AMBER Archive (2007) - Jun 2007 By Thread

Starting: Fri Jun 01 2007 - 02:00:36 CDT
Ending: Sat Jun 30 2007 - 23:22:43 CDT

• AMBER: Regarding conversion of CHARMM force field parameters to AMBER parameters. nag raj (Wed Jun 13 2007 - 22:58:22 CDT)
• AMBER: LES problem Urszula Uciechowska (Mon Jun 04 2007 - 08:34:42 CDT)
  • Re: AMBER: LES problem Carlos Simmerling (Tue Jun 05 2007 - 07:14:15 CDT)
  • Re: AMBER: LES problem Vlad Cojocaru (Tue Jun 05 2007 - 07:41:19 CDT)
• AMBER: dihedral simulation lishan yao (Sun Jun 03 2007 - 10:49:33 CDT)
• Re: AMBER: dihedral simulation David A. Case (Sun Jun 03 2007 - 22:06:26 CDT)
• Re: AMBER: RESTRAINTMASK Sandeep Kaushik (Mon Jun 04 2007 - 00:38:21 CDT)
  • Re: AMBER: RESTRAINTMASK Roberto Veiga (Mon Jun 04 2007 - 15:09:23 CDT)
• Re: AMBER: Solvent models Francesco Pietra (Fri Jun 01 2007 - 02:00:36 CDT)
  • Re: AMBER: Solvent models FyD (Fri Jun 01 2007 - 03:14:20 CDT)
• Re: AMBER: Reg restraint value obtained during umbrella sampling D.Usharani (Fri Jun 01 2007 - 12:12:23 CDT)
  • Re: AMBER: Reg restraint value obtained during umbrella sampling David A. Case (Fri Jun 01 2007 - 20:19:35 CDT)
  • Re: AMBER: Reg restraint value obtained during umbrella sampling D.Usharani (Sat Jun 02 2007 - 06:07:43 CDT)
  • Re: AMBER: Reg restraint value obtained during umbrella sampling David A. Case (Sat Jun 02 2007 - 15:07:47 CDT)
  • Re: AMBER: Reg restraint value obtained during umbrella sampling D.Usharani (Fri Jun 08 2007 - 01:01:46 CDT)
• AMBER: rms in nmode Marie Brut (Fri Jun 01 2007 - 02:22:22 CDT)
  • Re: AMBER: rms in nmode cristian (Fri Jun 01 2007 - 02:59:18 CDT)
  • Re: AMBER: rms in nmode David A. Case (Fri Jun 01 2007 - 10:50:27 CDT)
• AMBER: problem in installing amber9 Syed Tarique Moin (Fri Jun 01 2007 - 02:10:44 CDT)
  • Re: AMBER: problem in installing amber9 David A. Case (Fri Jun 01 2007 - 20:12:56 CDT)
    • Re: AMBER: problem in installing amber9 Syed Tarique Moin (Tue Jun 12 2007 - 03:04:57 CDT)
      • Re: AMBER: problem in installing amber9 David A. Case (Tue Jun 12 2007 - 16:29:14 CDT)
      • RE: AMBER: problem in installing amber9 Ross Walker (Tue Jun 12 2007 - 22:44:16 CDT)
      • Re: AMBER: problem in installing amber9 Henk Meij (Wed Jun 13 2007 - 08:41:27 CDT)
      • RE: AMBER: problem in installing amber9 Ross Walker (Wed Jun 13 2007 - 10:25:19 CDT)
      • Re: AMBER: problem in installing amber9 Henk Meij (Wed Jun 13 2007 - 12:30:59 CDT)
      • RE: AMBER: problem in installing amber9 Ross Walker (Wed Jun 13 2007 - 13:29:04 CDT)
      • Re: AMBER: problem in installing amber9 Robert Duke (Wed Jun 13 2007 - 14:11:40 CDT)
      • Re: AMBER: problem in installing amber9 Henk Meij (Wed Jun 13 2007 - 15:32:18 CDT)
      • Re: AMBER: problem in installing amber9 SOLVED! Henk Meij (Wed Jun 13 2007 - 15:43:06 CDT)
• AMBER: Question about separating bonded force Shawn yy (Fri Jun 01 2007 - 10:31:04 CDT)
  • Re: AMBER: Question about separating bonded force David A. Case (Fri Jun 01 2007 - 10:42:29 CDT)
• AMBER: equilibrium constants via MMPBSA Sean Rathlef (Fri Jun 01 2007 - 11:57:46 CDT)
  • Re: AMBER: equilibrium constants via MMPBSA Julien Michel (Fri Jun 01 2007 - 11:48:55 CDT)
  • Re: AMBER: equilibrium constants via MMPBSA David Mobley (Mon Jun 04 2007 - 08:11:25 CDT)
    • AMBER: Installation Question Chrystal Bruce (Mon Jun 04 2007 - 09:53:46 CDT)
      • Re: AMBER: Installation Question Carlos Simmerling (Mon Jun 04 2007 - 09:16:30 CDT)
      • Re: AMBER: Installation Question Jianmin Feng (Mon Jun 04 2007 - 09:33:20 CDT)
• AMBER: BUG? Does TLEAP understand SPC/E water? David Cerutti (Fri Jun 01 2007 - 12:35:02 CDT)
