Amber Archive Apr 2002: by author

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

Amber Archive Apr 2002 by author