Amber Archive Feb 2001: By Thread

SUMMARY for GAMESS/GAUSSIAN MEP Francois Dupradeau (Wed Jan 31 2001 - 23:37:36 PST)
I'm upset ! Stephane (Thu Feb 01 2001 - 01:55:15 PST)
- Re: I'm upset ! Nelson Brito (Thu Feb 01 2001 - 02:51:49 PST)
  - Re: I'm upset ! samantha hughes (Thu Feb 01 2001 - 02:17:16 PST)
- NSCM in periodic simulations Peter Varnai (Thu Feb 01 2001 - 07:24:55 PST)
- Re: I'm upset ! Dow Hurst (Thu Feb 01 2001 - 07:40:12 PST)
- sense of justice Nelson Teixeira Brito (Thu Feb 01 2001 - 09:53:36 PST)
- Nonbonded Pair List Troy Bothwell (Fri Feb 02 2001 - 11:18:16 PST)
- how do I turn on the verbose option? Marcela Madrid (Fri Feb 02 2001 - 12:01:46 PST)
- error msg Eoin Galligan (Mon Feb 05 2001 - 04:44:59 PST)
- error msg Eoin Galligan (Mon Feb 05 2001 - 04:44:59 PST)
- parm96 Giulio Rastelli (Tue Feb 06 2001 - 09:18:25 PST)
- ptraj Troy Bothwell (Tue Feb 06 2001 - 10:36:20 PST)
- AMBER parameter for HCOO(-) and NCHCHNHC Yinghong Sheng (Tue Feb 06 2001 - 15:18:00 PST)
- not using SHAKE Eoin Galligan (Wed Feb 07 2001 - 05:27:24 PST)
  - Re: not using SHAKE Michael Cooney (Wed Feb 07 2001 - 08:32:51 PST)
  - Lone Pairs. Fred P. Arnold (Wed Feb 07 2001 - 14:19:32 PST)
    - RE: Lone Pairs. Bayly, Christopher (Thu Feb 08 2001 - 08:39:39 PST)
Bang for the Buck Robert Matthew Fesinmeyer (Fri Feb 09 2001 - 13:50:57 PST)
- Re: Bang for the Buck mite51 (Fri Feb 09 2001 - 14:33:44 PST)
- Re: Bang for the Buck David Konerding (Fri Feb 09 2001 - 14:54:13 PST)
  - Re: Bang for the Buck Jarrod Smith (Fri Feb 09 2001 - 18:55:10 PST)
- Re: Bang for the Buck David Pearlman (Fri Feb 09 2001 - 15:19:12 PST)
- Re: Bang for the Buck Bill Ross (Fri Feb 09 2001 - 15:51:42 PST)
  - Re: Bang for the Buck David Pearlman (Fri Feb 09 2001 - 17:16:42 PST)
- Re: Bang for the Buck Jarrod Smith (Fri Feb 09 2001 - 18:13:31 PST)
- Re: Bang for the Buck Carlos Simmerling (Fri Feb 09 2001 - 19:59:16 PST)
  - Re: Bang for the Buck R. M. Fesinmeyer (Sat Feb 10 2001 - 03:10:46 PST)
- Regarding MD dynamic group (Sat Feb 10 2001 - 01:29:42 PST)
  - Re: Regarding MD Andreas Svrcek-Seiler (Sun Feb 11 2001 - 23:26:12 PST)
  - Regarding the construction of gris in insightII dynamic group (Mon Feb 12 2001 - 01:43:19 PST)
  - batch mode Fernanda Camarinha (Mon Feb 12 2001 - 09:29:07 PST)
    - Re: batch mode Jake Isaacs (Mon Feb 12 2001 - 10:18:28 PST)
    - a few more questions Jake Isaacs (Mon Feb 12 2001 - 10:37:16 PST)
    - Gibbs Ann Hermone (Mon Feb 12 2001 - 12:17:51 PST)
- Re: Bang for the Buck Margaret Cheung (Sat Feb 10 2001 - 23:20:46 PST)
- (no subject) noor gaffoor (Sun Feb 11 2001 - 21:08:17 PST)
Re: Ionic solutions Bill Ross (Mon Feb 12 2001 - 14:52:07 PST)
- Re: Ionic solutions Elsa Sousa Henriques (Tue Feb 13 2001 - 10:01:08 PST)
- Re: Ionic solutions Thomas Cheatham (Tue Feb 13 2001 - 10:22:54 PST)
  - RE: Ionic solutions Yong Duan (Tue Feb 13 2001 - 12:49:58 PST)
- Re: Ionic solutions Elsa Sousa Henriques (Tue Feb 13 2001 - 13:56:18 PST)
- Re: Ionic solutions Mihaly Mezei (Tue Feb 20 2001 - 14:18:45 PST)
