AMBER Archive (2002) - May 2002 By Author

129 messages sorted by: [ date ] [ thread ] [ subject ]
About this archive

Starting: Wed May 01 2002 - 00:15:05 CDT
Ending: Fri May 31 2002 - 09:56:43 CDT

A. Hungie
- compilation for Hitachi SR8000 (Sun May 26 2002 - 12:25:17 CDT)
- PME & cutoff (Sat May 25 2002 - 08:12:48 CDT)
- Re: NMR refinement (Thu May 16 2002 - 10:02:17 CDT)
Albert Codony
- Thanks to all (Sat May 04 2002 - 10:38:12 CDT)
Andreas Svrcek-Seiler
- Re: help: nmode compile question!!! (Wed May 15 2002 - 06:30:12 CDT)
- Re: topology file generation (Mon May 06 2002 - 07:11:54 CDT)
Antonio J. Díaz Quintana
- Fwd: NPT-MD (Fri May 31 2002 - 04:17:55 CDT)
Arvid Soederhaell
- Re: SHAKE troubles (Fri May 31 2002 - 03:50:01 CDT)
- SHAKE troubles (Wed May 29 2002 - 05:07:17 CDT)
Asif Rahaman
- Problem with 2D Gibbs run (Wed May 22 2002 - 17:32:49 CDT)
- this is a test for amber reflector - please ignore (Wed May 22 2002 - 17:17:29 CDT)
Bill Ross
- Re: About the box info read error (Fri May 17 2002 - 15:33:51 CDT)
- Re: How can I get the correct residue number? (Thu May 02 2002 - 15:38:24 CDT)
- Re: How can I get the correct residue number? (Thu May 02 2002 - 15:26:45 CDT)
- Re: IFBOX=0 error in amber7 (Wed May 01 2002 - 00:15:05 CDT)
Carlos Simmerling
- Re: glucose (Tue May 28 2002 - 10:50:59 CDT)
- Re: topology file generation (Mon May 06 2002 - 07:27:06 CDT)
darden
- Re: PME & cutoff (Sun May 26 2002 - 12:03:30 CDT)
David Case
- Re: Fwd: NPT-MD (Fri May 31 2002 - 09:56:43 CDT)
- Re: Intel ifc Compiler (Fri May 31 2002 - 09:51:21 CDT)
- Re: TIP4P (Fri May 31 2002 - 09:44:19 CDT)
- Re: sander_classic, erratic on IBM (Thu May 30 2002 - 09:13:44 CDT)
- Re: Intel ifc Compiler (Thu May 30 2002 - 09:00:55 CDT)
- Re: helix analysis (fwd) (Thu May 23 2002 - 16:41:00 CDT)
- Re: charges (Thu May 23 2002 - 15:54:38 CDT)
- Re: ambpdb in AMBER7 (Wed May 22 2002 - 16:09:32 CDT)
- Protonate doesn-t recognize by pdb input file (Wed May 22 2002 - 11:20:20 CDT)
- Re: again about sander_classic Amber 6.0 (Wed May 22 2002 - 10:15:06 CDT)
- Re: Junmei et al. 1999 (Wed May 22 2002 - 10:05:23 CDT)
- Re: antechamber (Wed May 22 2002 - 10:03:50 CDT)
- Re: Anal in AMBER7 (Sun May 19 2002 - 20:44:38 CDT)
- Re: Energy problem during dynamics with amber 7 (Wed May 15 2002 - 12:29:55 CDT)
- Re: NMR refinement (Wed May 15 2002 - 12:09:27 CDT)
- Re: Topology file format in AMBER 7 (Tue May 14 2002 - 16:33:15 CDT)
- Re: "Unit 5 Error" with a Linux/MPICH Amber7 (Mon May 06 2002 - 11:18:24 CDT)
- Re: Amber7 nmode (Wed May 01 2002 - 12:55:07 CDT)
- Re: about ew_legal.h (Wed May 01 2002 - 11:10:36 CDT)
Dmitry Pavlov
- H-bond (Fri May 31 2002 - 03:01:42 CDT)
Donald Thomas
- xLeap problem (Wed May 29 2002 - 23:42:04 CDT)
Fabrice Yerly
- MPich error (Wed May 29 2002 - 07:46:29 CDT)
- Linux Parallel compilation Linux Mpich PGI (Mon May 27 2002 - 07:31:09 CDT)
Florence CASSET
- Energy problem during dynamics with amber 7 (Wed May 15 2002 - 04:48:23 CDT)
Giovanni Fossati
- Re: sander_classic, erratic on IBM (Thu May 30 2002 - 12:05:22 CDT)
