AMBER Archive (2002) - By Thread

Starting: Wed Jan 02 2002 - 16:22:14 CST
Ending: Tue Dec 31 2002 - 15:51:31 CST

• question Kang, Jonghoon (Wed Jan 02 2002 - 16:22:14 CST)
  • Re: question David A. Case (Fri Nov 15 2002 - 20:45:34 CST)
    • Re: question Ioana Cozmuta (Fri Nov 15 2002 - 21:22:13 CST)
      • RE: question Yong Duan (Fri Nov 15 2002 - 22:40:56 CST)
      • Re: question Stéphane Teletchéa (Tue Nov 19 2002 - 06:43:04 CST)
• linux? Shixiang Yan (Thu Jan 03 2002 - 20:17:46 CST)
  • Re: linux? Carlos Simmerling (Fri Jan 04 2002 - 07:55:15 CST)
• pairlist limit Laila Abou Zeid (Fri Jan 04 2002 - 08:32:57 CST)
  • Re: pairlist limit Guanglei Cui (Fri Jan 04 2002 - 22:56:39 CST)
• xleap sara nunez (Fri Jan 04 2002 - 17:28:14 CST)
• MPI (parallel) version of GIBBS Etienne ENGLER (Mon Jan 07 2002 - 06:13:45 CST)
• Re: Not able to do parallel run (again) Stéphane Teletchéa (Mon Jan 07 2002 - 11:08:17 CST)
  • Re: Not able to do parallel run (again) Stéphane Teletchéa (Tue Jan 08 2002 - 10:21:07 CST)
• average position of water Hungie Hungie (Tue Jan 08 2002 - 06:28:00 CST)
  • Re: average position of water Elsa de Sousa Henriques (Tue Jan 08 2002 - 16:15:44 CST)
• questions about resp X. Tan (Tue Jan 08 2002 - 10:31:55 CST)
  • Re: questions about resp X. Tan (Tue Mar 12 2002 - 15:02:22 CST)
• Amber on Tru64 Sebastian Jayaraj (Tue Jan 08 2002 - 13:22:43 CST)
  • Re: Amber on Tru64 jim caldwell (Tue Jan 08 2002 - 13:51:06 CST)
• adiabatic map franck chevalier (Wed Jan 09 2002 - 06:41:57 CST)
• SCEE parameter Sophia Kondratova (Wed Jan 09 2002 - 10:49:36 CST)
• removing rotational motion in MD Michael G Cooney (Wed Jan 09 2002 - 11:41:26 CST)
  • Re: removing rotational motion in MD Stéphane Teletchéa (Wed Jan 09 2002 - 12:04:30 CST)
    • Re: removing rotational motion in MD Sanjeev B.S. (Wed Jan 09 2002 - 12:54:55 CST)
      • Re: removing rotational motion in MD Stéphane Teletchéa (Thu Jan 10 2002 - 02:35:54 CST)
• question: velocity units Martina Roeselova (Wed Jan 09 2002 - 11:46:00 CST)
  • Re: question: velocity units Pascal Bonnet (Wed Jan 09 2002 - 11:57:58 CST)
• Amber 6 on IA64 Karen Haskell (Wed Jan 09 2002 - 15:35:02 CST)
• (no subject) amutha ramaswamy (Thu Jan 10 2002 - 04:11:15 CST)
• inquiry regarding AMBER xz27 (Thu Jan 10 2002 - 15:24:08 CST)
  • Re: inquiry regarding AMBER David Case (Thu Jan 10 2002 - 16:51:54 CST)
• seperate_solute_output Mirjam Lerch (Fri Jan 11 2002 - 03:02:31 CST)
• Re: Re:ERROR TERMINATION DUE TO SHAKE OR TORCON sxzheng (Fri Jan 11 2002 - 21:21:30 CST)
• multiple improper torsion terms Thijs Beuming (Fri Jan 11 2002 - 21:37:58 CST)
• pukering of DNA bases? A.Madhumalar (Sat Jan 12 2002 - 23:03:50 CST)
• ptraj cannot use compressed files? Michael G Cooney (Mon Jan 14 2002 - 10:17:03 CST)