One article Zhiyong Zhang (Tue Feb 13 2001 - 03:46:42 PST)
DMSO ? Yuguang Mu (Tue Feb 13 2001 - 08:22:42 PST)
- (no subject) Christian Pilger (Tue Feb 13 2001 - 11:33:31 PST)
  - (no subject) Lynn Amon (Tue Feb 13 2001 - 11:39:20 PST)
generating parameters for a small molecule ligand Jake Isaacs (Tue Feb 13 2001 - 08:48:03 PST)
- Re: generating parameters for a small molecule ligand Simon Cross (Wed Feb 14 2001 - 04:40:15 PST)
Minor correction (I think) on RESP input Fred P. Arnold (Tue Feb 13 2001 - 09:23:22 PST)
Belly Atonms Mark Markson (Tue Feb 13 2001 - 12:52:53 PST)
Dual Origin vs dual Alfa Anton Guliaev (Tue Feb 13 2001 - 16:06:37 PST)
- Re: Dual Origin vs dual Alfa Nathalie Godbout (Wed Feb 14 2001 - 08:18:23 PST)
  - Athlon 1GHz (was: Dual Origin vs dual Alfa) Tru Huynh (Wed Feb 14 2001 - 09:29:53 PST)
    - Re: Athlon 1GHz (was: Dual Origin vs dual Alfa) R. M. Fesinmeyer (Wed Feb 14 2001 - 11:02:11 PST)
    - Re: Athlon 1GHz (was: Dual Origin vs dual Alfa) Nathalie Godbout (Wed Feb 14 2001 - 12:00:25 PST)
    - Re: Athlon 1GHz (was: Dual Origin vs dual Alfa) R. M. Fesinmeyer (Wed Feb 14 2001 - 12:16:51 PST)
    - REMD Michal Otyepka (Wed Feb 14 2001 - 11:30:06 PST)
  - (no subject) Yinghong Sheng (Wed Feb 14 2001 - 09:45:43 PST)
(no subject) robert (Tue Feb 13 2001 - 16:35:21 PST)
- Re: LES analysis Carlos Simmerling (Tue Feb 13 2001 - 10:39:47 PST)
- dynamic memory allocation Bill Ross (Tue Feb 13 2001 - 11:30:28 PST)
  - Re: dynamic memory allocation Chuck Schneider (Wed Feb 14 2001 - 08:20:02 PST)
  - Re: dynamic memory allocation Christian Pilger (Wed Feb 14 2001 - 08:24:47 PST)
  - Implicit solvent MD with small RNA's Andreas Svrcek-Seiler (Wed Feb 14 2001 - 08:52:56 PST)
  - Re: dynamic memory allocation Bill Ross (Wed Feb 14 2001 - 10:21:22 PST)
    - trajectory-problem Christian Pilger (Wed Feb 14 2001 - 17:14:25 PST)
    - Re: trajectory-problem Miyashita, Osamu (Thu Feb 15 2001 - 09:14:02 PST)
    - disk file larger than 2 GB Yuguang Mu (Wed Feb 14 2001 - 23:12:47 PST)
    - Re: disk file larger than 2 GB Mite51_at_hotmail.com (Wed Feb 14 2001 - 23:59:25 PST)
Amber Parameters Antonio Entrena Guadix (Wed Feb 14 2001 - 03:04:54 PST)
- Re: Amber Parameters Christian Pilger (Wed Feb 14 2001 - 05:05:55 PST)
- how to handle a metal ion Jake Isaacs (Wed Feb 14 2001 - 07:43:14 PST)
  - Re: how to handle a metal ion Mark Forster (Thu Feb 15 2001 - 02:11:24 PST)
RE: periodic box size Guanglei Cui (Fri Feb 16 2001 - 10:30:27 PST)
Re: periodic box size Jake Isaacs (Fri Feb 16 2001 - 10:54:25 PST)
- RE: periodic box size Guanglei Cui (Fri Feb 16 2001 - 11:48:50 PST)
- Re: periodic box size Bill Ross (Fri Feb 16 2001 - 12:35:36 PST)
- Re: periodic box size Michael Crowley (Sun Feb 18 2001 - 22:48:05 PST)
Compilation of Amber6 in linux machine A.Madhumalar (Sun Feb 18 2001 - 00:08:48 PST)
- RE: Compilation of Amber6 in linux machine Thomas A. Spraggins (Sun Feb 18 2001 - 11:06:14 PST)
- Re: Compilation of Amber6 in linux machine David Konerding (Mon Feb 19 2001 - 07:46:55 PST)
