Amber Archive Dec 2003: By Thread

Re: AMBER: Re: Nmode problem Wu Yingliang (Mon Dec 01 2003 - 05:34:40 PST)
- Re: AMBER: Re: Nmode problem Holger Gohlke (Mon Dec 01 2003 - 06:17:37 PST)
AMBER: NAD+ and NADH amber parameters Jiten (Mon Dec 01 2003 - 06:01:17 PST)
- Re: AMBER: NAD+ and NADH amber parameters David A. Case (Mon Dec 01 2003 - 08:35:56 PST)
  - Re: AMBER: NAD+ and NADH amber parameters Jiten (Sun Dec 07 2003 - 20:17:53 PST)
    - Re: AMBER: NAD+ and NADH amber parameters Ulf Ryde (Mon Dec 08 2003 - 03:05:25 PST)
    - AMBER: Temperature dependent properties of TIP4P and TIP5P rluo.uci.edu (Mon Dec 08 2003 - 09:00:21 PST)
- RE: AMBER: NAD+ and NADH amber parameters Ross Walker (Mon Dec 01 2003 - 09:07:40 PST)
- Re: AMBER: NAD+ and NADH amber parameters Ulf Ryde (Tue Dec 02 2003 - 05:20:26 PST)
- Re: AMBER: NAD+ and NADH amber parameters Ross Walker (Sun Dec 07 2003 - 22:22:56 PST)
AMBER: partial charge Li Ying (Mon Dec 01 2003 - 09:31:56 PST)
- Re: AMBER: partial charge David A. Case (Mon Dec 01 2003 - 22:46:04 PST)
  - Re: AMBER: partial charge Li Ying (Tue Dec 02 2003 - 11:19:22 PST)
    - Re: AMBER: partial charge David A. Case (Tue Dec 02 2003 - 12:06:02 PST)
    - Re: AMBER: partial charge Li Ying (Wed Dec 03 2003 - 10:08:14 PST)
AMBER: Compiling on Suse 9 Pro with ifc... Herbert Georg (Mon Dec 01 2003 - 11:17:15 PST)
- Re: AMBER: Compiling on Suse 9 Pro with ifc... David A. Case (Mon Dec 01 2003 - 12:49:33 PST)
  - Re: AMBER: Compiling on Suse 9 Pro with ifc... Herbert Georg (Wed Dec 03 2003 - 05:26:07 PST)
  - Re: AMBER: Compiling on Suse 9 Pro with ifc... Herbert Georg (Wed Dec 03 2003 - 06:04:30 PST)
    - Re: AMBER: Compiling on Suse 9 Pro with ifc... David A. Case (Thu Dec 04 2003 - 08:42:15 PST)
    - Re: Re: AMBER: Compiling on Suse 9 Pro with ifc... Ye Mei (Fri Dec 05 2003 - 20:44:49 PST)
  - Re: AMBER: Compiling on Suse 9 Pro with ifc... Herbert Georg (Wed Dec 03 2003 - 11:13:42 PST)
  - Re: AMBER: Compiling on Suse 9 Pro with ifc... Herbert Georg (Thu Dec 04 2003 - 04:56:55 PST)
AMBER: Sander / Anal Emmanuel Giudice (Mon Dec 01 2003 - 12:06:00 PST)
- Re: AMBER: Sander / Anal David A. Case (Mon Dec 01 2003 - 12:58:32 PST)
  - Re: AMBER: Sander / Anal Emmanuel Giudice (Fri Dec 05 2003 - 09:54:20 PST)
AMBER: basic questions Wei Wang (Mon Dec 01 2003 - 15:02:52 PST)
- Re: AMBER: basic questions David A. Case (Mon Dec 01 2003 - 22:37:59 PST)
- Re: AMBER: basic questions Wei Wang (Tue Dec 02 2003 - 08:23:13 PST)
  - Re: AMBER: basic questions David A. Case (Tue Dec 02 2003 - 08:37:42 PST)
AMBER: sander output Dave S Walker (Mon Dec 01 2003 - 18:04:31 PST)
- Re: AMBER: sander output Carlos Simmerling (Mon Dec 01 2003 - 18:37:06 PST)