  • RE: AMBER: BUG? Does TLEAP understand SPC/E water? Ross Walker (Fri Jun 01 2007 - 13:23:35 CDT)
  • Re: AMBER: BUG? Does TLEAP understand SPC/E water? Thomas Steinbrecher (Fri Jun 01 2007 - 13:30:54 CDT)
  • Re: AMBER: BUG? Does TLEAP understand SPC/E water? David A. Case (Fri Jun 01 2007 - 13:37:10 CDT)
  • Re: AMBER: BUG? Does TLEAP understand SPC/E water? David A. Case (Fri Jun 01 2007 - 13:39:42 CDT)
• AMBER: RE: process_mdout.perl Ross Walker (Fri Jun 01 2007 - 14:47:04 CDT)
• AMBER: "distance" command in ptraj Roberto Veiga (Sat Jun 02 2007 - 06:19:42 CDT)
  • Re: AMBER: "distance" command in ptraj Carlos Simmerling (Sat Jun 02 2007 - 06:56:15 CDT)
  • Re: AMBER: "distance" command in ptraj Barbault Florent (Sat Jun 02 2007 - 10:28:44 CDT)
• AMBER: pdb flie format Mr Defang Ouyang (Sun Jun 03 2007 - 07:53:08 CDT)
  • Re: AMBER: pdb flie format Fenghui Fan (Sun Jun 03 2007 - 12:57:02 CDT)
  • Re: AMBER: pdb flie format David A. Case (Sun Jun 03 2007 - 22:04:58 CDT)
    • Re: AMBER: pdb flie format j j (Mon Jun 04 2007 - 16:10:32 CDT)
• AMBER: MM-GBSA: pairwise decompose energy calculation can't read snapshot_com.all.out jitrayut jitonnom (Sun Jun 03 2007 - 11:08:16 CDT)
• AMBER: Once again, "distance" command in ptraj Roberto Veiga (Mon Jun 04 2007 - 09:06:19 CDT)
  • Re: AMBER: Once again, "distance" command in ptraj Carlos Simmerling (Mon Jun 04 2007 - 09:15:22 CDT)
    • Re: AMBER: Once again, "distance" command in ptraj Roberto Veiga (Mon Jun 04 2007 - 09:20:34 CDT)
• AMBER: Once again, "distance" command in ptraj Roberto Veiga (Mon Jun 04 2007 - 11:47:01 CDT)
  • Re: AMBER: Once again, "distance" command in ptraj Thomas Cheatham (Mon Jun 04 2007 - 23:22:45 CDT)
    • Re: AMBER: Once again, "distance" command in ptraj Roberto Veiga (Tue Jun 05 2007 - 04:20:27 CDT)
• AMBER: Amber9's sander.MPI on x86_64 kkirschn_at_hamilton.edu (Mon Jun 04 2007 - 12:13:51 CDT)
  • Re: AMBER: Amber9's sander.MPI on x86_64 Thomas Steinbrecher (Mon Jun 04 2007 - 12:26:55 CDT)
  • RE: AMBER: Amber9's sander.MPI on x86_64 Ross Walker (Mon Jun 04 2007 - 13:20:43 CDT)
  • Re: AMBER: Amber9's sander.MPI on x86_64 Steve Young (Tue Jun 05 2007 - 12:23:43 CDT)
    • RE: AMBER: Amber9's sander.MPI on x86_64 Ross Walker (Wed Jun 06 2007 - 11:18:33 CDT)
• AMBER: Problem about prepare the model when running antechamber Liang, Lei (Mon Jun 04 2007 - 15:04:36 CDT)
  • RE: AMBER: Problem about prepare the model when running antechamber Ross Walker (Mon Jun 04 2007 - 15:47:24 CDT)
    • Re: AMBER: Problem about prepare the model when running antechamber Carlos Simmerling (Mon Jun 04 2007 - 15:52:23 CDT)
      • Re: AMBER: Problem about prepare the model when running antechamber Liang, Lei (Mon Jun 04 2007 - 16:03:45 CDT)
    • Re: AMBER: Problem about prepare the model when running antechamber Liang, Lei (Mon Jun 04 2007 - 16:02:04 CDT)
• AMBER: Nucleic acid analyse : base pair parameters, backbone torsions... Sophie Barbe (Mon Jun 04 2007 - 16:16:48 CDT)
  • Re: AMBER: Nucleic acid analyse : base pair parameters, backbone torsions... Cenk Andac (Mon Jun 04 2007 - 17:00:25 CDT)
  • Re: AMBER: Nucleic acid analyse : base pair parameters, backbone torsions... Thomas Cheatham (Tue Jun 05 2007 - 00:04:34 CDT)
  • Re: AMBER: Nucleic acid analyse : base pair parameters, backbone torsions... Stéphane Téletchéa (Tue Jun 05 2007 - 03:01:10 CDT)
• AMBER: problem with starting REM on amber9 priya priya (Tue Jun 05 2007 - 08:32:50 CDT)
  • Re: AMBER: problem with starting REM on amber9 Carlos Simmerling (Tue Jun 05 2007 - 08:42:29 CDT)
    • Re: AMBER: problem with starting REM on amber9 priya priya (Tue Jun 05 2007 - 09:21:12 CDT)
      • RE: AMBER: problem with starting REM on amber9 Ross Walker (Tue Jun 05 2007 - 10:36:07 CDT)
