Amber Archive Apr 2001: By Thread

FW: about Owfeg in Amber 6.0 Craig Marhefka (Mon Apr 02 2001 - 06:19:18 PDT)
pressure with polarizable potentials Pavel Jungwirth (Mon Apr 02 2001 - 07:21:26 PDT)
- (no subject) Michal Otyepka (Mon Apr 02 2001 - 02:33:38 PDT)
- about OWFEG nicolas baurin (Mon Apr 02 2001 - 02:36:11 PDT)
- about dials_and_windows thenmalar rathinavelan (Mon Apr 02 2001 - 05:13:41 PDT)
  - RE: about dials_and_windows Guanglei Cui (Mon Apr 02 2001 - 06:34:24 PDT)
  - terminal base pair opening 2 Peter Varnai (Mon Apr 02 2001 - 06:46:06 PDT)
  - setting random velocities Svetlana Nolde (Mon Apr 02 2001 - 09:17:01 PDT)
  - (no subject) Bill Ross (Mon Apr 02 2001 - 09:51:45 PDT)
- about dials_and_windows thenmalar rathinavelan (Mon Apr 02 2001 - 05:13:41 PDT)
- terminal base pair opening Peter Varnai (Mon Apr 02 2001 - 05:19:54 PDT)
  - RE: terminal base pair opening Guanglei Cui (Mon Apr 02 2001 - 06:27:19 PDT)
  - RE: terminal base pair opening Bill Ross (Mon Apr 02 2001 - 10:18:38 PDT)
  - Ca2+ parameters and how ? ... A. Ababou (Mon Apr 02 2001 - 12:46:27 PDT)
  - saving a trajectory as individual pdb files Jake Isaacs (Mon Apr 02 2001 - 14:42:38 PDT)
    - RE: saving a trajectory as individual pdb files Guanglei Cui (Mon Apr 02 2001 - 15:23:51 PDT)
    - Re: saving a trajectory as individual pdb files Jarrod Smith (Mon Apr 02 2001 - 15:39:15 PDT)
- Re: pressure with polarizable potentials jim caldwell (Mon Apr 02 2001 - 14:51:10 PDT)
Re: saving a trajectory as individual pdb files Bill Ross (Mon Apr 02 2001 - 15:29:07 PDT)
Re: Ca2+ parameters and how ? ... Bill Ross (Mon Apr 02 2001 - 15:54:54 PDT)
producing a post-ptraj prmtop R. M. Fesinmeyer (Tue Apr 03 2001 - 17:20:41 PDT)
- RE: producing a post-ptraj prmtop Guanglei Cui (Tue Apr 03 2001 - 18:13:27 PDT)
- Pairlist error Troy Bothwell (Tue Apr 03 2001 - 20:20:35 PDT)
  - Re: Pairlist error jim caldwell (Tue Apr 03 2001 - 21:44:54 PDT)
- Re: producing a post-ptraj prmtop Peter Varnai (Wed Apr 04 2001 - 01:44:26 PDT)
- OCCO in parm99 Peter Varnai (Wed Apr 04 2001 - 01:52:32 PDT)
- creating a restrt file from frames of mdcrd and mdvel Jake Isaacs (Wed Apr 04 2001 - 07:31:35 PDT)
- sander_classic: bellyrun with constraints nicolas baurin (Wed Apr 04 2001 - 11:13:21 PDT)
  - Re: sander_classic: bellyrun with constraints nicolas baurin (Thu Apr 05 2001 - 00:12:51 PDT)
  - structure verification Christian Pilger (Thu Apr 05 2001 - 06:22:29 PDT)
  - RDF figure txyang (Fri Apr 06 2001 - 00:19:20 PDT)
  - AMBER6/PME on Origin 2000 Didier Rognan (Fri Apr 06 2001 - 04:43:43 PDT)
  - AMBER 6 on PME Didier Rognan (Fri Apr 06 2001 - 09:41:19 PDT)
    - Re: AMBER 6 on PME Jarrod Smith (Fri Apr 06 2001 - 11:07:57 PDT)
- Following Coordinates Troy Bothwell (Wed Apr 04 2001 - 16:23:16 PDT)
  - Re: Following Coordinates Bill Ross (Wed Apr 04 2001 - 17:24:54 PDT)
  - Box info after minimization Troy Bothwell (Wed Apr 04 2001 - 20:38:58 PDT)
  - Blowup problem txyang (Thu Apr 05 2001 - 00:12:45 PDT)