  - Re: AMBER: sander output Dave S Walker (Thu Dec 04 2003 - 16:41:05 PST)
    - Re: AMBER: sander output David A. Case (Thu Dec 04 2003 - 16:51:03 PST)
Re: AMBER: Pseudouridine force field parameters Peter Gannett (Tue Dec 02 2003 - 04:45:01 PST)
AMBER: about H-bond definition for TIP3P Nikolai Smolin (Tue Dec 02 2003 - 05:44:19 PST)
AMBER: Ptraj-HBOND Taner E. Dirama (Tue Dec 02 2003 - 10:42:58 PST)
AMBER: Anal/MMPBSA Wu Yingliang (Tue Dec 02 2003 - 17:16:02 PST)
- Re: AMBER: Anal/MMPBSA David A. Case (Tue Dec 02 2003 - 17:29:46 PST)
  - AMBER: segmentation fault Do Anh Tuan (Tue Dec 02 2003 - 20:56:32 PST)
    - Re: AMBER: segmentation fault David A. Case (Wed Dec 03 2003 - 09:46:46 PST)
AMBER: GIBBS - PMFquestion Jiri Matousek (Wed Dec 03 2003 - 02:47:41 PST)
AMBER: how to calculate vibration frequency? A. Hungie (Wed Dec 03 2003 - 06:46:26 PST)
- Re: AMBER: how to calculate vibration frequency? David A. Case (Wed Dec 03 2003 - 08:59:41 PST)
Re: AMBER: missing of VdW Parameters for N3 wendy.cornell.pharma.novartis.com (Wed Dec 03 2003 - 07:18:23 PST)
AMBER: MM-PBSA question Giovanni (Wed Dec 03 2003 - 10:10:10 PST)
- Re: AMBER: MM-PBSA question Holger Gohlke (Wed Dec 03 2003 - 10:58:23 PST)
AMBER: Resp Esp charge Derive (RED v-1.0) release FyD (Wed Dec 03 2003 - 11:09:39 PST)
AMBER: Paramters for beta and gamma peptides Jagannadh B (Thu Dec 04 2003 - 04:34:43 PST)
AMBER: NO2-TYR arubin.unmc.edu (Thu Dec 04 2003 - 09:30:24 PST)
AMBER: Amber - compiler help Malone, Scott (Thu Dec 04 2003 - 14:11:53 PST)
- RE: AMBER: Amber - compiler help Chris Moth (Thu Dec 04 2003 - 14:45:10 PST)
- Re: AMBER: Amber - compiler help David A. Case (Thu Dec 04 2003 - 16:54:07 PST)
AMBER: initial structures Raghunadha Reddy Burri (Mon Dec 08 2003 - 07:21:28 PST)
- Re: AMBER: initial structures Carlos Simmerling (Mon Dec 08 2003 - 07:51:04 PST)
  - AMBER: Re: initial structures Raghunadha Reddy Burri (Mon Dec 08 2003 - 09:19:10 PST)
    - Re: AMBER: Re: initial structures David A. Case (Mon Dec 08 2003 - 09:30:57 PST)
AMBER: MD L Jin (Mon Dec 08 2003 - 09:45:01 PST)
- AMBER: gaff atom types for phosphor compouds astrid.maass (Tue Dec 09 2003 - 05:51:33 PST)
  - Re: AMBER: gaff atom types for phosphor compouds Junmei Wang (Tue Dec 09 2003 - 07:28:08 PST)
AMBER: Small problems L Jin (Mon Dec 08 2003 - 09:47:47 PST)
AMBER: Mg2+ parameters for RNA usage Vlad Cojocaru (Wed Dec 10 2003 - 05:38:59 PST)
- Re: AMBER: Mg2+ parameters for RNA usage Jiri Sponer (Wed Dec 10 2003 - 06:21:24 PST)
- Re: AMBER: Mg2+ parameters for RNA usage Pascal Auffinger (Wed Dec 10 2003 - 07:30:47 PST)
  - Re: AMBER: Mg2+ parameters for RNA usage Peter VARNAI (Wed Dec 10 2003 - 08:06:30 PST)
  - Re: AMBER: Mg2+ parameters for RNA usage Jiri Sponer (Wed Dec 10 2003 - 11:32:57 PST)