      • RE: AMBER: problem with starting REM on amber9 priya priya (Wed Jun 06 2007 - 02:07:14 CDT)
• AMBER: Ptraj hbond analysis Achuth Prabhu (Tue Jun 05 2007 - 09:51:54 CDT)
• AMBER: problem running parallel jobs Nikola Trbovic (Tue Jun 05 2007 - 15:43:02 CDT)
  • Re: AMBER: problem running parallel jobs Robert Konecny (Tue Jun 05 2007 - 16:34:44 CDT)
    • RE: AMBER: problem running parallel jobs Nikola Trbovic (Wed Jun 06 2007 - 12:31:16 CDT)
      • Re: AMBER: problem running parallel jobs Robert Duke (Wed Jun 06 2007 - 13:03:19 CDT)
      • RE: AMBER: problem running parallel jobs Nikola Trbovic (Wed Jun 06 2007 - 13:43:14 CDT)
      • Re: AMBER: problem running parallel jobs Robert Duke (Wed Jun 06 2007 - 14:08:08 CDT)
      • RE: AMBER: problem running parallel jobs Andy Purkiss-Trew (Thu Jun 07 2007 - 04:53:34 CDT)
      • RE: AMBER: problem running parallel jobs Nikola Trbovic (Thu Jun 07 2007 - 09:58:47 CDT)
• AMBER: REMD and mpiexec Steve Young (Tue Jun 05 2007 - 19:53:14 CDT)
  • RE: AMBER: REMD and mpiexec Ross Walker (Wed Jun 06 2007 - 11:06:06 CDT)
    • RE: AMBER: REMD and mpiexec Steve Young (Thu Jun 07 2007 - 12:47:37 CDT)
• AMBER: g(r) in mixtures? BJÖRN KARLSSON (Wed Jun 06 2007 - 02:56:05 CDT)
• AMBER: Restraining valence angles Abi Ghanem josephine (Wed Jun 06 2007 - 03:35:12 CDT)
  • Re: AMBER: Restraining valence angles David A. Case (Wed Jun 06 2007 - 09:49:08 CDT)
• AMBER: Reg COM restraint to DNA D.Usharani (Wed Jun 06 2007 - 04:56:00 CDT)
• AMBER: GB vs. Invacuo Energies Seth Lilavivat (Wed Jun 06 2007 - 09:38:32 CDT)
• AMBER: Hardware recommendations please Jeremy Weedon (Wed Jun 06 2007 - 11:15:16 CDT)
  • Re: AMBER: Hardware recommendations please Jeremy Weedon (Thu Jun 07 2007 - 10:24:54 CDT)
    • Re: AMBER: Hardware recommendations please David LeBard (Thu Jun 07 2007 - 13:31:21 CDT)
• AMBER: Ptraj: reading PDB files Austin B. Yongye (Wed Jun 06 2007 - 16:37:31 CDT)
  • Re: AMBER: Ptraj: reading PDB files Austin B. Yongye (Thu Jun 07 2007 - 09:16:10 CDT)
• AMBER: How to fix two angle but do umberlla sampling for distance? Catein Catherine (Thu Jun 07 2007 - 10:14:30 CDT)
  • Re: AMBER: How to fix two angle but do umberlla sampling for distance? Jerome.GOLEBIOWSKI_at_unice.fr (Thu Jun 07 2007 - 10:38:26 CDT)
    • AMBER: Potential of mean force. Catein Catherine (Fri Jun 08 2007 - 07:01:42 CDT)
      • Re: AMBER: Potential of mean force. Carlos Simmerling (Fri Jun 08 2007 - 07:08:06 CDT)
      • AMBER: Input files for the Potential of mean force. Catein Catherine (Sun Jun 10 2007 - 21:43:12 CDT)
• AMBER: Should we just vary one parameter at a time only for PMF calculations? Catein Catherine (Thu Jun 07 2007 - 10:18:51 CDT)
  • Re: AMBER: Should we just vary one parameter at a time only for PMF calculations? David A. Case (Fri Jun 08 2007 - 10:55:12 CDT)
    • AMBER: prepin for metal centre Mattias Blomberg (Mon Jun 25 2007 - 13:17:02 CDT)
      • Re: AMBER: prepin for metal centre David A. Case (Mon Jun 25 2007 - 19:43:26 CDT)
• AMBER: extracting starting structures from equilibration trajectory Nikola Trbovic (Thu Jun 07 2007 - 13:06:15 CDT)
  • Re: AMBER: extracting starting structures from equilibration trajectory Ilyas Yildirim (Thu Jun 07 2007 - 13:14:18 CDT)
    • RE: AMBER: extracting starting structures from equilibration trajectory Nikola Trbovic (Thu Jun 07 2007 - 14:33:35 CDT)
      • Re: AMBER: extracting starting structures from equilibration trajectory Carlos Simmerling (Thu Jun 07 2007 - 14:41:36 CDT)
      • RE: AMBER: extracting starting structures from equilibration trajectory Nikola Trbovic (Thu Jun 07 2007 - 14:54:35 CDT)
