Amber Archive Nov 2001: By Thread

charge fitting Uwe Richter (Thu Nov 01 2001 - 04:36:35 PST)
query Monica (Thu Nov 01 2001 - 06:14:02 PST)
restraint Xin Hu (Thu Nov 01 2001 - 14:48:29 PST)
Re: restraint Bill Ross (Thu Nov 01 2001 - 15:04:13 PST)
equilibration Amesh Patel (Thu Nov 01 2001 - 21:09:57 PST)
New product creates custom e-mail lists! paopao1188_at_hotmail.com (Fri Nov 02 2001 - 07:10:35 PST)
query (fwd) Monica (Fri Nov 02 2001 - 20:56:30 PST)
help seema namboori (Sat Nov 03 2001 - 09:05:40 PST)
help seema namboori (Sat Nov 03 2001 - 09:06:29 PST)
- Re: help Elsa de Sousa Henriques (Mon Nov 05 2001 - 09:42:39 PST)
- MD in vacuo Lepsa (Mon Nov 05 2001 - 10:52:08 PST)
  - Re: MD in vacuo Carlos Simmerling (Mon Nov 05 2001 - 12:27:23 PST)
  - New product creates custom e-mail lists! paopao1188_at_hotmail.com (Tue Nov 06 2001 - 04:18:24 PST)
  - Parameters for DMSO solvent Salinthip Thipayang (Tue Nov 06 2001 - 10:26:48 PST)
  - Gaussian 98 to RESP Sophia Kondratova (Tue Nov 06 2001 - 11:04:59 PST)
  - PARMSCAN Michal Otyepka (Tue Nov 06 2001 - 12:59:42 PST)
  - AMBER Compile Question C. Singer (Tue Nov 06 2001 - 18:07:31 PST)
    - Re: AMBER Compile Question David Case (Tue Nov 06 2001 - 18:22:34 PST)
    - how to pay Koji YOSHIDA (Tue Nov 06 2001 - 19:53:18 PST)
    - Question Irina Tikhonova (Thu Nov 08 2001 - 10:26:11 PST)
E is not constant in NVE Hungie Hungie (Mon Nov 05 2001 - 01:03:10 PST)
Prep.in Tikhonova Irina (Thu Nov 08 2001 - 13:44:49 PST)
Amber 6.0 on Intel IA-64 Server EPD-BLRSJP-PEG (Thu Nov 08 2001 - 19:08:51 PST)
RESP fit: ivary -1 ? nanook1000_at_web.de (Sat Nov 10 2001 - 03:47:39 PST)
Amber 6.0 on Linux Cluster C. Singer (Sat Nov 10 2001 - 09:34:27 PST)
- Re: Amber 6.0 on Linux Cluster Tru (Mon Nov 12 2001 - 02:17:19 PST)
- how to form ljp-files for PROFEC ? Irina Tikhonova (Tue Nov 13 2001 - 08:23:37 PST)
- AMBER 6 on Linux - help C. Singer (Tue Nov 13 2001 - 09:26:26 PST)
- mm_pbsa on single structure Raik Grunberg (Wed Nov 14 2001 - 06:45:38 PST)
- parameters for 5'-phosphate GUA Linjing Yang (Wed Nov 14 2001 - 12:22:47 PST)
- An Amber question Fabio Schoen (Thu Nov 15 2001 - 00:11:06 PST)
- pyridoxal phosphate parameters Andrea Bernini (Thu Nov 15 2001 - 01:43:33 PST)
- RMS matrix with CARNAL Margit Mollhoff (Fri Nov 16 2001 - 11:09:22 PST)
- What do the exit codes mean? Andrew Hoofnagle (Fri Nov 16 2001 - 15:09:58 PST)
- fatal error during equilibration of solvated system Amesh Patel (Mon Nov 19 2001 - 06:31:39 PST)
- mm_pbsa wentaofu (Mon Nov 19 2001 - 15:32:14 PST)
  - Re: mm_pbsa Wei Wang (Mon Nov 19 2001 - 17:27:10 PST)
opinion about buying linux clusters. Margaret Cheung (Sat Nov 10 2001 - 12:00:46 PST)
PME model Jerry wu (Sat Nov 10 2001 - 23:01:40 PST)
GIBBS on Cray Alexander Issanin (Mon Nov 19 2001 - 23:24:31 PST)
DNA force field Marcela Madrid (Tue Nov 20 2001 - 13:57:59 PST)
supercritical water Jerry wu (Tue Nov 20 2001 - 18:28:46 PST)
RMS calculations Nikolai Smolin (Wed Nov 21 2001 - 05:34:54 PST)
- Re: RMS calculations Pascal Bonnet (Wed Nov 21 2001 - 15:16:47 PST)
  - Constraining backbone dihedrals Eva Darian (Wed Nov 28 2001 - 10:14:38 PST)
- solvatebox Jerry wu (Wed Nov 21 2001 - 21:40:24 PST)
Linux 2.2.19 Compil. Amber 4.1 with gcc 2.95.4 Fabrice YERLY (Wed Nov 21 2001 - 08:18:59 PST)
- Re: Linux 2.2.19 Compil. Amber 4.1 with gcc 2.95.4 jim caldwell (Wed Nov 21 2001 - 09:02:48 PST)
Re: Gaussian to Amber David Case (Wed Nov 21 2001 - 10:39:43 PST)
- Re: Gaussian to Amber jim caldwell (Wed Nov 21 2001 - 11:47:05 PST)
  - Re: Gaussian to Amber Filip Ryjacek (Thu Nov 22 2001 - 02:03:06 PST)
  - no. of processors decrease Hungie Hungie (Thu Nov 22 2001 - 05:25:10 PST)
  - Amber & F90 Pricl Sabrina (Fri Nov 23 2001 - 05:22:20 PST)
    - Re: Amber & F90 Tru (Mon Nov 26 2001 - 03:28:22 PST)
    - parallel gibbs Sophia Kondratova (Mon Nov 26 2001 - 06:02:59 PST)
    - re: parallel gibbs Sophia Kondratova (Mon Nov 26 2001 - 11:54:00 PST)
    - TIP4P L. Renee Olano (Mon Nov 26 2001 - 06:59:53 PST)
  - Methane in water box FEP Sophia Kondratova (Fri Nov 23 2001 - 11:33:25 PST)
  - C8-methyl-guanine Sue Heavner (Sun Nov 25 2001 - 09:58:51 PST)
    - O6-methyl-guanine parameters Mahadevan Seetharaman (Mon Nov 26 2001 - 14:50:50 PST)
    - plotting MD results for DNA Jake Isaacs (Tue Nov 27 2001 - 09:56:00 PST)
    - RE: plotting MD results for DNA Guanglei Cui (Tue Nov 27 2001 - 10:11:09 PST)
    - (no subject) hathaimard pongkasem (Tue Nov 27 2001 - 17:40:33 PST)
    - benchmarks Giulio Rastelli (Wed Nov 28 2001 - 07:41:33 PST)
    - Not able to do parallel run Stéphane (Fri Nov 30 2001 - 07:36:37 PST)
    - General install questions Paul A Wilson (Wed Nov 28 2001 - 09:48:06 PST)
    - protonate database Jerry Greenberg (Wed Nov 28 2001 - 10:08:19 PST)

Amber Archive Nov 2001 By Thread