Amber Archive May 2002: by subject

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

Amber Archive May 2002 by subject