      • RE: AMBER: extracting starting structures from equilibration trajectory Ilyas Yildirim (Thu Jun 07 2007 - 14:54:06 CDT)
      • RE: AMBER: extracting starting structures from equilibration trajectory Ilyas Yildirim (Thu Jun 07 2007 - 14:58:19 CDT)
      • RE: AMBER: extracting starting structures from equilibration trajectory Nikola Trbovic (Thu Jun 07 2007 - 15:07:48 CDT)
• AMBER: Dihedral driver Beale, John (Thu Jun 07 2007 - 15:08:35 CDT)
  • Re: AMBER: Dihedral driver Ilyas Yildirim (Thu Jun 07 2007 - 15:16:15 CDT)
• AMBER: amber94 parameters for cholesterol paula lario (Thu Jun 07 2007 - 17:57:38 CDT)
• AMBER: Trouble on wiki about GAFF j j (Thu Jun 07 2007 - 18:29:37 CDT)
  • Re: AMBER: Trouble on wiki about GAFF David A. Case (Thu Jun 07 2007 - 22:31:12 CDT)
    • Re: AMBER: Trouble on wiki about GAFF j j (Fri Jun 08 2007 - 02:14:13 CDT)
      • Re: AMBER: Trouble on wiki about GAFF David A. Case (Fri Jun 08 2007 - 11:11:17 CDT)
• AMBER: mmpbsa decomposition error cristian (Fri Jun 08 2007 - 10:34:21 CDT)
• AMBER: Compiling openmpi/icc/icpc Francesco Pietra (Fri Jun 08 2007 - 12:27:20 CDT)
  • RE: AMBER: Compiling openmpi/icc/icpc Ross Walker (Fri Jun 08 2007 - 16:30:02 CDT)
    • RE: AMBER: Compiling openmpi/icc/icpc Francesco Pietra (Sat Jun 09 2007 - 01:04:45 CDT)
• AMBER: Taryn Hartley (Fri Jun 08 2007 - 13:39:15 CDT)
  • Re: AMBER: Carlos Simmerling (Fri Jun 08 2007 - 13:47:43 CDT)
• AMBER: RE: Need your gudiance Ross Walker (Fri Jun 08 2007 - 16:24:47 CDT)
• AMBER: RE: Need your gudiance Ross Walker (Fri Jun 08 2007 - 16:18:23 CDT)
• AMBER: antechamber/charges/conformation Francesco Pietra (Sun Jun 10 2007 - 02:02:15 CDT)
  • Re: AMBER: antechamber/charges/conformation FyD (Mon Jun 11 2007 - 03:40:11 CDT)
    • Re: AMBER: antechamber/charges/conformation Francesco Pietra (Mon Jun 11 2007 - 04:44:21 CDT)
• AMBER: amber9 compile problem hmeij_at_wesleyan.edu (Sun Jun 10 2007 - 08:58:54 CDT)
  • Re: AMBER: amber9 compile problem Mark Williamson (Sun Jun 10 2007 - 11:03:28 CDT)
    • Re: AMBER: amber9 compile problem Henk Meij (Mon Jun 11 2007 - 08:20:17 CDT)
      • Re: AMBER: amber9 compile problem Mark Williamson (Mon Jun 11 2007 - 08:28:30 CDT)
  • RE: AMBER: amber9 compile problem Ross Walker (Sun Jun 10 2007 - 12:15:18 CDT)
    • Re: AMBER: amber9 compile problem Henk Meij (Mon Jun 11 2007 - 08:51:12 CDT)
      • RE: AMBER: amber9 compile problem Ross Walker (Mon Jun 11 2007 - 11:16:58 CDT)
      • Re: AMBER: amber9 compile problem Henk Meij (Mon Jun 11 2007 - 14:04:05 CDT)
      • RE: AMBER: amber9 compile problem Ross Walker (Mon Jun 11 2007 - 17:06:30 CDT)
      • Re: AMBER: amber9 compile problem Henk Meij (Tue Jun 12 2007 - 09:13:01 CDT)
      • RE: AMBER: amber9 compile problem Ross Walker (Tue Jun 12 2007 - 12:04:54 CDT)
      • Re: AMBER: amber9 compile problem Henk Meij (Tue Jun 12 2007 - 13:30:54 CDT)
      • Re: AMBER: amber9 compile problem Robert Duke (Wed Jun 13 2007 - 13:07:37 CDT)
      • AMBER: configure question Steve Young (Thu Jun 28 2007 - 10:52:48 CDT)
      • Re: AMBER: configure question David A. Case (Thu Jun 28 2007 - 11:26:34 CDT)
      • Re: AMBER: configure question Andreas Svrcek-Seiler (Thu Jun 28 2007 - 11:49:38 CDT)
      • RE: AMBER: configure question Ross Walker (Thu Jun 28 2007 - 12:06:40 CDT)
      • Re: AMBER: configure question Robert Duke (Thu Jun 28 2007 - 17:18:53 CDT)
      • RE: AMBER: configure question Steve Young (Fri Jun 29 2007 - 09:31:19 CDT)
• AMBER: problem installing amber7 Saiful Islam (Sun Jun 10 2007 - 09:55:19 CDT)
  • Re: AMBER: problem installing amber7 Carlos Simmerling (Sun Jun 10 2007 - 10:23:10 CDT)
  • Re: AMBER: problem installing amber7 David A. Case (Sun Jun 10 2007 - 21:59:17 CDT)
