocaru (Thu Apr 04 2002 - 07:03:37 CST)
About the sander_classic calculation Alan Leo (Thu Apr 04 2002 - 15:32:34 CST)
convergence of MD simulations Sue Heavner (Thu Apr 04 2002 - 16:24:05 CST)
Re: About the sander_classic calculation John Bushnell (Thu Apr 04 2002 - 16:31:11 CST)
Re: convergence of MD simulations Andreas Svrcek-Seiler (Fri Apr 05 2002 - 04:12:11 CST)
Sander-Gibbs Kidley N J (Mon Apr 08 2002 - 10:34:49 CDT)
PDB file with CONECT record Prabal Maiti (Mon Apr 08 2002 - 14:06:21 CDT)
Re:PDB file with CONECT record Bill Ross (Mon Apr 08 2002 - 15:02:21 CDT)
Re: convergence of MD simulations darden (Mon Apr 08 2002 - 15:08:10 CDT)
PDB file with CONECT record (fwd) Prabal Maiti (Tue Apr 09 2002 - 20:04:50 CDT)
Re: PDB file with CONECT record (fwd) David Case (Tue Apr 09 2002 - 22:30:38 CDT)
Roar 2.1 with Amber7 Soonmin Jang (Tue Apr 09 2002 - 22:39:07 CDT)
RE: Roar 2.1 with Amber7 Ross Walker (Wed Apr 10 2002 - 00:48:43 CDT)
Re: PDB file with CONECT record Bill Ross (Wed Apr 10 2002 - 01:09:36 CDT)
Amber7 and VMD Soonmin Jang (Wed Apr 10 2002 - 03:40:37 CDT)
Re: Amber7 and VMD Thomas Cheatham (Wed Apr 10 2002 - 08:55:46 CDT)
(no subject) Mark Hsieh (Wed Apr 10 2002 - 15:31:50 CDT)
Matching Patterns Tali (Wed Apr 10 2002 - 16:57:59 CDT)
DNA structure get distorted Monica (Thu Apr 11 2002 - 03:00:48 CDT)
noesy intensity input in DNA Monica (Thu Apr 11 2002 - 03:03:50 CDT)
Follow distances during MD Francois Dupradeau (Thu Apr 11 2002 - 05:19:02 CDT)
Re: Follow distances during MD Raik Grunberg (Thu Apr 11 2002 - 07:49:16 CDT)
(no subject) Mark Beardsell (Thu Apr 11 2002 - 08:36:29 CDT)
Re: your mail Andreas Svrcek-Seiler (Thu Apr 11 2002 - 09:33:22 CDT)
Save from LEaP to a PDBQ file ? jeff dyason (Thu Apr 11 2002 - 22:50:32 CDT)
Re: Save from LEaP to a PDBQ file ? Bill Ross (Fri Apr 12 2002 - 01:16:28 CDT)
Re: PDB file with CONECT record Prabal Maiti (Fri Apr 12 2002 - 01:27:15 CDT)
Thanks FyD (Fri Apr 12 2002 - 02:04:53 CDT)
Re: PDB file with CONECT record Bill Ross (Fri Apr 12 2002 - 02:27:37 CDT)
Re: PDB file with CONECT record Miguel Angel (Fri Apr 12 2002 - 05:03:09 CDT)
order parameters? Arvid Soederhaell (Fri Apr 12 2002 - 07:55:33 CDT)
Re: DNA structure get distorted David Case (Fri Apr 12 2002 - 11:27:10 CDT)
Compiling Amber7 on a Beowulf Cluster - Compiling Error Peter Gannett (Fri Apr 12 2002 - 18:59:38 CDT)
Re: Compiling Amber7 on a Beowulf Cluster - Compiling Error David Case (Fri Apr 12 2002 - 19:37:01 CDT)
help ..problem about antechamber Yi ming Cheng (Sat Apr 13 2002 - 00:30:26 CDT)
