Amber Archive May 2002: by author

A. Hungie
- compilation for Hitachi SR8000 (Sun May 26 2002 - 10:25:17 PDT)
- PME & cutoff (Sat May 25 2002 - 06:12:48 PDT)
- Re: NMR refinement (Thu May 16 2002 - 08:02:17 PDT)
Albert Codony
- Thanks to all (Sat May 04 2002 - 08:38:12 PDT)
Andreas Svrcek-Seiler
- Re: help: nmode compile question!!! (Wed May 15 2002 - 04:30:12 PDT)
- Re: topology file generation (Mon May 06 2002 - 05:11:54 PDT)
Antonio J. D�az Quintana
- Fwd: NPT-MD (Fri May 31 2002 - 02:17:55 PDT)
Arvid Soederhaell
- Re: SHAKE troubles (Fri May 31 2002 - 01:50:01 PDT)
- SHAKE troubles (Wed May 29 2002 - 03:07:17 PDT)
Asif Rahaman
- Problem with 2D Gibbs run (Wed May 22 2002 - 15:32:49 PDT)
- this is a test for amber reflector - please ignore (Wed May 22 2002 - 15:17:29 PDT)
Bill Ross
- Re: About the box info read error (Fri May 17 2002 - 13:33:51 PDT)
- Re: How can I get the correct residue number? (Thu May 02 2002 - 13:38:24 PDT)
- Re: How can I get the correct residue number? (Thu May 02 2002 - 13:26:45 PDT)
Carlos Simmerling
- Re: glucose (Tue May 28 2002 - 08:50:59 PDT)
- Re: topology file generation (Mon May 06 2002 - 05:27:06 PDT)
darden
- Re: PME & cutoff (Sun May 26 2002 - 10:03:30 PDT)
David Case
- Re: Fwd: NPT-MD (Fri May 31 2002 - 07:56:43 PDT)
- Re: Intel ifc Compiler (Fri May 31 2002 - 07:51:21 PDT)
- Re: TIP4P (Fri May 31 2002 - 07:44:19 PDT)
- Re: sander_classic, erratic on IBM (Thu May 30 2002 - 07:13:44 PDT)
- Re: Intel ifc Compiler (Thu May 30 2002 - 07:00:55 PDT)
- Re: helix analysis (fwd) (Thu May 23 2002 - 14:41:00 PDT)
- Re: charges (Thu May 23 2002 - 13:54:38 PDT)
- Re: ambpdb in AMBER7 (Wed May 22 2002 - 14:09:32 PDT)
- Protonate doesn-t recognize by pdb input file (Wed May 22 2002 - 09:20:20 PDT)
- Re: again about sander_classic Amber 6.0 (Wed May 22 2002 - 08:15:06 PDT)
- Re: Junmei et al. 1999 (Wed May 22 2002 - 08:05:23 PDT)
- Re: antechamber (Wed May 22 2002 - 08:03:50 PDT)
- Re: Anal in AMBER7 (Sun May 19 2002 - 18:44:38 PDT)
- Re: Energy problem during dynamics with amber 7 (Wed May 15 2002 - 10:29:55 PDT)
- Re: NMR refinement (Wed May 15 2002 - 10:09:27 PDT)
- Re: Topology file format in AMBER 7 (Tue May 14 2002 - 14:33:15 PDT)
- Re: "Unit 5 Error" with a Linux/MPICH Amber7 (Mon May 06 2002 - 09:18:24 PDT)
- Re: Amber7 nmode (Wed May 01 2002 - 10:55:07 PDT)
- Re: about ew_legal.h (Wed May 01 2002 - 09:10:36 PDT)
Dmitry Pavlov
- H-bond (Fri May 31 2002 - 01:01:42 PDT)
Donald Thomas
- xLeap problem (Wed May 29 2002 - 21:42:04 PDT)
Fabrice Yerly
- MPich error (Wed May 29 2002 - 05:46:29 PDT)
- Linux Parallel compilation Linux Mpich PGI (Mon May 27 2002 - 05:31:09 PDT)
Florence CASSET
- Energy problem during dynamics with amber 7 (Wed May 15 2002 - 02:48:23 PDT)
Giovanni Fossati
- Re: sander_classic, erratic on IBM (Thu May 30 2002 - 10:05:22 PDT)
- sander_classic, erratic on IBM (Wed May 29 2002 - 23:17:07 PDT)
Giulio Rastelli
- antechamber (Wed May 22 2002 - 03:56:25 PDT)
Jake Isaacs
