Amber Archive Apr 2002: by subject

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

Amber Archive Apr 2002 by subject