Re: Carlos Simmerling (Sat Apr 13 2002 - 07:06:29 CDT)
Re: Compiling Amber7 on a Beowulf Cluster - Compiling Error Peter Gannett (Sat Apr 13 2002 - 08:59:29 CDT)
Vulgar Models Do Everything And Love It!!! telesales (Mon Apr 15 2002 - 19:03:45 CDT)
Re: Help! Sander run error: Bus error David Case (Tue Apr 16 2002 - 00:32:16 CDT)
Re: PDB file with CONECT record Prabal Maiti (Tue Apr 16 2002 - 00:48:00 CDT)
compiling amber 6.0 in a Sun starfire ENT10000 ramon kleber da rocha (Tue Apr 16 2002 - 14:08:54 CDT)
4 Medicinal and Computational Chemistry Candidates medicinal and Compuatational Chemistry Resumes and Jobs (Tue Apr 16 2002 - 16:55:48 CDT)
Recalculating energies John Finke (Tue Apr 16 2002 - 19:45:23 CDT)
RESP charges Vlad Cojocaru (Wed Apr 17 2002 - 05:53:27 CDT)
Re: Recalculating energies Carlos Simmerling (Wed Apr 17 2002 - 06:39:27 CDT)
Amber in a distributed environment Peter Gannett (Wed Apr 17 2002 - 07:07:56 CDT)
Re: RESP charges Lepsa (Wed Apr 17 2002 - 07:26:27 CDT)
RESP charges Vlad Cojocaru (Wed Apr 17 2002 - 07:36:43 CDT)
RE: RESP charges Ross Walker (Wed Apr 17 2002 - 08:21:37 CDT)
Re: Amber in a distributed environment Sudhakar Pamidighantam (Wed Apr 17 2002 - 08:55:34 CDT)
Re: RESP charges jim caldwell (Wed Apr 17 2002 - 09:22:04 CDT)
Re: Lepsa (Wed Apr 17 2002 - 09:38:47 CDT)
RE: RESP charges Ross Walker (Wed Apr 17 2002 - 10:28:58 CDT)
(no subject) Filip Ryjacek (Wed Apr 17 2002 - 11:01:48 CDT)
Minimization of pentane holding a plane of carbon atoms Hungie Hungie (Wed Apr 17 2002 - 12:32:28 CDT)
again...Minimization of pentane holding a plane of carbon atoms Hungie Hungie (Wed Apr 17 2002 - 13:03:23 CDT)
mm pbsa: generate snapshots Mark Hsieh (Wed Apr 17 2002 - 16:52:41 CDT)
Re: mm pbsa: generate snapshots Mathy Froeyen (Thu Apr 18 2002 - 02:19:35 CDT)
pentane minimization Hungie Hungie (Thu Apr 18 2002 - 04:15:33 CDT)
pentane minimization Hungie Hungie (Thu Apr 18 2002 - 04:16:46 CDT)
DNA shifts during MD; C.O.M. removing and ptraj doesn't help... Filip Ryjacek (Thu Apr 18 2002 - 10:17:12 CDT)
RESP cfrenz_at_aecom.yu.edu (Thu Apr 18 2002 - 10:55:55 CDT)
pentane minimization...again Hungie Hungie (Thu Apr 18 2002 - 11:30:15 CDT)
MPICH and AMBER 7 Mark Hsieh (Thu Apr 18 2002 - 18:12:58 CDT)
RESP-ivary Vlad Cojocaru (Fri Apr 19 2002 - 06:26:22 CDT)
To PROFEC users Salinthip Thipayang (Fri Apr 19 2002 - 09:13:11 CDT)
Re: RESP-ivary Qing Zhang (Fri Apr 19 2002 - 11:15:27 CDT)
RE: RESP-ivary John Bushnell (Fri Apr 19 2002 - 13:16:40 CDT)
amber7 compilation on a beowulf cluster Peter Gannett (Fri Apr 19 2002 - 14:59:56 CDT)