• ptraj and compressed files Michael G Cooney (Mon Jan 14 2002 - 10:48:40 CST)
• (no subject) Sophia Kondratova (Mon Jan 14 2002 - 12:28:01 CST)
  • Re: your mail jim caldwell (Mon Jan 14 2002 - 13:01:44 CST)
• how to neutralise the system? X. Tan (Mon Jan 14 2002 - 13:18:14 CST)
  • Re: how to neutralise the system? David Case (Mon Jan 14 2002 - 13:35:00 CST)
• resizing and recompiling sander UMEMOTO kimiko (Mon Jan 14 2002 - 19:12:02 CST)
• temperature control Jerry wu (Mon Jan 14 2002 - 21:55:16 CST)
  • Re: temperature control Michael G Cooney (Tue Feb 05 2002 - 13:15:58 CST)
• azobenzene parameters Uwe Richter (Tue Jan 15 2002 - 04:18:03 CST)
• minimising WATBOX216 sara nunez (Tue Jan 15 2002 - 13:11:04 CST)
  • Re: minimising WATBOX216 Michael G Cooney (Tue Jan 15 2002 - 15:38:58 CST)
• I can not see text in xleap ! S. Jang (Wed Jan 16 2002 - 00:56:04 CST)
• Amber 6.0 purchasing!! hathaimard pongkasem (Wed Jan 16 2002 - 02:14:48 CST)
• Amber 6.0 purchasing!! hathaimard pongkasem (Wed Jan 16 2002 - 02:15:03 CST)
• sander (Amber5) vs sander_classic (Amber6) Uwe Richter (Wed Jan 16 2002 - 05:33:32 CST)
  • unsuscribe Ivan Beà (Wed Jan 16 2002 - 09:25:38 CST)
• Open position: Postdoctoral Scientist Joachim Reichelt (Wed Jan 16 2002 - 09:57:07 CST)
• Parameters Marta Murcia (Wed Jan 16 2002 - 09:59:26 CST)
• Stretching Constants Daniel Flint (Thu Jan 17 2002 - 05:21:52 CST)
  • Maxwell Boltzmann Distribution Stéphane Teletchéa (Thu Jan 17 2002 - 08:48:02 CST)
• Amino acid unit "NHE" problem ? S. Jang (Thu Jan 17 2002 - 06:27:19 CST)
  • Re: Amino acid unit "NHE" problem ? Michael Jakusch (Thu Jan 17 2002 - 08:32:28 CST)
  • Re: Amino acid unit "NHE" problem ? Raik Grunberg (Thu Jan 17 2002 - 09:23:30 CST)
  • Re: Amino acid unit "NHE" problem ? David Case (Thu Jan 17 2002 - 10:37:55 CST)
• NAD parameters Andy Purkiss (Thu Jan 17 2002 - 13:42:21 CST)
• nmode memory requirements Michael Jakusch (Fri Jan 18 2002 - 10:15:52 CST)
  • Re: nmode memory requirements David Case (Fri Jan 18 2002 - 11:50:29 CST)
• Amber6 + IBM SP3 Sanjeev B.S. (Sat Jan 19 2002 - 08:59:58 CST)
• Latest parm + getting parm98 as default in LEaP Sanjeev B.S. (Mon Jan 21 2002 - 00:43:42 CST)
  • Re: Latest parm + getting parm98 as default in LEaP Andreas Svrcek-Seiler (Mon Jan 21 2002 - 04:01:49 CST)
    • Re: Latest parm + getting parm98 as default in LEaP Lepsa (Tue Jan 22 2002 - 00:39:59 CST)
      • Re: Latest parm + getting parm98 as default in LEaP David Case (Tue Jan 22 2002 - 10:14:55 CST)
  • Re:Latest parm + getting parm98 as default in LEaP Bill Ross (Tue Jan 22 2002 - 01:07:39 CST)
• nmode vectors Thijs Beuming (Mon Jan 21 2002 - 06:24:48 CST)
• triNAG parameters?4 Andrea Bernini (Mon Jan 21 2002 - 09:13:26 CST)
  • Re: triNAG parameters?4 Michael Ford (Tue Jan 22 2002 - 11:19:21 CST)