• AMBER: Rdf question BJÖRN KARLSSON (Sun Jun 10 2007 - 14:51:16 CDT)
• AMBER: Installing on windows Colby C (Sun Jun 10 2007 - 18:42:25 CDT)
  • Re: AMBER: Installing on windows Carlos Simmerling (Sun Jun 10 2007 - 18:54:04 CDT)
  • Re: AMBER: Installing on windows Gustavo Seabra (Sun Jun 10 2007 - 19:28:01 CDT)
    • Re: AMBER: Installing on windows Colby C (Sun Jun 10 2007 - 20:48:30 CDT)
      • Re: AMBER: Installing on windows Gustavo Seabra (Sun Jun 10 2007 - 21:20:05 CDT)
      • Re: AMBER: Installing on windows Colby C (Sun Jun 10 2007 - 22:34:58 CDT)
      • Re: AMBER: Installing on windows David A. Case (Sun Jun 10 2007 - 23:25:28 CDT)
      • Re: AMBER: Installing on windows Colby C (Mon Jun 11 2007 - 07:56:39 CDT)
      • Re: AMBER: Installing on windows Gustavo Seabra (Mon Jun 11 2007 - 08:59:29 CDT)
      • Re: AMBER: Installing on windows Colby C (Mon Jun 11 2007 - 09:42:40 CDT)
      • Re: AMBER: Installing on windows Colby C (Mon Jun 11 2007 - 10:17:07 CDT)
      • Re: AMBER: Installing on windows Gustavo Seabra (Mon Jun 11 2007 - 10:41:05 CDT)
      • Re: AMBER: Installing on windows Colby C (Mon Jun 11 2007 - 12:14:33 CDT)
      • Re: AMBER: Installing on windows Gustavo Seabra (Mon Jun 11 2007 - 13:56:48 CDT)
  • Re: AMBER: Installing on windows Bill Ross (Mon Jun 11 2007 - 14:01:06 CDT)
  • Re: AMBER: Installing on windows Bill Ross (Mon Jun 11 2007 - 14:14:04 CDT)
• AMBER: Steve Seibold (Mon Jun 11 2007 - 12:31:47 CDT)
• AMBER: Question about MPI-IO David LeBard (Mon Jun 11 2007 - 15:58:54 CDT)
  • Re: AMBER: Question about MPI-IO Thomas Cheatham III (Mon Jun 11 2007 - 16:40:08 CDT)
    • RE: AMBER: Question about MPI-IO Ross Walker (Mon Jun 11 2007 - 18:16:02 CDT)
      • Re: AMBER: Question about MPI-IO David LeBard (Mon Jun 11 2007 - 20:59:33 CDT)
  • Re: AMBER: Question about MPI-IO Robert Duke (Mon Jun 11 2007 - 16:51:56 CDT)
• AMBER: dihedral parameters Jardas sucuriba (Mon Jun 11 2007 - 17:13:36 CDT)
  • Re: AMBER: dihedral parameters David A. Case (Tue Jun 12 2007 - 14:35:57 CDT)
  • RE: AMBER: dihedral parameters Jardas sucuriba (Tue Jun 12 2007 - 21:18:12 CDT)
• AMBER: xleap on cygwin Colby C (Mon Jun 11 2007 - 20:59:17 CDT)
  • Re: AMBER: xleap on cygwin Wei Chen (Tue Jun 12 2007 - 08:06:45 CDT)
    • Re: AMBER: xleap on cygwin Colby C (Tue Jun 12 2007 - 11:34:21 CDT)
      • Re: AMBER: xleap on cygwin Steven Winfield (Tue Jun 12 2007 - 11:45:09 CDT)
      • Re: AMBER: xleap on cygwin Colby C (Tue Jun 12 2007 - 19:42:52 CDT)
• AMBER: NMR vs. X-ray structures Sally Pias (Tue Jun 12 2007 - 00:22:19 CDT)
  • Re: AMBER: NMR vs. X-ray structures Marc Baaden (Tue Jun 12 2007 - 00:51:21 CDT)
  • Re: AMBER: NMR vs. X-ray structures Carlos Simmerling (Tue Jun 12 2007 - 05:57:12 CDT)
• AMBER: Amber: Number density profile, pucker..reg Praveena Gopal (Tue Jun 12 2007 - 01:17:37 CDT)
• AMBER: building water box with desired number of molecules Vijay Manickam Achari (Tue Jun 12 2007 - 02:33:21 CDT)
  • Re: AMBER: building water box with desired number of molecules gurpreet singh (Tue Jun 12 2007 - 04:09:10 CDT)
• AMBER: Internal dielectric and MMPBSA Ileana Stoica (Tue Jun 12 2007 - 06:32:17 CDT)
• AMBER: Metal ions in GBSA Wei Chen (Tue Jun 12 2007 - 08:13:36 CDT)
• AMBER: Using position restraints during constant pressure equilibration priya priya (Tue Jun 12 2007 - 08:17:44 CDT)
• AMBER: MM-PBSA calcuation for drug dna complex in 2:1 ratio saurabh agrawal (Tue Jun 12 2007 - 08:25:09 CDT)
• AMBER: Steve Seibold (Tue Jun 12 2007 - 11:21:15 CDT)
  • Re: AMBER: David A. Case (Tue Jun 12 2007 - 14:29:06 CDT)
• RE: AMBER: Atom types Taryn Hartley (Tue Jun 12 2007 - 12:25:30 CDT)