- Re: AMBER: Mg2+ parameters for RNA usage Bill Ross (Wed Dec 10 2003 - 10:07:49 PST)
AMBER: RESP charges Youyi Peng (Wed Dec 10 2003 - 06:34:58 PST)
- Re: AMBER: RESP charges David A. Case (Wed Dec 10 2003 - 08:31:38 PST)
  - Re: AMBER: RESP charges Youyi Peng (Wed Dec 10 2003 - 09:28:40 PST)
    - Re: AMBER: RESP charges Jiten (Wed Dec 10 2003 - 09:55:51 PST)
    - Re: AMBER: RESP charges Youyi Peng (Wed Dec 10 2003 - 12:57:56 PST)
    - Re: AMBER: RESP charges Junmei Wang (Wed Dec 10 2003 - 13:07:24 PST)
    - Re: AMBER: RESP charges Youyi Peng (Wed Dec 10 2003 - 14:50:46 PST)
    - Re: AMBER: RESP charges Joey Harriman (Wed Dec 10 2003 - 10:05:44 PST)
    - Re: AMBER: RESP charges David A. Case (Wed Dec 10 2003 - 10:28:00 PST)
    - Re: AMBER: RESP charges Junmei Wang (Wed Dec 10 2003 - 10:38:15 PST)
    - Re: AMBER: RESP charges Youyi Peng (Wed Dec 10 2003 - 14:48:05 PST)
    - Re: AMBER: RESP charges Junmei Wang (Wed Dec 10 2003 - 15:29:19 PST)
    - Re: AMBER: RESP charges Youyi Peng (Thu Dec 11 2003 - 08:41:45 PST)
    - Re: AMBER: RESP charges Junmei Wang (Thu Dec 11 2003 - 08:55:21 PST)
    - Re: AMBER: RESP charges Youyi Peng (Thu Dec 18 2003 - 07:20:43 PST)
    - Re: AMBER: RESP charges Junmei Wang (Thu Dec 18 2003 - 13:17:28 PST)
    - Re: AMBER: RESP charges Youyi Peng (Thu Dec 18 2003 - 15:31:51 PST)
    - Re: AMBER: RESP charges Junmei Wang (Thu Dec 18 2003 - 18:29:45 PST)
AMBER: About Temperature Regulation L Jin (Wed Dec 10 2003 - 07:09:00 PST)
- Re: AMBER: About Temperature Regulation David A. Case (Wed Dec 10 2003 - 08:30:24 PST)
  - Re: AMBER: About Temperature Regulation L Jin (Wed Dec 10 2003 - 09:06:25 PST)
AMBER: Antechamber & Ptraj/Rdparm L Jin (Wed Dec 10 2003 - 07:07:25 PST)
AMBER: Nitrated Tyr arubin.unmc.edu (Wed Dec 10 2003 - 08:36:45 PST)
AMBER: MOPAC from antechamber Beale, John (Wed Dec 10 2003 - 09:46:02 PST)
- Re: AMBER: MOPAC from antechamber Joey Harriman (Wed Dec 10 2003 - 10:08:13 PST)
Re: AMBER: Antechamber & Ptraj/Rdparm Bill Ross (Wed Dec 10 2003 - 10:17:37 PST)
- Re: AMBER: Antechamber & Ptraj/Rdparm L Jin (Fri Dec 12 2003 - 03:35:46 PST)
- Re: AMBER: Antechamber & Ptraj/Rdparm L Jin (Wed Dec 31 2003 - 03:44:00 PST)
  - Re: AMBER: Antechamber & Ptraj/Rdparm David A. Case (Wed Dec 31 2003 - 07:47:46 PST)
AMBER: a simple question about HBond energy... Florent Barbault (Thu Dec 11 2003 - 00:04:27 PST)
- Re: AMBER: a simple question about HBond energy... David A. Case (Fri Dec 12 2003 - 13:57:47 PST)
- Re: AMBER: a simple question about HBond energy... Bill Ross (Fri Dec 12 2003 - 14:16:42 PST)
AMBER: Carbohydrate connectivity Bimo Ario Tejo (Thu Dec 11 2003 - 07:14:05 PST)