• timescale of deoxyribose ring repuckering Jake Isaacs (Tue Jan 22 2002 - 10:43:40 CST)
• "flags" in .lib files Sue Heavner (Wed Jan 23 2002 - 10:22:08 CST)
  • Re: "flags" in .lib files Bill Ross (Wed Jan 23 2002 - 13:39:45 CST)
• DOCK Peter Gannett (Thu Jan 24 2002 - 08:48:52 CST)
• MP_Lite Stéphane Teletchéa (Thu Jan 24 2002 - 11:44:40 CST)
• torsional fit Fabrizio Giordanetto (Fri Jan 25 2002 - 04:34:55 CST)
• group input in ANAL Elizabeth K. White (Fri Jan 25 2002 - 16:11:13 CST)
  • Re: group input in ANAL Mite51 (Sat Jan 26 2002 - 15:09:46 CST)
• xleap and PDB file Prabal Maiti (Tue Jan 29 2002 - 01:28:23 CST)
• restart md simulation Uwe Richter (Tue Jan 29 2002 - 03:35:50 CST)
  • Re: restart md simulation Michael G Cooney (Tue Jan 29 2002 - 10:44:03 CST)
• box_size Susanna Monti (Tue Jan 29 2002 - 04:34:22 CST)
  • Re: box_size darden (Tue Jan 29 2002 - 09:38:55 CST)
  • Re: box_size jim caldwell (Tue Jan 29 2002 - 09:56:23 CST)
• MacOS X David Bevan (Tue Jan 29 2002 - 10:15:12 CST)
• B-factor Michal Otyepka (Thu Jan 31 2002 - 04:45:50 CST)
• LIMIN Faliure/Energies per residue for B-DNA etc. Prabal Maiti (Thu Jan 31 2002 - 13:49:00 CST)
  • Re: LIMIN Faliure/Energies per residue for B-DNA etc. darden (Thu Jan 31 2002 - 15:11:19 CST)
• question regarding ntwv. Margaret Cheung (Thu Jan 31 2002 - 19:55:58 CST)
  • Re: question regarding ntwv. David Case (Fri Feb 01 2002 - 00:43:51 CST)
• help on parameters. X. Tan (Mon Feb 04 2002 - 19:40:52 CST)
• quasih Sue Heavner (Wed Feb 06 2002 - 09:16:25 CST)
  • Re: quasih CUI, Guanglei (Wed Feb 06 2002 - 09:53:55 CST)
• ImagingAtom eric ARNOULT (Wed Feb 06 2002 - 10:07:04 CST)
  • Re: ImagingAtom Bill Ross (Thu Feb 07 2002 - 04:41:57 CST)
• compile AMBER on cygwin? quch quch (Thu Feb 07 2002 - 13:46:43 CST)
• frcmod file format Sophia Kondratova (Mon Feb 11 2002 - 12:16:23 CST)
  • Re: frcmod file format CUI, Guanglei (Mon Feb 11 2002 - 12:38:37 CST)
  • Re: frcmod file format Lepsa (Tue Feb 12 2002 - 01:05:54 CST)
• parm94.dat file x357l (Tue Feb 12 2002 - 12:21:44 CST)
  • Lipid simulation, DMPC Samantha (Wed Feb 13 2002 - 10:24:20 CST)
• IFTRES option in sander and gibbs Alexander Issanin (Tue Feb 12 2002 - 15:09:52 CST)
• belly input Prabal Maiti (Tue Feb 12 2002 - 16:26:21 CST)
• Linking to its own image Miguel Angel Rodriguez Carvajal (Thu Feb 14 2002 - 08:15:52 CST)
• RESP Crash Mike Keller (Thu Feb 14 2002 - 09:24:51 CST)
• Re: problem in running MM-PBSA script David Case (Thu Feb 14 2002 - 10:42:52 CST)
• residual dipolar coupling restraints Jake Isaacs (Thu Feb 14 2002 - 13:37:42 CST)
• memory problem on gibbs X. Tan (Thu Feb 14 2002 - 18:24:55 CST)
• flying monomers... Margaret Cheung (Fri Feb 15 2002 - 17:58:39 CST)
• MPICH/LAM on sparc Sanjeev B.S. (Sat Feb 16 2002 - 06:23:26 CST)