- GB protein simulation Guanglei Cui (Mon Feb 19 2001 - 08:58:23 PST)
- Nucleic acid notation within Toolchest Rebecca Ann Perlow (Mon Feb 19 2001 - 13:59:59 PST)
- AMBER on SUN Craig Marhefka (Tue Feb 20 2001 - 06:43:33 PST)
  - RE: AMBER on SUN Yong Duan (Tue Feb 20 2001 - 10:29:41 PST)
  - RE: AMBER on SUN Bill Ross (Tue Feb 20 2001 - 11:17:50 PST)
Roar Yanni Wang (Wed Feb 21 2001 - 01:34:47 PST)
Re: belly run Bill Ross (Wed Feb 21 2001 - 10:37:03 PST)
running Amber on dual processor machine HAllawi_at_TWT.com (Wed Feb 21 2001 - 11:24:07 PST)
(no subject) Michal Otyepka (Wed Feb 21 2001 - 12:23:01 PST)
- Re: your mail Krzysztof Murzyn (Thu Feb 22 2001 - 02:45:36 PST)
- modified aminoacids using Leap Giulio Rastelli (Thu Feb 22 2001 - 03:14:00 PST)
Fe4S4 cluster Agnes Hahn (Thu Feb 22 2001 - 08:06:09 PST)
Re: modified aminoacids using Leap Bill Ross (Thu Feb 22 2001 - 09:03:16 PST)
shake comparison Xiaoliang Qian (Fri Feb 23 2001 - 09:13:07 PST)
Can't run sander_classic with parallel machine Khatcharin Siriwong (Fri Feb 23 2001 - 09:31:16 PST)
- Re: Can't run sander_classic with parallel machine Miyashita, Osamu (Fri Feb 23 2001 - 09:58:47 PST)
- consult ZHANG RB (Sun Feb 25 2001 - 03:50:11 PST)
- consult ZHANG RB (Sun Feb 25 2001 - 03:50:47 PST)
- parm94.dat vs parm99.dat Andreas Svrcek-Seiler (Mon Feb 26 2001 - 00:24:00 PST)
- leap and SP2 nitrogen Mark Forster (Mon Feb 26 2001 - 04:07:27 PST)
  - Re: leap and SP2 nitrogen Andrew Gordon Purkiss (Mon Feb 26 2001 - 05:07:26 PST)
  - QM/MM in roar Yanni Wang (Mon Feb 26 2001 - 10:04:03 PST)
  - params - ADP, neutral ARG Heather A.Carlson (Mon Feb 26 2001 - 10:58:17 PST)
db4 with amber5.0 Daniel GENEST (Fri Feb 23 2001 - 09:44:56 PST)
RE: Linux 6.2 install problems Ross Walker (Mon Feb 26 2001 - 13:39:02 PST)
Re: Linux 6.2 install problems Bill Ross (Mon Feb 26 2001 - 14:01:24 PST)
- Re: Linux 6.2 install problems David Konerding (Mon Feb 26 2001 - 15:32:07 PST)
- MD without SHAKE Dayle Smith (Mon Feb 26 2001 - 17:06:33 PST)
Re: MD without SHAKE Bill Ross (Mon Feb 26 2001 - 17:51:25 PST)
- Re: MD without SHAKE jim caldwell (Tue Feb 27 2001 - 07:04:25 PST)
- Re: MD without SHAKE Bill Ross (Tue Feb 27 2001 - 08:40:48 PST)
  - Re: MD without SHAKE Troy Wymore (Wed Feb 28 2001 - 10:59:51 PST)
- Re: MD without SHAKE Bill Ross (Wed Feb 28 2001 - 11:25:50 PST)
porphyrin parameters Kristin Maher (Mon Feb 26 2001 - 22:28:43 PST)
- LEAP and crystal waters Michal Otyepka (Mon Feb 26 2001 - 23:35:42 PST)
Re: porphyrin parameters Bill Ross (Tue Feb 27 2001 - 00:50:34 PST)
Gibbs input Kiyean Nam (Tue Feb 27 2001 - 20:24:44 PST)
8-Oxo-G Eva Darian (Wed Feb 28 2001 - 10:00:18 PST)
Re: Sander parallel compilation David Case (Wed Feb 28 2001 - 10:27:40 PST)
- Re: Sander parallel compilation David Case (Wed Feb 28 2001 - 10:46:04 PST)
PBC box problems Michael Ford (Wed Feb 28 2001 - 14:34:36 PST)
Re: PBC box problems Bill Ross (Wed Feb 28 2001 - 15:50:16 PST)
Fluorescent dyes Troy Bothwell (Wed Feb 28 2001 - 20:01:47 PST)

Amber Archive Feb 2001 By Thread