  • Re: AMBER: Atom types Melinda Layten (Tue Jun 12 2007 - 13:16:34 CDT)
• AMBER: box size bomb in QMMM calculation M. L. Dodson (Tue Jun 12 2007 - 14:46:00 CDT)
  • RE: AMBER: box size bomb in QMMM calculation Ross Walker (Tue Jun 12 2007 - 17:29:26 CDT)
    • Re: AMBER: box size bomb in QMMM calculation M. L. Dodson (Tue Jun 12 2007 - 18:23:50 CDT)
      • RE: AMBER: box size bomb in QMMM calculation Ross Walker (Tue Jun 12 2007 - 22:39:35 CDT)
      • Re: AMBER: box size bomb in QMMM calculation M. L. Dodson (Wed Jun 13 2007 - 04:43:52 CDT)
• AMBER: frcmod Brooke Elizabeth Adams (Tue Jun 12 2007 - 15:38:50 CDT)
  • Re: AMBER: frcmod David A. Case (Tue Jun 12 2007 - 16:34:35 CDT)
    • Re: AMBER: frcmod Brooke Elizabeth Adams (Fri Jun 15 2007 - 14:11:00 CDT)
      • Re: AMBER: frcmod David A. Case (Fri Jun 15 2007 - 16:43:48 CDT)
      • Re: AMBER: frcmod Brooke Elizabeth Adams (Mon Jun 18 2007 - 14:06:34 CDT)
      • Re: AMBER: frcmod David A. Case (Mon Jun 18 2007 - 14:37:52 CDT)
      • Re: AMBER: frcmod Brooke Elizabeth Adams (Mon Jun 18 2007 - 15:02:13 CDT)
• AMBER: metal ions Wei Chen (Tue Jun 12 2007 - 16:20:26 CDT)
• AMBER: Installing amber9 in IBM P5? Du, Shiyu (Tue Jun 12 2007 - 21:09:34 CDT)
  • RE: AMBER: Installing amber9 in IBM P5? Ross Walker (Tue Jun 12 2007 - 22:34:33 CDT)
    • Re: AMBER: Installing amber9 in IBM P5? Du, Shiyu (Wed Jun 13 2007 - 00:01:56 CDT)
      • Re: AMBER: Installing amber9 in IBM P5? Jed W Pitera (Wed Jun 13 2007 - 10:04:31 CDT)
      • RE: AMBER: Installing amber9 in IBM P5? Ross Walker (Wed Jun 13 2007 - 10:17:45 CDT)
      • Re: AMBER: Installing amber9 in IBM P5? Du, Shiyu (Wed Jun 13 2007 - 12:52:11 CDT)
      • Re: AMBER: Installing amber9 in IBM P5? Du, Shiyu (Wed Jun 13 2007 - 16:20:37 CDT)
      • RE: AMBER: Installing amber9 in IBM P5? Ross Walker (Wed Jun 13 2007 - 18:39:11 CDT)
• AMBER: hydrogen bond Guillaume Renvez (Wed Jun 13 2007 - 03:49:22 CDT)
• AMBER: problems using TIP4PBOX john chen (Wed Jun 13 2007 - 05:53:30 CDT)
  • Re: AMBER: problems using TIP4PBOX David A. Case (Wed Jun 13 2007 - 07:26:11 CDT)
  • Re: AMBER: problems using TIP4PBOX Andy Purkiss-Trew (Wed Jun 13 2007 - 07:36:14 CDT)
• AMBER: [Fwd: Tr: H bonds] Guillaume Renvez (Wed Jun 13 2007 - 07:37:20 CDT)
• AMBER: Hbonds mbrut_at_laas.fr (Wed Jun 13 2007 - 07:54:52 CDT)
  • Re: AMBER: Hbonds David A. Case (Wed Jun 13 2007 - 15:50:11 CDT)
• AMBER: S-nitrocysteine Anthony Cruz Balberdi (Wed Jun 13 2007 - 08:12:00 CDT)
  • Re: AMBER: S-nitrocysteine FyD (Wed Jun 13 2007 - 16:44:59 CDT)
• AMBER: g(r) khn _ (Wed Jun 13 2007 - 11:43:25 CDT)
• AMBER: SANDER error: 'angles are not correct' Fred Baba (Wed Jun 13 2007 - 16:47:14 CDT)
• THANKS -- Re: AMBER: NMR vs. X-ray structures Sally Pias (Wed Jun 13 2007 - 23:33:06 CDT)
• AMBER: (no subject) Catein Catherine (Thu Jun 14 2007 - 00:54:28 CDT)
  • AMBER: spring constant for restraint Catein Catherine (Thu Jun 14 2007 - 04:29:17 CDT)
  • Re: AMBER: (no subject) Franck Vendeix (Thu Jun 14 2007 - 08:32:54 CDT)
  • Re: AMBER: (no subject) Franck Vendeix (Thu Jun 14 2007 - 08:32:54 CDT)
• AMBER: Hbonds mbrut_at_laas.fr (Thu Jun 14 2007 - 02:45:25 CDT)
  • Re: AMBER: Hbonds David A. Case (Fri Jun 15 2007 - 13:06:26 CDT)
• AMBER: ff99 vs ff99SB for RNA Brent Krueger (Thu Jun 14 2007 - 09:05:12 CDT)
  • Re: AMBER: ff99 vs ff99SB for RNA Carlos Simmerling (Thu Jun 14 2007 - 09:57:02 CDT)
    • Re: AMBER: ff99 vs ff99SB for RNA j j (Thu Jun 14 2007 - 10:30:21 CDT)
      • Re: AMBER: ff99 vs ff99SB for RNA Carlos Simmerling (Thu Jun 14 2007 - 11:03:03 CDT)
  • Re: AMBER: ff99 vs ff99SB for RNA Thomas Cheatham III (Thu Jun 14 2007 - 11:17:46 CDT)