• Power Point slides Krishna Bisetty (Mon Feb 18 2002 - 01:11:22 CST)
• .OFF file format Dr Jan Rosenzweig (Mon Feb 18 2002 - 12:14:27 CST)
  • Re: .OFF file format Bill Ross (Mon Feb 18 2002 - 14:26:16 CST)
• Gibbs Question Bernd Wellenzohn (Mon Feb 18 2002 - 14:47:15 CST)
• removing rotational motion John Finke (Tue Feb 19 2002 - 03:44:08 CST)
  • Re: removing rotational motion Andreas Svrcek-Seiler (Tue Feb 19 2002 - 06:27:18 CST)
  • Re: removing rotational motion Raik Grunberg (Tue Feb 19 2002 - 06:30:00 CST)
    • Re: removing rotational motion Stéphane Teletchéa (Tue Feb 19 2002 - 07:15:10 CST)
  • Re: removing rotational motion Raik Grunberg (Tue Feb 19 2002 - 06:30:00 CST)
  • Re: removing rotational motion Jianxin Guo (Fri Feb 22 2002 - 16:32:48 CST)
• restrt problem Sanjeev B.S. (Tue Feb 19 2002 - 07:50:41 CST)
• Xleap x357l (Tue Feb 19 2002 - 10:03:11 CST)
• The link is out Stéphane Teletchéa (Tue Feb 19 2002 - 10:58:44 CST)
  • Re: The link is out Carlos Simmerling (Tue Feb 19 2002 - 14:53:45 CST)
  • Re: The link is out David Case (Wed Feb 20 2002 - 11:20:00 CST)
• ERROR from RESNBA X. Tan (Tue Feb 19 2002 - 19:39:21 CST)
• AMBER logo citation FyD (Wed Feb 20 2002 - 01:53:18 CST)
  • Re: AMBER logo citation Lepsa (Wed Feb 20 2002 - 03:02:15 CST)
    • Re: AMBER logo citation Pascal Bonnet (Wed Feb 20 2002 - 02:17:39 CST)
  • Re: AMBER logo citation David Case (Wed Feb 20 2002 - 11:11:41 CST)
• rms and watershell (in ptraj) dkon_at_email.arizona.edu (Wed Feb 20 2002 - 18:54:58 CST)
• MPI sander Uwe Richter (Thu Feb 21 2002 - 07:13:52 CST)
• vlimit exceed Prabal Maiti (Thu Feb 21 2002 - 21:23:39 CST)
  • Re: vlimit exceed Yuguang Mu (Fri Feb 22 2002 - 01:44:53 CST)
  • Re: vlimit exceed David Case (Sun Feb 24 2002 - 00:03:24 CST)
• MD with simulated annealing Giulio Rastelli (Fri Feb 22 2002 - 12:39:56 CST)
• anal input Prabal Maiti (Fri Feb 22 2002 - 18:31:58 CST)
• recursively calling sander? Jeff Ames (Mon Feb 25 2002 - 10:32:54 CST)
  • Re: recursively calling sander? David Pearlman (Mon Feb 25 2002 - 21:10:22 CST)
• redius of B-DNA duplex Hungie Hungie (Mon Feb 25 2002 - 10:49:26 CST)
  • Re: redius of B-DNA duplex A.Madhumalar (Mon Feb 25 2002 - 11:41:42 CST)
• Carnal coordinate averaging Michael G Cooney (Mon Feb 25 2002 - 16:01:26 CST)
  • Re: Carnal coordinate averaging Bill Ross (Mon Feb 25 2002 - 16:44:17 CST)
• (no subject) deepak rangaswamy (Tue Feb 26 2002 - 05:28:18 CST)
• leap:segmentation fault Sanjeev B.S. (Tue Feb 26 2002 - 10:30:45 CST)
• xleap and carbohydrates and stuff Amesh Patel (Wed Feb 27 2002 - 08:43:23 CST)
• Cholesterol PREP file samantha hughes (Wed Feb 27 2002 - 09:28:46 CST)
  • Re: Cholesterol PREP file Stéphane Teletchéa (Thu Feb 28 2002 - 03:48:16 CST)
• (no subject) Ian Bates (Wed Feb 27 2002 - 15:23:17 CST)