- Re: still having ptraj problems (Wed May 22 2002 - 08:50:11 PDT)
- still having ptraj problems (Wed May 22 2002 - 08:19:06 PDT)
- ptraj problem (Tue May 21 2002 - 14:20:02 PDT)
- NMR refinement (Tue May 14 2002 - 12:16:37 PDT)
- Re: NTT=5? (Wed May 01 2002 - 12:47:09 PDT)
jeff dyason
- Charge export from Leap is rounded off (Sun May 26 2002 - 17:06:36 PDT)
Jianhui Wu
- igb=2,gbsa=1,antechamber,bad atom type (Fri May 17 2002 - 12:20:14 PDT)
- Sander, Setup for Parallel SMP Linux Cluster (Wed May 15 2002 - 12:02:27 PDT)
jim caldwell
- Re: compilation of sander on Alpha/Linux clusters (Fri May 24 2002 - 14:41:00 PDT)
- Re: TIP4P water with AMBER6 (Wed May 22 2002 - 13:25:00 PDT)
Joachim Reichelt
- Intel ifc Compiler (Thu May 30 2002 - 02:23:21 PDT)
Joe Fernandez
- TI using sander on cluster (Mon May 06 2002 - 07:52:50 PDT)
- TI integration (Sat May 04 2002 - 06:59:57 PDT)
Joffre Heredia
- Re: Sander, Setup for Parallel SMP Linux Cluster (Thu May 16 2002 - 11:01:16 PDT)
- Topology file format in AMBER 7 (Tue May 14 2002 - 14:14:55 PDT)
John Bushnell
- Re: xLeap problem (Wed May 29 2002 - 22:53:05 PDT)
Lepsa
- Re: SHAKE troubles (Wed May 29 2002 - 07:02:15 PDT)
- Fw: mm_pbsa (Fri May 24 2002 - 07:27:21 PDT)
- Re: Junmei et al. 1999 (Wed May 22 2002 - 01:58:41 PDT)
Lorenzo Gontrani
- This is a test for amber reflector - please ignore (Thu May 23 2002 - 01:34:38 PDT)
Marcela Madrid
- xleap (Tue May 28 2002 - 14:21:39 PDT)
- subdomain moving as a rigid unit during MD (Fri May 24 2002 - 08:59:40 PDT)
- charges (Thu May 23 2002 - 13:25:43 PDT)
- this is a test of the amber reflector. Please ignore. Marcela (Wed May 22 2002 - 06:59:24 PDT)
Mark Beardsell
- AMBER 7 - more problems with leap (Wed May 01 2002 - 05:17:46 PDT)
Mark Hsieh
- missing residues (Sun May 05 2002 - 00:15:31 PDT)
Masamichi Fujinami 4029
- question (Tue May 14 2002 - 22:49:03 PDT)
Matthew Lee
- ambpdb in AMBER7 (Wed May 22 2002 - 13:42:34 PDT)
Michael Sattler
- AMBER7 (Thu May 30 2002 - 05:59:11 PDT)
Michal Otyepka
- Re: Junmei et al. 1999 (Wed May 22 2002 - 00:57:11 PDT)
Natasja Brooijmans
- Re: parallel sander on T3E (Sat May 25 2002 - 08:44:34 PDT)
- vanadium (Sun May 19 2002 - 19:35:27 PDT)
Nikolai Smolin
- again about sander_classic Amber 6.0 (Wed May 22 2002 - 04:42:50 PDT)
- about sander_classic AMBER6.0 (Mon May 20 2002 - 06:08:14 PDT)
Noriaki Okimoto
- TIP4P water with AMBER6 (Wed May 22 2002 - 11:01:35 PDT)
Peter Gannett
- parallel sander on T3E (Sat May 25 2002 - 07:46:37 PDT)
Prabal Maiti
- helix analysis (fwd) (Thu May 23 2002 - 14:30:33 PDT)
- Re: ptraj problem (Tue May 21 2002 - 16:51:22 PDT)
- helix analysis (Mon May 20 2002 - 12:20:45 PDT)
Rebecca Perlow
- Comparing simulations using Amber 5 and Amber 6 (Thu May 30 2002 - 07:18:36 PDT)
Robert Duke
- Re: Intel ifc Compiler (Thu May 30 2002 - 06:13:59 PDT)
Salinthip Thipayang
- help/suggestions needed with PROFEC (Fri May 03 2002 - 08:03:47 PDT)
- Help/suggestions needed with PROFEC (Fri May 03 2002 - 07:40:41 PDT)
Sanjeev B.S.