- Re: AMBER: Carbohydrate connectivity Jiten (Thu Dec 11 2003 - 08:04:44 PST)
- Re: AMBER: Carbohydrate connectivity David A. Case (Thu Dec 11 2003 - 08:09:08 PST)
AMBER: GBSA problem northrop.chem.ucla.edu (Thu Dec 11 2003 - 15:28:27 PST)
- Re: AMBER: GBSA problem Wu Yingliang (Thu Dec 11 2003 - 20:20:05 PST)
AMBER: lifetime in ptraj hbond Fajar Rakhman Wibowo (Fri Dec 12 2003 - 01:28:45 PST)
- Re: AMBER: lifetime in ptraj hbond Martin Lepsik (Fri Dec 12 2003 - 05:29:28 PST)
AMBER: ambpdb L Jin (Fri Dec 12 2003 - 02:43:36 PST)
- Re: AMBER: ambpdb ch cureton (Fri Dec 12 2003 - 02:47:06 PST)
  - Re: AMBER: ambpdb L Jin (Fri Dec 12 2003 - 03:24:42 PST)
    - Re: AMBER: ambpdb ch cureton (Fri Dec 12 2003 - 03:53:17 PST)
AMBER: adding extra salt Vlad Cojocaru (Fri Dec 12 2003 - 05:34:55 PST)
AMBER: Antechamber:charges missing L Jin (Fri Dec 12 2003 - 07:45:35 PST)
Re: AMBER: adding extra salt Bill Ross (Fri Dec 12 2003 - 08:44:07 PST)
- AMBER: order parameter myang (Fri Dec 12 2003 - 12:25:17 PST)
  - Re: AMBER: order parameter David A. Case (Fri Dec 12 2003 - 13:29:26 PST)
AMBER: nmode, trajectory kbyun.wesleyan.edu (Fri Dec 12 2003 - 09:05:08 PST)
- Re: AMBER: nmode, trajectory Holger Gohlke (Sat Dec 13 2003 - 07:42:39 PST)
AMBER: parmscan Jessica Swanson (Fri Dec 12 2003 - 10:39:19 PST)
AMBER: non-zero 10-12 coefficient Bimo Ario Tejo (Sat Dec 13 2003 - 06:44:49 PST)
- Re: AMBER: non-zero 10-12 coefficient David A. Case (Sat Dec 13 2003 - 12:48:12 PST)
AMBER: How to use quasih? A. Hungie (Thu Dec 11 2003 - 08:12:23 PST)
- Re: AMBER: How to use quasih? David A. Case (Thu Dec 11 2003 - 08:34:39 PST)
AMBER: Heme and Zn parameters Vema Aparna (Sun Dec 14 2003 - 06:04:43 PST)
AMBER: Energy map L Jin (Mon Dec 15 2003 - 06:42:52 PST)
- Re: AMBER: Energy map Tammy Smith (Mon Dec 15 2003 - 06:57:29 PST)
  - Re: AMBER: Energy map Tammy Smith (Mon Dec 15 2003 - 07:17:31 PST)
    - Re: AMBER: Energy map Tammy Smith (Mon Dec 15 2003 - 07:37:30 PST)
    - Re: AMBER: Energy map Tammy Smith (Mon Dec 15 2003 - 07:57:31 PST)
    - Re: AMBER: Energy map Tammy Smith (Mon Dec 15 2003 - 08:27:32 PST)
    - Re: AMBER: Energy map Tammy Smith (Mon Dec 15 2003 - 08:57:31 PST)
    - Re: AMBER: Energy map Tammy Smith (Mon Dec 15 2003 - 09:17:32 PST)
    - Re: AMBER: Energy map Tammy Smith (Mon Dec 15 2003 - 09:37:32 PST)
    - Re: AMBER: Energy map Tammy Smith (Mon Dec 15 2003 - 09:57:32 PST)
    - Re: AMBER: Energy map Tammy Smith (Mon Dec 15 2003 - 10:17:33 PST)
    - Re: AMBER: Energy map Tammy Smith (Mon Dec 15 2003 - 10:37:33 PST)
AMBER: water neighborhood of amide hydrogens Jorge Vasquez-Kool (Mon Dec 15 2003 - 07:29:55 PST)
- Re: AMBER: water neighborhood of amide hydrogens Tammy Smith (Mon Dec 15 2003 - 07:37:30 PST)