• visualizaion program for NMODE! Pradipta Bandyopadhyay (Wed Feb 27 2002 - 16:48:30 CST)
  • Re: visualizaion program for NMODE! Yuguang Mu (Thu Feb 28 2002 - 02:56:44 CST)
• correlated motions in a protein! Pradipta Bandyopadhyay (Wed Feb 27 2002 - 17:52:55 CST)
• Persistence length Bernd Wellenzohn (Thu Feb 28 2002 - 09:39:11 CST)
• AMBER 99 John Finke (Thu Feb 28 2002 - 18:22:55 CST)
  • Re: AMBER 99 Felipe Pineda (Fri Mar 01 2002 - 02:25:27 CST)
• (no subject) deepak rangaswamy (Fri Mar 01 2002 - 05:00:51 CST)
• Release of Amber, version 7 (fwd) amber mail account (Sun Mar 03 2002 - 17:13:26 CST)
  • Re: Release of Amber, version 7 (fwd) SPEROLEEM_at_aol.com (Tue Mar 05 2002 - 16:16:27 CST)
  • bug in .../sander/egb.f ? Thomas A. Spraggins (Thu Jun 20 2002 - 12:45:28 CDT)
    • Re: bug in .../sander/egb.f ? Sanjeev B.S. (Mon Jul 08 2002 - 14:08:09 CDT)
  • Re: amber-request@cgl.ucsf.edu Mihaly Mezei (Mon Jul 29 2002 - 13:42:22 CDT)
• concentrated system Jerry wu (Mon Mar 04 2002 - 02:36:21 CST)
• carnal and union Pascal Bonnet (Mon Mar 04 2002 - 03:00:20 CST)
• carnal and union: solution Pascal Bonnet (Mon Mar 04 2002 - 06:33:17 CST)
• GB simulation Giulio Rastelli (Mon Mar 04 2002 - 10:32:28 CST)
  • Re: GB simulation CUI, Guanglei (Mon Mar 04 2002 - 09:41:53 CST)
• amber 60 on Unicos Cray Cezary Czaplewski (Mon Mar 04 2002 - 11:56:36 CST)
• (no subject) Campbell, Matthew P (Tue Mar 05 2002 - 11:21:07 CST)
• a question about .in files Vlad Cojocaru (Wed Mar 06 2002 - 09:00:02 CST)
  • Re: a question about .in files Bill Ross (Wed Mar 06 2002 - 13:16:53 CST)
• leap calculation Itziar Maestre Asenjo (Wed Mar 06 2002 - 11:43:44 CST)
• Re: leap calculation (loadamberprep) Bill Ross (Wed Mar 06 2002 - 13:22:33 CST)
• Are the programs sander and gibbs in Amber 7 parallel? ramon kleber da rocha (Wed Mar 06 2002 - 13:28:01 CST)
• converting some files Vlad Cojocaru (Thu Mar 07 2002 - 05:00:00 CST)
• dG of wild type/mutant FyD (Thu Mar 07 2002 - 05:26:31 CST)
• statistical analysis of MD trajectories Jake Isaacs (Thu Mar 07 2002 - 11:24:03 CST)
• parameter estimation Vlad Cojocaru (Thu Mar 07 2002 - 12:32:25 CST)
  • Fw: parameter estimation Lepsa (Fri Mar 08 2002 - 03:52:50 CST)
• choosing a forcefield nepenthes_at_vplaces.net (Thu Mar 07 2002 - 21:51:25 CST)
• high electrostatic energy thenmalar rathinavelan (Thu Mar 07 2002 - 23:13:40 CST)
• new units Vlad Cojocaru (Fri Mar 08 2002 - 08:35:46 CST)
  • rdparm error message Rukman Hertadi (Sun Mar 10 2002 - 02:46:53 CST)
• Europium force field parms Peter Gannett (Sun Mar 10 2002 - 14:07:44 CST)
• Re Europium force field parms Fabrice Yerly (Mon Mar 11 2002 - 01:32:59 CST)
  • scaleCharges Vojta Klusak (Mon Mar 11 2002 - 03:45:54 CST)
    • Re: scaleCharges David Case (Mon Mar 11 2002 - 11:37:51 CST)