Re: Pairlist error Bill Ross (Tue Apr 03 2001 - 21:23:29 PDT)
Re: opinions on supercomputer platforms Nathalie Godbout (Fri Apr 06 2001 - 12:57:37 PDT)
ask help Yang Tom (Sun Apr 08 2001 - 00:40:01 PDT)
GB and Ions Andreas Svrcek-Seiler (Mon Apr 09 2001 - 03:21:06 PDT)
sander compilers Andrew Petersen (Mon Apr 09 2001 - 07:21:55 PDT)
- Re: sander compilers David Konerding (Mon Apr 09 2001 - 09:13:23 PDT)
- internal variables in ptraj Therese Malliavin (Tue Apr 10 2001 - 01:29:44 PDT)
- TIP3P/SPC VdW radius artem (Tue Apr 10 2001 - 09:00:18 PDT)
  - Re: TIP3P/SPC VdW radius Thomas Huber (Tue Apr 10 2001 - 13:02:43 PDT)
    - Re: TIP3P/SPC VdW radius Jung-Hsing Lin (Tue Apr 10 2001 - 13:43:52 PDT)
    - Re: TIP3P/SPC VdW radius Mihaly Mezei (Tue Apr 10 2001 - 14:01:35 PDT)
    - water density and rdf calculations thenmalar rathinavelan (Wed Apr 11 2001 - 03:02:59 PDT)
    - N-terminal and C-terminal hydrogens Troy Bothwell (Thu Apr 12 2001 - 11:10:16 PDT)
    - Re: N-terminal and C-terminal hydrogens Michael Cooney (Thu Apr 12 2001 - 13:55:06 PDT)
    - odd display of ambpdb generated files Jake Isaacs (Fri Apr 13 2001 - 13:20:39 PDT)
    - RE: odd display of ambpdb generated files Troy Bothwell (Fri Apr 13 2001 - 17:02:26 PDT)
    - isotropic scaling of coordinates during MD Giulio Rastelli (Sat Apr 14 2001 - 04:35:48 PDT)
    - Compilation problem of AMBER6.0! Ireena Bagai (Mon Apr 16 2001 - 05:24:25 PDT)
    - Re: Compilation problem of AMBER6.0! Carlos Simmerling (Mon Apr 16 2001 - 07:01:06 PDT)
    - Re: Compilation problem of AMBER6.0! Stephane (Tue Apr 17 2001 - 02:46:44 PDT)
    - Re: odd display of ambpdb generated files Elsa Sousa Henriques (Mon Apr 16 2001 - 10:49:03 PDT)
    - Windows version of AMBER? Stan (Mon Apr 16 2001 - 23:59:44 PDT)
    - RE: Windows version of AMBER? Ostlund, Neil S. (Tue Apr 17 2001 - 10:04:04 PDT)
    - Re: odd display of ambpdb generated files Richard W Dixon (Tue Apr 17 2001 - 06:26:45 PDT)
    - Re: odd display of ambpdb generated files Mark Forster (Tue Apr 17 2001 - 08:58:49 PDT)
    - Re: odd display of ambpdb generated files David Case (Tue Apr 17 2001 - 09:27:19 PDT)
    - atom types for xleap Marcela Madrid (Tue Apr 17 2001 - 09:08:59 PDT)
    - Re: odd display of ambpdb generated files Bill Ross (Tue Apr 17 2001 - 08:42:26 PDT)
    - Re: odd display of ambpdb generated files Michael Cooney (Tue Apr 17 2001 - 09:56:36 PDT)
    - Re: odd display of ambpdb generated files Bill Ross (Tue Apr 17 2001 - 11:20:18 PDT)
    - Re: odd display of ambpdb generated files Mihaly Mezei (Tue Apr 17 2001 - 12:18:03 PDT)
    - Re: odd display of ambpdb generated files David Case (Tue Apr 17 2001 - 12:33:16 PDT)
    - 1-4 nonbonded interactions David L. Bostick (Wed Apr 18 2001 - 11:37:12 PDT)
    - ISTAR2 and 64-bit sander Jarrod Smith (Wed Apr 18 2001 - 12:20:05 PDT)
    - Re: ISTAR2 and 64-bit sander jim caldwell (Wed Apr 18 2001 - 13:26:42 PDT)