  - Re: AMBER: water neighborhood of amide hydrogens Tammy Smith (Mon Dec 15 2003 - 07:57:31 PST)
    - Re: AMBER: water neighborhood of amide hydrogens Tammy Smith (Mon Dec 15 2003 - 08:27:32 PST)
    - Re: AMBER: water neighborhood of amide hydrogens Tammy Smith (Mon Dec 15 2003 - 08:47:32 PST)
    - Re: AMBER: water neighborhood of amide hydrogens Tammy Smith (Mon Dec 15 2003 - 09:17:32 PST)
    - Re: AMBER: water neighborhood of amide hydrogens Tammy Smith (Mon Dec 15 2003 - 09:37:32 PST)
    - Re: AMBER: water neighborhood of amide hydrogens Tammy Smith (Mon Dec 15 2003 - 09:57:32 PST)
    - Re: AMBER: water neighborhood of amide hydrogens Tammy Smith (Mon Dec 15 2003 - 10:27:33 PST)
    - Re: AMBER: water neighborhood of amide hydrogens Tammy Smith (Mon Dec 15 2003 - 10:47:34 PST)
- Re: AMBER: water neighborhood of amide hydrogens Thomas E. Cheatham, III (Mon Dec 15 2003 - 09:29:00 PST)
  - Re: AMBER: water neighborhood of amide hydrogens Tammy Smith (Mon Dec 15 2003 - 09:47:32 PST)
    - Re: AMBER: water neighborhood of amide hydrogens Tammy Smith (Mon Dec 15 2003 - 10:07:32 PST)
    - Re: AMBER: water neighborhood of amide hydrogens Tammy Smith (Mon Dec 15 2003 - 10:27:33 PST)
    - Re: AMBER: water neighborhood of amide hydrogens Tammy Smith (Mon Dec 15 2003 - 10:47:34 PST)
- Re: AMBER: water neighborhood of amide hydrogens Bill Ross (Mon Dec 15 2003 - 11:26:29 PST)
AMBER: length of deltaG calcs Heather A.Carlson (Mon Dec 15 2003 - 07:32:48 PST)
- Re: AMBER: length of deltaG calcs Tammy Smith (Mon Dec 15 2003 - 07:37:30 PST)
  - Re: AMBER: length of deltaG calcs Tammy Smith (Mon Dec 15 2003 - 07:57:31 PST)
    - Re: AMBER: length of deltaG calcs Tammy Smith (Mon Dec 15 2003 - 08:27:32 PST)
    - Re: AMBER: length of deltaG calcs Tammy Smith (Mon Dec 15 2003 - 08:47:32 PST)
    - Re: AMBER: length of deltaG calcs Tammy Smith (Mon Dec 15 2003 - 09:07:32 PST)
    - Re: AMBER: length of deltaG calcs Tammy Smith (Mon Dec 15 2003 - 09:37:32 PST)
    - Re: AMBER: length of deltaG calcs Tammy Smith (Mon Dec 15 2003 - 09:57:32 PST)
    - Re: AMBER: length of deltaG calcs Tammy Smith (Mon Dec 15 2003 - 10:17:33 PST)
    - Re: AMBER: length of deltaG calcs Tammy Smith (Mon Dec 15 2003 - 10:37:33 PST)
- Re: AMBER: length of deltaG calcs David Smith (Mon Dec 15 2003 - 08:16:26 PST)
  - Re: AMBER: length of deltaG calcs Tammy Smith (Mon Dec 15 2003 - 08:37:31 PST)
    - Re: AMBER: length of deltaG calcs Tammy Smith (Mon Dec 15 2003 - 08:57:31 PST)
    - Re: AMBER: length of deltaG calcs Tammy Smith (Mon Dec 15 2003 - 09:17:32 PST)
    - Re: AMBER: length of deltaG calcs Tammy Smith (Mon Dec 15 2003 - 09:37:32 PST)
    - Re: AMBER: length of deltaG calcs Tammy Smith (Mon Dec 15 2003 - 09:57:33 PST)