• Re Europium force field parms Marc Baaden (Mon Mar 11 2002 - 05:52:40 CST)
• limit of written files with ptraj Carles Ferrer (Mon Mar 11 2002 - 14:54:16 CST)
• combining trajectory file Rukman Hertadi (Tue Mar 12 2002 - 03:48:49 CST)
  • Re: combining trajectory file Natasja Brooijmans (Tue Mar 12 2002 - 10:00:38 CST)
    • Re: combining trajectory file CUI, Guanglei (Tue Mar 12 2002 - 10:24:44 CST)
      • Re: combining trajectory file Thomas Cheatham (Tue Mar 12 2002 - 12:30:51 CST)
• question on Gibbs calculation X. Tan (Tue Mar 12 2002 - 15:50:24 CST)
• help please :) Richard Kho (Fri Mar 15 2002 - 18:59:23 CST)
• Post-doctoral position Wolfe, Jennifer (Mon Mar 18 2002 - 10:33:11 CST)
• Dual AMD motherboards jim caldwell (Mon Mar 18 2002 - 17:47:12 CST)
  • RE: Dual AMD motherboards Demchuk, Eugene (Mon Mar 18 2002 - 18:52:55 CST)
    • RE: Dual AMD motherboards jim caldwell (Mon Mar 18 2002 - 20:04:24 CST)
  • RE: Dual AMD motherboards Greaves, Greg (Contractor-SIMTECH) (Fri Jul 12 2002 - 10:33:54 CDT)
    • Re: Dual AMD motherboards Pietro Amodeo (Mon Jul 15 2002 - 03:36:34 CDT)
      • RE: Dual AMD motherboards Ross Walker (Tue Jul 16 2002 - 02:31:56 CDT)
• Dual AMD ASUS A7M266-D Solved jim caldwell (Mon Mar 18 2002 - 20:37:19 CST)
• minimization problem Uwe Richter (Tue Mar 19 2002 - 06:22:06 CST)
  • Re: minimization problem Andreas Svrcek-Seiler (Tue Mar 19 2002 - 07:33:19 CST)
• carnal RST output format Pascal Bonnet (Tue Mar 19 2002 - 08:12:31 CST)
  • Re: carnal RST output format Bill Ross (Tue Mar 19 2002 - 13:32:36 CST)
    • Re: carnal RST output format Andy Purkiss (Tue Mar 19 2002 - 14:45:00 CST)
• Still no bench Stéphane Teletchéa (Tue Mar 19 2002 - 09:17:45 CST)
• creating a unit wth xleap Marcela Madrid (Tue Mar 19 2002 - 13:07:30 CST)
  • Re: creating a unit wth xleap Bill Ross (Tue Mar 19 2002 - 13:43:25 CST)
• Amber6 & ES40 incompatability Sanjeev B.S. (Wed Mar 20 2002 - 01:01:17 CST)
• building bcyd with tleap Itziar Maestre Asenjo (Wed Mar 20 2002 - 04:51:47 CST)
• MM-PBSA philosophy Michal Otyepka (Wed Mar 20 2002 - 06:34:24 CST)
  • Re: MM-PBSA philosophy Felipe Pineda (Wed Mar 20 2002 - 08:25:05 CST)
  • Re: MM-PBSA philosophy David Case (Wed Mar 20 2002 - 10:10:05 CST)
• atom connection, .off file problem Uwe Richter (Wed Mar 20 2002 - 07:48:07 CST)
• Question about obtaining amber! Peter Fojan (Thu Mar 21 2002 - 07:19:59 CST)
• MS program ... A. Ababou (Sat Mar 23 2002 - 10:21:15 CST)
  • Re: MS program ... Samantha (Sat Mar 23 2002 - 11:09:14 CST)
• mdcrd to arc Ian R Bates (Sat Mar 23 2002 - 10:46:21 CST)
• nmropt problem in AMBER7 Rukman Hertadi (Mon Mar 25 2002 - 03:51:22 CST)
• Resending: Medicinal and Computational Chemistry Job Market Computational Chemistry Job Market (Mon Mar 25 2002 - 14:05:03 CST)