    - Problem in adding solvent other than water ... Mausumi Mazumdar (Wed Apr 18 2001 - 21:56:42 PDT)
    - Amber 6 on parallel SUN Christian Pilger (Thu Apr 19 2001 - 02:47:02 PDT)
    - Test run for gb_rna on AMBER6 (IBM SP3) Sanjeev B.S. (Thu Apr 19 2001 - 12:54:57 PDT)
    - Where to Start working in AMBER from? Ireena Bagai (Fri Apr 20 2001 - 06:07:23 PDT)
    - tleap but no xleap on IBM SP3 Sanjeev B.S. (Fri Apr 20 2001 - 07:44:04 PDT)
    - ptraj correlation command Troy Bothwell (Sat Apr 21 2001 - 07:23:40 PDT)
    - test run Sanjeev B.S. (Sat Apr 21 2001 - 14:24:25 PDT)
    - amber-request@cgl.ucsf.edu k. vengadesan (Sat Apr 21 2001 - 19:57:24 PDT)
    - Model(l)ing 2001 in Erlangen/Germany: Speaker list Harald Lanig (Mon Apr 23 2001 - 05:59:29 PDT)
    - problem with carnal on linux Riccardo Nifosi (Mon Apr 23 2001 - 08:03:40 PDT)
    - Problem, setting up AMBERHOME! Ireena Bagai (Tue Apr 24 2001 - 03:42:04 PDT)
    - RE: Problem, setting up AMBERHOME! Thomas A. Spraggins (Tue Apr 24 2001 - 05:23:48 PDT)
    - Re: Problem, setting up AMBERHOME! Andrea Bernini (Tue Apr 24 2001 - 07:08:08 PDT)
    - Re: Problem, setting up AMBERHOME! jim caldwell (Tue Apr 24 2001 - 08:04:42 PDT)
    - How to let IBELLY and NTR both on? Hai Long (Tue Apr 24 2001 - 09:10:49 PDT)
    - Re: How to let IBELLY and NTR both on? Svetlana Nolde (Wed Apr 25 2001 - 02:55:32 PDT)
    - special belly minimization Didier Rognan (Wed Apr 25 2001 - 03:40:51 PDT)
    - AMBER on LINUX Osvaldo Andrade Santos Filho (Wed Apr 25 2001 - 12:30:05 PDT)
    - Essential dynamics David Bevan (Thu Apr 26 2001 - 04:18:25 PDT)
    - create a parm.top file Pascal Bonnet (Tue Apr 24 2001 - 10:18:51 PDT)
    - Request. hparikh (Tue Apr 24 2001 - 14:12:52 PDT)
    - sander on SP3 Sanjeev B.S. (Tue Apr 24 2001 - 14:59:16 PDT)
    - Sander minimization kian kani (Tue Apr 24 2001 - 18:50:44 PDT)
    - Re: odd display of ambpdb generated files Bill Ross (Tue Apr 17 2001 - 12:22:19 PDT)
- minimization Andrew Aird (Tue Apr 10 2001 - 09:05:27 PDT)
- Delphi Calculations Guanglei Cui (Tue Apr 10 2001 - 12:15:01 PDT)
electrostatic point charge Olga Carvalho (Mon Apr 09 2001 - 07:45:19 PDT)
Re: odd display of ambpdb generated files Bill Ross (Fri Apr 13 2001 - 15:12:45 PDT)
Re: atom types for xleap Bill Ross (Tue Apr 17 2001 - 11:23:37 PDT)
Re: 1-4 nonbonded interactions Bill Ross (Wed Apr 18 2001 - 12:58:59 PDT)
Re: applying atom types Bill Ross (Fri Apr 27 2001 - 10:24:19 PDT)
about plevel in sander 6 Shixiang Yan (Fri Apr 27 2001 - 15:32:48 PDT)
AMBER6 on Alphas40 Sanjeev B.S. (Sat Apr 28 2001 - 01:06:22 PDT)
Re: AMBER6 on Alphas40 (fwd) Sanjeev B.S. (Mon Apr 30 2001 - 00:31:14 PDT)
- Re: AMBER6 on Alphas40 (fwd) Jarrod Smith (Mon Apr 30 2001 - 09:11:34 PDT)
- Re: AMBER6 on Alphas40 (fwd) Michael Crowley (Mon Apr 30 2001 - 09:35:36 PDT)
- Re: AMBER6 on Alphas40 (fwd) Thomas Cheatham (Mon Apr 30 2001 - 10:05:37 PDT)
sander crash / linux cluster C. Klein (Mon Apr 30 2001 - 08:06:58 PDT)

Amber Archive Apr 2001 By Thread