    - Re: AMBER: length of deltaG calcs Tammy Smith (Mon Dec 15 2003 - 10:17:33 PST)
    - Re: AMBER: length of deltaG calcs Tammy Smith (Mon Dec 15 2003 - 10:37:33 PST)
AMBER: question about namelist aini.UMDNJ.EDU (Mon Dec 15 2003 - 07:42:04 PST)
- Re: AMBER: question about namelist Tammy Smith (Mon Dec 15 2003 - 07:47:30 PST)
  - Re: AMBER: question about namelist Tammy Smith (Mon Dec 15 2003 - 08:07:31 PST)
    - Re: AMBER: question about namelist Tammy Smith (Mon Dec 15 2003 - 08:27:32 PST)
    - Re: AMBER: question about namelist Tammy Smith (Mon Dec 15 2003 - 08:47:32 PST)
    - Re: AMBER: question about namelist Tammy Smith (Mon Dec 15 2003 - 09:07:32 PST)
    - Re: AMBER: question about namelist Tammy Smith (Mon Dec 15 2003 - 09:27:32 PST)
    - Re: AMBER: question about namelist Tammy Smith (Mon Dec 15 2003 - 09:47:32 PST)
    - Re: AMBER: question about namelist Tammy Smith (Mon Dec 15 2003 - 10:07:32 PST)
    - Re: AMBER: question about namelist Tammy Smith (Mon Dec 15 2003 - 10:27:33 PST)
    - Re: AMBER: question about namelist Tammy Smith (Mon Dec 15 2003 - 10:47:34 PST)
- Re: AMBER: question about namelist Holger Gohlke (Mon Dec 15 2003 - 08:10:05 PST)
  - Re: AMBER: question about namelist Tammy Smith (Mon Dec 15 2003 - 08:27:32 PST)
    - Re: AMBER: question about namelist Tammy Smith (Mon Dec 15 2003 - 08:47:32 PST)
    - Re: AMBER: question about namelist Tammy Smith (Mon Dec 15 2003 - 09:07:32 PST)
    - Re: AMBER: question about namelist Tammy Smith (Mon Dec 15 2003 - 09:27:32 PST)
    - Re: AMBER: question about namelist Tammy Smith (Mon Dec 15 2003 - 09:47:32 PST)
    - Re: AMBER: question about namelist Tammy Smith (Mon Dec 15 2003 - 10:07:32 PST)
    - Re: AMBER: question about namelist Tammy Smith (Mon Dec 15 2003 - 10:27:33 PST)
    - Re: AMBER: question about namelist Tammy Smith (Mon Dec 15 2003 - 10:47:34 PST)
- Re: AMBER: question about namelist Suse Broyde (Mon Dec 15 2003 - 09:37:58 PST)
  - Re: AMBER: question about namelist Ioana Cozmuta (Mon Dec 15 2003 - 11:14:40 PST)
- Re: AMBER: question about namelist Piotr Cieplak (Mon Dec 15 2003 - 14:02:33 PST)
AMBER: minimization on sander Herbert Georg (Mon Dec 15 2003 - 12:05:25 PST)
Re: AMBER: minimization on sander Bill Ross (Mon Dec 15 2003 - 12:32:39 PST)
- Re: AMBER: minimization on sander Herbert Georg (Mon Dec 15 2003 - 13:21:13 PST)
AMBER: no "Input orientation" in g98 log Lee, Matt (Mon Dec 15 2003 - 15:13:10 PST)
AMBER: Ibelly and Ewald error message when ewald should be off Ben Cossins (Tue Dec 16 2003 - 15:01:52 PST)
AMBER: Nmode analysis ptn-ligand complex Jory Zmuda (Tue Dec 16 2003 - 15:11:13 PST)
AMBER: nmode statistics kbyun.wesleyan.edu (Wed Dec 17 2003 - 11:52:51 PST)