RE: amber7 compilation on a beowulf cluster John Bushnell (Fri Apr 19 2002 - 16:48:00 CDT)
RE: amber7 compilation on a beowulf cluster Bill Ross (Fri Apr 19 2002 - 17:26:19 CDT)
mm_pbsa for uhbd Mark Hsieh (Fri Apr 19 2002 - 20:56:18 CDT)
Re: amber7 compilation on a beowulf cluster David Case (Fri Apr 19 2002 - 20:56:50 CDT)
(no subject) deepak rangaswamy (Sat Apr 20 2002 - 00:22:54 CDT)
Re: amber7 compilation on a beowulf cluster Peter Gannett (Sat Apr 20 2002 - 07:14:01 CDT)
Re: your mail David Case (Sat Apr 20 2002 - 11:06:32 CDT)
dummy atoms. Yongjun Jiang (Sat Apr 20 2002 - 22:20:44 CDT)
leap bugfix Bill Ross (Sun Apr 21 2002 - 16:55:34 CDT)
RESP Vlad Cojocaru (Mon Apr 22 2002 - 05:17:17 CDT)
amber6 with parallel Khatcharin Siriwong (Mon Apr 22 2002 - 07:48:24 CDT)
Re: RESP jim caldwell (Mon Apr 22 2002 - 10:04:25 CDT)
a problem Vlad Cojocaru (Mon Apr 22 2002 - 10:56:48 CDT)
(no subject) SPEROLEEM_at_aol.com (Mon Apr 22 2002 - 13:47:28 CDT)
a more general question Vlad Cojocaru (Tue Apr 23 2002 - 09:20:34 CDT)
DME and Carnal with AMBER6 Katherine W. Abold (Tue Apr 23 2002 - 09:48:04 CDT)
RESP tutorial Michael G Cooney (Tue Apr 23 2002 - 12:15:51 CDT)
INTPRT and PMF Sophia Kondratova (Tue Apr 23 2002 - 13:23:36 CDT)
(no subject) Bill Ross (Tue Apr 23 2002 - 14:30:58 CDT)
parallel sander? Mark Hsieh (Tue Apr 23 2002 - 14:31:55 CDT)
RE: parallel sander? Mark Hsieh (Tue Apr 23 2002 - 14:35:44 CDT)
Re: INTPRT and PMF David Pearlman (Tue Apr 23 2002 - 15:05:12 CDT)
generating left-handed A-DNA Marcela Madrid (Tue Apr 23 2002 - 19:41:08 CDT)
Re: RESP tutorial David Case (Tue Apr 23 2002 - 19:41:49 CDT)
RESP on Deoxy-ADE Qing Zhang (Tue Apr 23 2002 - 20:34:23 CDT)
RESP on Deoxy-ADE Qing Zhang (Tue Apr 23 2002 - 20:34:23 CDT)
sander & prmtop file generated from antechamber input ? jeff dyason (Tue Apr 23 2002 - 22:33:58 CDT)
Re: sander & prmtop file generated from antechamber input ? David Case (Wed Apr 24 2002 - 10:59:14 CDT)
Re: generating left-handed A-DNA David Case (Wed Apr 24 2002 - 11:09:07 CDT)
RE: a problem John Bushnell (Wed Apr 24 2002 - 16:02:31 CDT)
Re: amber7 and tip5p David Case (Wed Apr 24 2002 - 16:04:05 CDT)
Number of WATBOX yuann (Thu Apr 25 2002 - 00:54:02 CDT)
Re: Number of WATBOX David Smith (Thu Apr 25 2002 - 08:25:40 CDT)
PMF calculations Sophia Kondratova (Thu Apr 25 2002 - 08:30:11 CDT)
Re: PMF calculations David Smith (Thu Apr 25 2002 - 10:13:23 CDT)
About Group in Carnal William Wei (Thu Apr 25 2002 - 10:50:08 CDT)
Re: PMF calculations David Pearlman (Thu Apr 25 2002 - 13:30:24 CDT)