• Re: polarizabilities Lepsa (Tue Mar 26 2002 - 03:12:09 CST)
  • Polarizabilities, charge scaling and ions Michal Otyepka (Wed Mar 27 2002 - 03:42:29 CST)
• Hydrogen bond energy using Anal A.Madhumalar (Tue Mar 26 2002 - 04:23:34 CST)
• One question about how to use the amber Zhe SUN (Tue Mar 26 2002 - 06:49:35 CST)
• secondary structure Ian R Bates (Tue Mar 26 2002 - 13:49:48 CST)
• problems using Link John Finke (Tue Mar 26 2002 - 14:39:59 CST)
• GB model and belly dkon_at_email.arizona.edu (Tue Mar 26 2002 - 15:46:40 CST)
  • Re: GB model and belly David Case (Tue Mar 26 2002 - 17:07:33 CST)
• More GB/Belly dkon_at_email.arizona.edu (Tue Mar 26 2002 - 16:00:23 CST)
• s-matrix format and ftnmr Shixiang Yan (Wed Mar 27 2002 - 15:49:50 CST)
• What is the atoms limit for Amber 7? William Wei (Wed Mar 27 2002 - 16:19:34 CST)
  • Re: What is the atoms limit for Amber 7? David Case (Wed Mar 27 2002 - 17:45:44 CST)
• sulfate and sulfamate parameters jeff dyason (Wed Mar 27 2002 - 22:28:55 CST)
• AMBER 5 Monica (Wed Mar 27 2002 - 22:29:12 CST)
• change topology Michal Otyepka (Thu Mar 28 2002 - 02:44:38 CST)
  • Re: change topology Bill Ross (Thu Mar 28 2002 - 03:45:49 CST)
• Magnesium as a DNA counterion in AMBER 6.0 Mike Keller (Thu Mar 28 2002 - 09:31:29 CST)
• Amber6, GB (Memory, MATOM, nmr.h)/Folding (mutation) Wu, JianHui(IAF)(LAVAL) (Thu Mar 28 2002 - 11:56:04 CST)
  • Re: Amber6, GB (Memory, MATOM, nmr.h)/Folding (mutation) David Case (Thu Mar 28 2002 - 12:40:16 CST)
• a little bit confused with leap-frog algorithm... Margaret Cheung (Thu Mar 28 2002 - 15:08:40 CST)
  • Re: a little bit confused with leap-frog algorithm... David Case (Thu Mar 28 2002 - 19:52:38 CST)
    • Re: a little bit confused with leap-frog algorithm... Margaret Cheung (Sat Mar 30 2002 - 21:35:36 CST)
      • compiling error. Margaret Cheung (Sun Mar 31 2002 - 01:26:53 CST)
      • Re: compiling error. Carlos Simmerling (Sun Mar 31 2002 - 09:24:19 CST)
      • Re: compiling error. Margaret Cheung (Sun Mar 31 2002 - 22:44:07 CST)
      • Re: compiling error. Bill Ross (Mon Apr 01 2002 - 01:30:24 CST)
• Problem with atom type rhertadi_at_bio.titech.ac.jp (Thu Mar 28 2002 - 15:55:33 CST)
  • Re: Problem with atom type Bill Ross (Thu Mar 28 2002 - 18:14:16 CST)
• convergence of MD simulations Sue Heavner (Sat Mar 30 2002 - 17:02:16 CST)
• does PME function without charge neutralization? Ian R Bates (Tue Apr 02 2002 - 12:30:41 CST)
  • Re: does PME function without charge neutralization? darden (Tue Apr 02 2002 - 16:23:02 CST)
• (no subject) deepak rangaswamy (Tue Apr 02 2002 - 22:52:55 CST)
• input files Monica (Wed Apr 03 2002 - 07:00:42 CST)
  • Re: input files Carlos Simmerling (Wed Apr 03 2002 - 07:40:30 CST)
• Initial Amber 7 benchmark timings David Case (Wed Apr 03 2002 - 20:33:14 CST)