- Re: AMBER: nmode statistics Holger Gohlke (Wed Dec 17 2003 - 23:09:05 PST)
AMBER: PMEMD Performance on Beowulf systems Stephen.Titmuss.csiro.au (Thu Dec 18 2003 - 19:19:59 PST)
- Re: AMBER: PMEMD Performance on Beowulf systems Robert Duke (Thu Dec 18 2003 - 20:35:40 PST)
  - Re: AMBER: PMEMD Performance on Beowulf systems Carlos Simmerling (Fri Dec 19 2003 - 06:53:12 PST)
- RE: RE: AMBER: PMEMD Performance on Beowulf systems Aldo Jongejan (Sun Dec 21 2003 - 23:27:41 PST)
  - Re: AMBER: PMEMD Performance on Beowulf systems Viktor Hornak (Mon Dec 22 2003 - 05:47:42 PST)
    - Re: AMBER: PMEMD Performance on Beowulf systems David E. Konerding (Mon Dec 22 2003 - 07:53:20 PST)
    - Re: AMBER: PMEMD Performance on Beowulf systems Carlos Simmerling (Mon Dec 22 2003 - 08:12:37 PST)
    - Re: AMBER: PMEMD Performance on Beowulf systems David E. Konerding (Mon Dec 22 2003 - 08:57:23 PST)
    - Re: AMBER: PMEMD Performance on Beowulf systems Carlos Simmerling (Mon Dec 22 2003 - 09:06:39 PST)
    - AMBER: HT vs no HT John Mongan (Mon Dec 22 2003 - 11:18:31 PST)
    - Re: AMBER: PMEMD Performance on Beowulf systems Robert Duke (Mon Dec 22 2003 - 08:44:47 PST)
    - Re: AMBER: PMEMD Performance on Beowulf systems David E. Konerding (Mon Dec 22 2003 - 09:04:03 PST)
AMBER: MD: restrt L Jin (Fri Dec 19 2003 - 02:47:55 PST)
AMBER: special gaff atom types available? astrid.maass (Fri Dec 19 2003 - 03:58:30 PST)
- Re: AMBER: special gaff atom types available? David A. Case (Sat Dec 20 2003 - 08:25:14 PST)
AMBER: Ewald in Amber 7 Ben Cossins (Fri Dec 19 2003 - 07:49:11 PST)
- Re: AMBER: Ewald in Amber 7 David A. Case (Fri Dec 19 2003 - 09:30:23 PST)
AMBER: Vibration frequency of nucleobases A. Hungie (Fri Dec 19 2003 - 09:48:03 PST)
AMBER: Toolchest Shuang Ding (Fri Dec 19 2003 - 12:45:08 PST)
AMBER: initial velocity Fan Gao (Fri Dec 19 2003 - 16:56:16 PST)
- Re: AMBER: initial velocity Peter Oelschlaeger (Fri Dec 19 2003 - 18:08:43 PST)
AMBER: Curves parameters UU and PP Peter Gannett (Fri Dec 19 2003 - 20:08:02 PST)
- Re: AMBER: Curves parameters UU and PP Surjit Dixit (Sat Dec 20 2003 - 07:45:28 PST)
AMBER: vlimit? Ran Ye (Sun Dec 21 2003 - 14:15:57 PST)
- Re: AMBER: vlimit? David A. Case (Mon Dec 22 2003 - 09:24:18 PST)
  - Re: AMBER: vlimit? Ryan Ye (Tue Dec 23 2003 - 20:04:45 PST)
    - Re: AMBER: vlimit? David A. Case (Fri Dec 26 2003 - 10:18:16 PST)
Re: AMBER: vlimit? Bill Ross (Sun Dec 21 2003 - 20:04:40 PST)
AMBER: using sander without SHAKE Wayne Dawson (Sun Dec 21 2003 - 22:38:14 PST)
- Re: AMBER: using sander without SHAKE David A. Case (Mon Dec 22 2003 - 09:22:09 PST)
  - Re: AMBER: using sander without SHAKE Wayne Dawson (Wed Dec 24 2003 - 08:39:43 PST)