- Re: topology file generation (Mon May 06 2002 - 05:24:30 PDT)
- topology file generation (Sun May 05 2002 - 22:36:36 PDT)
SEKIJIMA Masakazu
- Re: TIP4P (Fri May 31 2002 - 00:32:08 PDT)
- TIP4P (Thu May 30 2002 - 01:43:14 PDT)
Soonmin Jang
- Energy conservation in NVE simulation ? (Mon May 20 2002 - 22:42:40 PDT)
- Amber7 compilation on IBM sp3 machine (Tue Apr 30 2002 - 21:33:05 PDT)
Sophia Kondratova
- (no subject) (Tue May 21 2002 - 11:37:24 PDT)
- (no subject) (Mon May 06 2002 - 06:13:53 PDT)
SPEROLEEM_at_aol.com
- (no subject) (Thu May 30 2002 - 15:51:26 PDT)
St�phane Teletch�a
- Re: SHAKE troubles (Fri May 31 2002 - 02:45:48 PDT)
- Re: MPich error (Wed May 29 2002 - 07:00:44 PDT)
- Re: SHAKE troubles (Wed May 29 2002 - 03:50:12 PDT)
- Re: Protonate doesn-t recognize by pdb input file (Thu May 23 2002 - 05:23:31 PDT)
- Re: Protonate doesn-t recognize my pdb input file (Wed May 22 2002 - 04:41:08 PDT)
- Re: "Unit 5 Error" with a Linux/MPICH Amber7 (Mon May 06 2002 - 09:22:42 PDT)
Sue Heavner
- Amber7 nmode (Wed May 01 2002 - 10:23:19 PDT)
Ting Wang
- Re: Anal in AMBER7 (Tue May 21 2002 - 05:48:48 PDT)
Toshikazu Matsuoka
- Cyclodextrin (Tue May 28 2002 - 23:48:19 PDT)
Tru
- Re: Sander, Setup for Parallel SMP Linux Cluster (Wed May 15 2002 - 12:40:45 PDT)
Uwe Richter
- RESP charges for phosphorylated residues (Tue May 28 2002 - 09:05:05 PDT)
Vickie Tsui
- RE: automated rescoring of ligands (Tue May 14 2002 - 14:23:29 PDT)
Viktor Hornak
- Re: Linux Parallel compilation Linux Mpich PGI (Mon May 27 2002 - 07:56:24 PDT)
Vincent BOSQUIER
- Problems with parallel computing in Amber7 (Tue May 14 2002 - 07:28:10 PDT)
- RE: "Unit 5 Error" with a Linux/MPICH Amber7 (Mon May 06 2002 - 09:44:09 PDT)
- "Unit 5 Error" with a Linux/MPICH Amber7 (Mon May 06 2002 - 08:50:07 PDT)
- Compilation on RedHat-7.2 with MPICH (Thu May 02 2002 - 09:29:32 PDT)
- RE: Problems with AMBER7 and Multiple Processors on SGI servers (Thu May 02 2002 - 01:55:45 PDT)
Vlad Cojocaru
- CARNAL (Thu May 23 2002 - 03:35:29 PDT)
- crdgrow (Sat May 04 2002 - 13:06:32 PDT)
- new RNA residues (Thu May 02 2002 - 12:07:32 PDT)
William Wei
- RE: Mutations - Molecular Dynamics (Mon May 27 2002 - 08:21:04 PDT)
- Mutations - Molecular Dynamics (Thu May 16 2002 - 16:11:36 PDT)
- RE: Carnal BUG?? --- How can I get the correct residue number? (Thu May 02 2002 - 10:48:10 PDT)
- RE: Carnal BUG?? --- How can I get the correct residue number? (Thu May 02 2002 - 09:09:21 PDT)
- Carnal BUG?? (Wed May 01 2002 - 20:19:03 PDT)
X. Tan
- mm_pbsa (Mon May 20 2002 - 16:04:52 PDT)
Yong Duan
- Re: SHAKE troubles (Wed May 29 2002 - 05:33:14 PDT)
Yongjun Jiang
- Re: GROUP Specification - Error decoding variable (Thu May 30 2002 - 01:23:57 PDT)
yuann
- GROUP Specification - Error decoding variable (Thu May 30 2002 - 00:43:02 PDT)
- minimization to fix up hydrogen positions (Wed May 29 2002 - 00:33:23 PDT)
Yuguang Mu
- glucose (Tue May 28 2002 - 08:05:10 PDT)
- Re: Junmei et al. 1999 (Wed May 22 2002 - 02:30:29 PDT)

Amber Archive May 2002 by author