• AMBER: [ProblemSolved]Re: SANDER error: 'angles are not correct' Fred Baba (Thu Jun 14 2007 - 12:08:47 CDT)
• AMBER: Compile openmpi Francesco Pietra (Thu Jun 14 2007 - 12:11:02 CDT)
• AMBER: umbrella sampling dihedral restraint question Cen Gao (Thu Jun 14 2007 - 15:33:51 CDT)
  • Re: AMBER: umbrella sampling dihedral restraint question David A. Case (Mon Jun 18 2007 - 00:46:16 CDT)
• AMBER: pair distribution function khn _ (Thu Jun 14 2007 - 18:20:47 CDT)
  • Re: AMBER: pair distribution function Thomas Cheatham III (Thu Jun 14 2007 - 18:41:51 CDT)
    • Re: AMBER: pair distribution function khn _ (Sun Jun 17 2007 - 03:25:56 CDT)
• AMBER: isolated NTP Steve Seibold (Fri Jun 15 2007 - 09:07:16 CDT)
  • Re: AMBER: isolated NTP David A. Case (Mon Jun 18 2007 - 00:40:29 CDT)
    • RE: AMBER: isolated NTP Steve Seibold (Mon Jun 18 2007 - 07:20:21 CDT)
      • Re: AMBER: isolated NTP David A. Case (Mon Jun 18 2007 - 10:39:06 CDT)
• AMBER: Amber Installation Error Joe Nolan (Fri Jun 15 2007 - 10:58:00 CDT)
  • Re: AMBER: Amber Installation Error David A. Case (Fri Jun 15 2007 - 13:56:29 CDT)
  • RE: AMBER: Amber Installation Error Ross Walker (Fri Jun 15 2007 - 14:25:28 CDT)
    • RE: AMBER: Amber Installation Error Joe Nolan (Mon Jun 18 2007 - 09:34:12 CDT)
      • Re: AMBER: Amber Installation Error Mark Williamson (Mon Jun 18 2007 - 10:35:18 CDT)
      • Re: AMBER: Amber Installation Error Joe Nolan (Mon Jun 18 2007 - 10:52:16 CDT)
      • Re: AMBER: Amber Installation Error Mark Williamson (Mon Jun 18 2007 - 13:19:27 CDT)
      • Re: AMBER: Amber Installation Error Joe Nolan (Mon Jun 18 2007 - 14:08:48 CDT)
      • Re: AMBER: Amber Installation Error David A. Case (Mon Jun 18 2007 - 12:52:05 CDT)
• AMBER: Saving a structuring from trajectory Seth Lilavivat (Fri Jun 15 2007 - 13:42:12 CDT)
  • Re: AMBER: Saving a structuring from trajectory Ilyas Yildirim (Fri Jun 15 2007 - 13:59:50 CDT)
• AMBER: .lib files Taryn Hartley (Fri Jun 15 2007 - 14:42:16 CDT)
  • Re: AMBER: .lib files Ilyas Yildirim (Fri Jun 15 2007 - 14:50:34 CDT)
• AMBER: performance with implicit solvent Kijeong Kwac (Fri Jun 15 2007 - 15:02:49 CDT)
  • Re: AMBER: performance with implicit solvent Carlos Simmerling (Fri Jun 15 2007 - 15:17:28 CDT)
  • Re: AMBER: performance with implicit solvent David A. Case (Fri Jun 15 2007 - 15:18:31 CDT)
• AMBER: PDB problems Taryn Hartley (Fri Jun 15 2007 - 15:17:13 CDT)
  • Re: AMBER: PDB problems David A. Case (Fri Jun 15 2007 - 15:24:44 CDT)
  • Re: AMBER: PDB problems Ilyas Yildirim (Fri Jun 15 2007 - 17:30:45 CDT)
• Re: AMBER: Saving a structuring from trajectory Bill Ross (Fri Jun 15 2007 - 15:43:23 CDT)
• AMBER: MMPBSA-nmode .top question Matthew Danielson (Fri Jun 15 2007 - 16:11:52 CDT)
  • Re: AMBER: MMPBSA-nmode .top question David A. Case (Mon Jun 18 2007 - 00:35:39 CDT)
• AMBER: Energy outputs in TI Approach Ilyas Yildirim (Sat Jun 16 2007 - 00:03:26 CDT)
  • Re: AMBER: Energy outputs in TI Approach David A. Case (Sat Jun 16 2007 - 10:19:23 CDT)
• AMBER: distance scan Miguel Ferreira (Sat Jun 16 2007 - 05:16:15 CDT)
  • Re: AMBER: distance scan David A. Case (Sat Jun 16 2007 - 10:21:05 CDT)
• AMBER: distance scan Miguel Ferreira (Sat Jun 16 2007 - 05:25:59 CDT)
• AMBER: implementation of GB model in AMBER john chen (Sun Jun 17 2007 - 07:49:24 CDT)
  • Re: AMBER: implementation of GB model in AMBER Carlos Simmerling (Sun Jun 17 2007 - 07:58:11 CDT)
    • AMBER: explanation to edit and use the script Syed Tarique Moin (Sun Jun 17 2007 - 23:26:38 CDT)
      • Re: AMBER: explanation to edit and use the script Syed Tarique Moin (Wed Jun 20 2007 - 04:33:15 CDT)
• AMBER: error due to exceeding left-hand side digital numbers in restart output Cenk Andac (Mon Jun 18 2007 - 03:09:36 CDT)