  • Re: Initial Amber 7 benchmark timings Stéphane Teletchéa (Thu Apr 04 2002 - 03:36:23 CST)
  • About the sander_classic calculation Alan Leo (Thu Apr 04 2002 - 15:32:34 CST)
    • Re: About the sander_classic calculation John Bushnell (Thu Apr 04 2002 - 16:31:11 CST)
• amber7, PME and anisotrop press. Arvid Soederhaell (Thu Apr 04 2002 - 03:46:58 CST)
• new residues Vlad Cojocaru (Thu Apr 04 2002 - 07:03:37 CST)
• convergence of MD simulations Sue Heavner (Thu Apr 04 2002 - 16:24:05 CST)
  • Re: convergence of MD simulations Andreas Svrcek-Seiler (Fri Apr 05 2002 - 04:12:11 CST)
  • Re: convergence of MD simulations darden (Mon Apr 08 2002 - 15:08:10 CDT)
• Sander-Gibbs Kidley N J (Mon Apr 08 2002 - 10:34:49 CDT)
• PDB file with CONECT record Prabal Maiti (Mon Apr 08 2002 - 14:06:21 CDT)
  • Re:PDB file with CONECT record Bill Ross (Mon Apr 08 2002 - 15:02:21 CDT)
  • Re: PDB file with CONECT record Bill Ross (Wed Apr 10 2002 - 01:09:36 CDT)
    • Re: PDB file with CONECT record Prabal Maiti (Fri Apr 12 2002 - 01:27:15 CDT)
      • Re: PDB file with CONECT record Bill Ross (Fri Apr 12 2002 - 02:27:37 CDT)
      • Re: PDB file with CONECT record Miguel Angel (Fri Apr 12 2002 - 05:03:09 CDT)
      • Re: PDB file with CONECT record Prabal Maiti (Tue Apr 16 2002 - 00:48:00 CDT)
• PDB file with CONECT record (fwd) Prabal Maiti (Tue Apr 09 2002 - 20:04:50 CDT)
  • Re: PDB file with CONECT record (fwd) David Case (Tue Apr 09 2002 - 22:30:38 CDT)
• Roar 2.1 with Amber7 Soonmin Jang (Tue Apr 09 2002 - 22:39:07 CDT)
  • RE: Roar 2.1 with Amber7 Ross Walker (Wed Apr 10 2002 - 00:48:43 CDT)
• Amber7 and VMD Soonmin Jang (Wed Apr 10 2002 - 03:40:37 CDT)
  • Re: Amber7 and VMD Thomas Cheatham (Wed Apr 10 2002 - 08:55:46 CDT)
• (no subject) Mark Hsieh (Wed Apr 10 2002 - 15:31:50 CDT)
  • Re: Carlos Simmerling (Sat Apr 13 2002 - 07:06:29 CDT)
• Matching Patterns Tali (Wed Apr 10 2002 - 16:57:59 CDT)
• DNA structure get distorted Monica (Thu Apr 11 2002 - 03:00:48 CDT)
  • Re: DNA structure get distorted David Case (Fri Apr 12 2002 - 11:27:10 CDT)
• noesy intensity input in DNA Monica (Thu Apr 11 2002 - 03:03:50 CDT)
• Follow distances during MD Francois Dupradeau (Thu Apr 11 2002 - 05:19:02 CDT)
  • Re: Follow distances during MD Raik Grunberg (Thu Apr 11 2002 - 07:49:16 CDT)
• (no subject) Mark Beardsell (Thu Apr 11 2002 - 08:36:29 CDT)
  • Re: your mail Andreas Svrcek-Seiler (Thu Apr 11 2002 - 09:33:22 CDT)
• Save from LEaP to a PDBQ file ? jeff dyason (Thu Apr 11 2002 - 22:50:32 CDT)
  • Re: Save from LEaP to a PDBQ file ? Bill Ross (Fri Apr 12 2002 - 01:16:28 CDT)
• Thanks FyD (Fri Apr 12 2002 - 02:04:53 CDT)
• order parameters? Arvid Soederhaell (Fri Apr 12 2002 - 07:55:33 CDT)
• Compiling Amber7 on a Beowulf Cluster - Compiling Error Peter Gannett (Fri Apr 12 2002 - 18:59:38 CDT)