    - Re: AMBER: using sander without SHAKE David A. Case (Wed Dec 24 2003 - 10:06:40 PST)
- Re: AMBER: using sander without SHAKE Bill Ross (Wed Dec 24 2003 - 11:03:43 PST)
AMBER: GIBBS - PMF question: How to get <dV/d_lam> during TI calculations? Jiri Matousek (Mon Dec 22 2003 - 01:51:25 PST)
- Re: AMBER: GIBBS - PMF question: How to get <dV/d_lam> during TI calculations? David A. Case (Tue Dec 23 2003 - 11:18:39 PST)
AMBER: RESP charge redistribution Youyi Peng (Mon Dec 22 2003 - 13:27:13 PST)
AMBER: umbrella sampling with AMBER Mey Khalili (Mon Dec 22 2003 - 15:14:24 PST)
- Re: AMBER: umbrella sampling with AMBER David A. Case (Mon Dec 22 2003 - 17:48:30 PST)
2 FREE Worldwide Airline Tickets Worth $1600 for just $189! Bette Pagan (Mon Dec 22 2003 - 19:05:04 PST)
AMBER: MSMS Salma B. Rafi (Tue Dec 23 2003 - 10:36:18 PST)
- Re: AMBER: MSMS David A. Case (Tue Dec 23 2003 - 10:56:32 PST)
AMBER: PMEMD Performance on IBM SP David Skinner (Tue Dec 23 2003 - 12:00:45 PST)
AMBER: Basic potential question: a b (Wed Dec 24 2003 - 01:29:56 PST)
- AMBER: Basic potential question: Wayne Dawson (Wed Dec 24 2003 - 07:56:37 PST)
  - Re: AMBER: Basic potential question: FyD (Wed Dec 24 2003 - 10:35:22 PST)
  - Re: AMBER: Basic potential question: Piotr Cieplak (Wed Dec 24 2003 - 10:47:57 PST)
    - Re: AMBER: Basic potential question: Wayne Dawson (Thu Dec 25 2003 - 19:04:37 PST)
AMBER: MSE Wen Li (Wed Dec 24 2003 - 08:25:33 PST)
- Re: AMBER: MSE David A. Case (Wed Dec 24 2003 - 10:08:59 PST)
AMBER: Constant temperature L Jin (Sat Dec 27 2003 - 03:29:13 PST)
- Re: AMBER: Constant temperature David A. Case (Sat Dec 27 2003 - 22:46:46 PST)
Re: AMBER: Constant temperature Bill Ross (Sat Dec 27 2003 - 09:14:00 PST)
AMBER: roar topology and coordinate files PSR04996.mailstudenti.unimi.it (Mon Dec 29 2003 - 01:11:28 PST)
- Re: AMBER: roar topology and coordinate files M. L. Dodson (Mon Dec 29 2003 - 05:35:42 PST)
  - Re: AMBER: roar topology and coordinate files M. L. Dodson (Mon Dec 29 2003 - 12:15:57 PST)
- Re: AMBER: roar topology and coordinate files Bill Ross (Mon Dec 29 2003 - 16:14:53 PST)
  - Re: AMBER: roar topology and coordinate files M. L. Dodson (Mon Dec 29 2003 - 16:42:49 PST)
AMBER: The restart file generated by Ptraj Ling Zhang (Mon Dec 29 2003 - 12:49:52 PST)
AMBER: The lost velocities in the restart file generated by Ptraj Ling Zhang (Mon Dec 29 2003 - 13:12:47 PST)
Re: AMBER: The lost velocities in the restart file generated by Ptraj Bill Ross (Mon Dec 29 2003 - 16:11:54 PST)
AMBER: problems with pressure control Endres, Robert G. (Tue Dec 30 2003 - 06:38:02 PST)
- Re: AMBER: problems with pressure control David A. Case (Tue Dec 30 2003 - 10:03:06 PST)

Amber Archive Dec 2003 By Thread