Re: PMF calculations David Pearlman (Thu Apr 25 2002 - 13:36:41 CDT)
sander mpich hangs Mark Hsieh (Thu Apr 25 2002 - 17:01:26 CDT)
Problems with AMBER7 and Multiple Processors on SGI servers Vincent BOSQUIER (Fri Apr 26 2002 - 03:39:35 CDT)
Re: sander mpich hangs Stéphane Teletchéa (Fri Apr 26 2002 - 06:54:01 CDT)
Re: Problems with AMBER7 and Multiple Processors on SGI servers Carlos Simmerling (Fri Apr 26 2002 - 07:05:52 CDT)
Re: Problems with AMBER7 and Multiple Processors on SGI servers Ian bates (Fri Apr 26 2002 - 10:17:52 CDT)
RE: sander mpich hangs Mark Hsieh (Fri Apr 26 2002 - 14:08:48 CDT)
max_rstack requested Albert Codony (Sun Apr 28 2002 - 17:39:58 CDT)
parmjoin Vlad Cojocaru (Mon Apr 29 2002 - 11:53:01 CDT)
Re: parmjoin David Case (Mon Apr 29 2002 - 13:26:26 CDT)
Fail message:Segmantation fault and Bus error? William Wei (Mon Apr 29 2002 - 14:38:48 CDT)
NTT=5? Jung-Hsing Lin (Mon Apr 29 2002 - 18:10:30 CDT)
TIP4P parameters Ge Zhou (Mon Apr 29 2002 - 21:03:54 CDT)
Re: TIP4P parameters David Case (Tue Apr 30 2002 - 00:17:49 CDT)
Re: NTT=5? David Case (Tue Apr 30 2002 - 00:32:20 CDT)
install leap not working nepenthes_at_vplaces.net (Tue Apr 30 2002 - 02:52:07 CDT)
How to run the leap module param_at_ibab.ac.in (Tue Apr 30 2002 - 04:34:32 CDT)
RE: Problems with AMBER7 and Multiple Processors on SGI servers Vincent BOSQUIER (Tue Apr 30 2002 - 04:59:11 CDT)
Re: How to run the leap module Sanjeev B.S. (Tue Apr 30 2002 - 05:37:11 CDT)
Re: your mail deepak rangaswamy (Tue Apr 30 2002 - 07:06:06 CDT)
valine to alanine example Sophia Kondratova (Tue Apr 30 2002 - 10:23:21 CDT)
heterochirical peptides ? Yuguang Mu (Tue Apr 30 2002 - 10:43:39 CDT)
Re: Problems with AMBER7 and Multiple Processors on SGI servers David Case (Tue Apr 30 2002 - 11:02:30 CDT)
Re: NTT=5? Jung-Hsing Lin (Tue Apr 30 2002 - 11:10:46 CDT)
Re: How to run the leap module John Bushnell (Tue Apr 30 2002 - 12:46:35 CDT)
Re: NTT=5? David Case (Tue Apr 30 2002 - 13:16:04 CDT)
Re: heterochirical peptides ? David Case (Tue Apr 30 2002 - 13:21:38 CDT)
Re: install leap not working Bill Ross (Tue Apr 30 2002 - 14:21:01 CDT)
NaCl concentration Peter Gannett (Tue Apr 30 2002 - 14:34:38 CDT)
Re: NTT=5? Jung-Hsing Lin (Tue Apr 30 2002 - 15:36:45 CDT)
about ew_legal.h X. Tan (Tue Apr 30 2002 - 19:12:01 CDT)
Amber7 compilation on IBM sp3 machine Soonmin Jang (Tue Apr 30 2002 - 23:33:05 CDT)
IFBOX=0 error in amber7 Eva Darian (Tue Apr 30 2002 - 23:43:31 CDT)

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

148 messages sorted by: [ author ] [ thread ] [ subject ]
About this archive