- sander_classic, erratic on IBM (Thu May 30 2002 - 01:17:07 CDT)
Giulio Rastelli
- antechamber (Wed May 22 2002 - 05:56:25 CDT)
Jake Isaacs
- Re: still having ptraj problems (Wed May 22 2002 - 10:50:11 CDT)
- still having ptraj problems (Wed May 22 2002 - 10:19:06 CDT)
- ptraj problem (Tue May 21 2002 - 16:20:02 CDT)
- NMR refinement (Tue May 14 2002 - 14:16:37 CDT)
- Re: NTT=5? (Wed May 01 2002 - 14:47:09 CDT)
jeff dyason
- Charge export from Leap is rounded off (Sun May 26 2002 - 19:06:36 CDT)
Jianhui Wu
- igb=2,gbsa=1,antechamber,bad atom type (Fri May 17 2002 - 14:20:14 CDT)
- Sander, Setup for Parallel SMP Linux Cluster (Wed May 15 2002 - 14:02:27 CDT)
jim caldwell
- Re: compilation of sander on Alpha/Linux clusters (Fri May 24 2002 - 16:41:00 CDT)
- Re: TIP4P water with AMBER6 (Wed May 22 2002 - 15:25:00 CDT)
Joachim Reichelt
- Intel ifc Compiler (Thu May 30 2002 - 04:23:21 CDT)
Joe Fernandez
- TI using sander on cluster (Mon May 06 2002 - 09:52:50 CDT)
- TI integration (Sat May 04 2002 - 08:59:57 CDT)
Joffre Heredia
- Re: Sander, Setup for Parallel SMP Linux Cluster (Thu May 16 2002 - 13:01:16 CDT)
- Topology file format in AMBER 7 (Tue May 14 2002 - 16:14:55 CDT)
John Bushnell
- Re: xLeap problem (Thu May 30 2002 - 00:53:05 CDT)
Lepsa
- Re: SHAKE troubles (Wed May 29 2002 - 09:02:15 CDT)
- Fw: mm_pbsa (Fri May 24 2002 - 09:27:21 CDT)
- Re: Junmei et al. 1999 (Wed May 22 2002 - 03:58:41 CDT)
Lorenzo Gontrani
- This is a test for amber reflector - please ignore (Thu May 23 2002 - 03:34:38 CDT)
Marcela Madrid
- xleap (Tue May 28 2002 - 16:21:39 CDT)
- subdomain moving as a rigid unit during MD (Fri May 24 2002 - 10:59:40 CDT)
- charges (Thu May 23 2002 - 15:25:43 CDT)
- this is a test of the amber reflector. Please ignore. Marcela (Wed May 22 2002 - 08:59:24 CDT)
Mark Beardsell
- AMBER 7 - more problems with leap (Wed May 01 2002 - 07:17:46 CDT)
Mark Hsieh
- missing residues (Sun May 05 2002 - 02:15:31 CDT)
Masamichi Fujinami 4029
- question (Wed May 15 2002 - 00:49:03 CDT)
Matthew Lee
- ambpdb in AMBER7 (Wed May 22 2002 - 15:42:34 CDT)
Michael Sattler
- AMBER7 (Thu May 30 2002 - 07:59:11 CDT)
Michal Otyepka
- Re: Junmei et al. 1999 (Wed May 22 2002 - 02:57:11 CDT)
Natasja Brooijmans
- Re: parallel sander on T3E (Sat May 25 2002 - 10:44:34 CDT)
- vanadium (Sun May 19 2002 - 21:35:27 CDT)
Nikolai Smolin
- again about sander_classic Amber 6.0 (Wed May 22 2002 - 06:42:50 CDT)
- about sander_classic AMBER6.0 (Mon May 20 2002 - 08:08:14 CDT)
Noriaki Okimoto
- TIP4P water with AMBER6 (Wed May 22 2002 - 13:01:35 CDT)
Peter Gannett
- parallel sander on T3E (Sat May 25 2002 - 09:46:37 CDT)
Prabal Maiti
- helix analysis (fwd) (Thu May 23 2002 - 16:30:33 CDT)
- Re: ptraj problem (Tue May 21 2002 - 18:51:22 CDT)
- helix analysis (Mon May 20 2002 - 14:20:45 CDT)
Rebecca Perlow
- Comparing simulations using Amber 5 and Amber 6 (Thu May 30 2002 - 09:18:36 CDT)
Robert Duke
- Re: Intel ifc Compiler (Thu May 30 2002 - 08:13:59 CDT)
Salinthip Thipayang
- help/suggestions needed with PROFEC (Fri May 03 2002 - 10:03:47 CDT)
- Help/suggestions needed with PROFEC (Fri May 03 2002 - 09:40:41 CDT)
Sanjeev B.S.
- Re: topology file generation (Mon May 06 2002 - 07:24:30 CDT)
- topology file generation (Mon May 06 2002 - 00:36:36 CDT)
SEKIJIMA Masakazu
- Re: TIP4P (Fri May 31 2002 - 02:32:08 CDT)
- TIP4P (Thu May 30 2002 - 03:43:14 CDT)
Soonmin Jang
- Energy conservation in NVE simulation ? (Tue May 21 2002 - 00:42:40 CDT)
Sophia Kondratova
- (no subject) (Tue May 21 2002 - 13:37:24 CDT)
- (no subject) (Mon May 06 2002 - 08:13:53 CDT)
SPEROLEEM_at_aol.com
- (no subject) (Thu May 30 2002 - 17:51:26 CDT)
Stéphane Teletchéa
- Re: SHAKE troubles (Fri May 31 2002 - 04:45:48 CDT)
- Re: MPich error (Wed May 29 2002 - 09:00:44 CDT)
- Re: SHAKE troubles (Wed May 29 2002 - 05:50:12 CDT)
- Re: Protonate doesn-t recognize by pdb input file (Thu May 23 2002 - 07:23:31 CDT)
- Re: Protonate doesn-t recognize my pdb input file (Wed May 22 2002 - 06:41:08 CDT)
- Re: "Unit 5 Error" with a Linux/MPICH Amber7 (Mon May 06 2002 - 11:22:42 CDT)
Sue Heavner
- Amber7 nmode (Wed May 01 2002 - 12:23:19 CDT)
Ting Wang
- Re: Anal in AMBER7 (Tue May 21 2002 - 07:48:48 CDT)
Toshikazu Matsuoka
- Cyclodextrin (Wed May 29 2002 - 01:48:19 CDT)
Tru
- Re: Sander, Setup for Parallel SMP Linux Cluster (Wed May 15 2002 - 14:40:45 CDT)
Uwe Richter
- RESP charges for phosphorylated residues (Tue May 28 2002 - 11:05:05 CDT)
Vickie Tsui
- RE: automated rescoring of ligands (Tue May 14 2002 - 16:23:29 CDT)
Viktor Hornak
- Re: Linux Parallel compilation Linux Mpich PGI (Mon May 27 2002 - 09:56:24 CDT)
Vincent BOSQUIER
- Problems with parallel computing in Amber7 (Tue May 14 2002 - 09:28:10 CDT)
- RE: "Unit 5 Error" with a Linux/MPICH Amber7 (Mon May 06 2002 - 11:44:09 CDT)
- "Unit 5 Error" with a Linux/MPICH Amber7 (Mon May 06 2002 - 10:50:07 CDT)
- Compilation on RedHat-7.2 with MPICH (Thu May 02 2002 - 11:29:32 CDT)
- RE: Problems with AMBER7 and Multiple Processors on SGI servers (Thu May 02 2002 - 03:55:45 CDT)
Vlad Cojocaru
- CARNAL (Thu May 23 2002 - 05:35:29 CDT)
- crdgrow (Sat May 04 2002 - 15:06:32 CDT)
- new RNA residues (Thu May 02 2002 - 14:07:32 CDT)
William Wei
- RE: Mutations - Molecular Dynamics (Mon May 27 2002 - 10:21:04 CDT)
- Mutations - Molecular Dynamics (Thu May 16 2002 - 18:11:36 CDT)
- RE: Carnal BUG?? --- How can I get the correct residue number? (Thu May 02 2002 - 12:48:10 CDT)
- RE: Carnal BUG?? --- How can I get the correct residue number? (Thu May 02 2002 - 11:09:21 CDT)
- Carnal BUG?? (Wed May 01 2002 - 22:19:03 CDT)
X. Tan
- mm_pbsa (Mon May 20 2002 - 18:04:52 CDT)
Yong Duan
- Re: SHAKE troubles (Wed May 29 2002 - 07:33:14 CDT)
Yongjun Jiang
- Re: GROUP Specification - Error decoding variable (Thu May 30 2002 - 03:23:57 CDT)
yuann
- GROUP Specification - Error decoding variable (Thu May 30 2002 - 02:43:02 CDT)
- minimization to fix up hydrogen positions (Wed May 29 2002 - 02:33:23 CDT)
Yuguang Mu
- glucose (Tue May 28 2002 - 10:05:10 CDT)
- Re: Junmei et al. 1999 (Wed May 22 2002 - 04:30:29 CDT)

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

129 messages sorted by: [ date ] [ thread ] [ subject ]
About this archive