  • Re: AMBER: error due to exceeding left-hand side digital numbers in restart output David A. Case (Mon Jun 18 2007 - 13:06:16 CDT)
• AMBER: problem with running rem on amber9 priya priya (Mon Jun 18 2007 - 07:41:02 CDT)
  • Re: AMBER: problem with running rem on amber9 Carlos Simmerling (Mon Jun 18 2007 - 07:46:29 CDT)
    • Re: AMBER: problem with running rem on amber9 priya priya (Mon Jun 18 2007 - 07:59:38 CDT)
    • Re: AMBER: problem with running rem on amber9 priya priya (Mon Jun 18 2007 - 10:02:55 CDT)
      • Re: AMBER: problem with running rem on amber9 Carlos Simmerling (Mon Jun 18 2007 - 10:10:37 CDT)
      • Re: AMBER: problem with running rem on amber9 priya priya (Mon Jun 18 2007 - 10:25:37 CDT)
  • Re: AMBER: problem with running rem on amber9 David A. Case (Mon Jun 18 2007 - 13:22:01 CDT)
• AMBER: Charge not integral. Head-to-tail cyclic peptides Giacomo Bastianelli (Mon Jun 18 2007 - 08:55:46 CDT)
  • Re: AMBER: Charge not integral. Head-to-tail cyclic peptides Melinda Layten (Mon Jun 18 2007 - 09:28:57 CDT)
  • Re: AMBER: Charge not integral. Head-to-tail cyclic peptides Laurent Chiche (Mon Jun 18 2007 - 09:37:53 CDT)
• Re: AMBER: problem with running rem on amber9 (NOT A REMD PROBLEM) Carlos Simmerling (Mon Jun 18 2007 - 10:31:19 CDT)
• AMBER: shell model MD Stern, Julie (Mon Jun 18 2007 - 11:48:54 CDT)
  • Re: AMBER: shell model MD Carlos Simmerling (Mon Jun 18 2007 - 11:53:56 CDT)
• AMBER: Questions about how ptraj calculates solvent shells Roberto Veiga (Mon Jun 18 2007 - 13:46:59 CDT)
• AMBER: unres Carra, Claudio (JSC-SK)[USRA] (Mon Jun 18 2007 - 15:55:20 CDT)
  • Re: AMBER: unres Piotr Cieplak (Mon Jun 18 2007 - 19:00:47 CDT)
• AMBER: H bond Guillaume Renvez (Tue Jun 19 2007 - 03:18:45 CDT)
  • Re: AMBER: H bond Carlos Simmerling (Tue Jun 19 2007 - 06:24:27 CDT)
• AMBER: Re: Strange shape in my MD simulations Pavan G (Tue Jun 19 2007 - 07:47:58 CDT)
  • Re: AMBER: Re: Strange shape in my MD simulations Adrian Roitberg (Tue Jun 19 2007 - 07:57:07 CDT)
    • Re: AMBER: Re: Strange shape in my MD simulations Pavan G (Tue Jun 19 2007 - 09:09:48 CDT)
      • Re: AMBER: Re: Strange shape in my MD simulations Adrian Roitberg (Tue Jun 19 2007 - 09:16:17 CDT)
      • Re: AMBER: Re: Strange shape in my MD simulations Pavan G (Tue Jun 19 2007 - 09:34:45 CDT)
      • RE: AMBER: Re: Strange shape in my MD simulations Ross Walker (Tue Jun 19 2007 - 10:42:08 CDT)
      • Re: AMBER: Re: Strange shape in my MD simulations Pavan G (Tue Jun 19 2007 - 13:37:18 CDT)
  • Re: AMBER: Re: Strange shape in my MD simulations gurpreet singh (Wed Jun 20 2007 - 02:58:03 CDT)
    • RE: AMBER: Re: Strange shape in my MD simulations Ross Walker (Wed Jun 20 2007 - 10:27:37 CDT)
• AMBER: How to add semi-experience parameter in divcon? clarkzhy (Tue Jun 19 2007 - 09:23:04 CDT)
  • RE: AMBER: How to add semi-experience parameter in divcon? Ross Walker (Tue Jun 19 2007 - 10:44:59 CDT)
  • Re: AMBER: How to add semi-experience parameter in divcon? Seth Hayik (Tue Jun 19 2007 - 11:15:03 CDT)
• AMBER: Reply regarding PCA with ptraj and IED Steve Spronk (Tue Jun 19 2007 - 16:00:37 CDT)
  • Re: AMBER: Reply regarding PCA with ptraj and IED Hannes Loeffler (Tue Jun 19 2007 - 21:43:21 CDT)
• AMBER: problems in adding ACE and NME group backy (Wed Jun 20 2007 - 04:09:26 CDT)
  • Re: AMBER: problems in adding ACE and NME group Carlos Simmerling (Wed Jun 20 2007 - 06:28:46 CDT)
    • Re: AMBER: problems in adding ACE and NME group backy (Wed Jun 20 2007 - 08:15:25 CDT)
      • Re: AMBER: problems in adding ACE and NME group Carlos Simmerling (Wed Jun 20 2007 - 10:37:45 CDT)
      • Re: AMBER: problems in adding ACE and NME group David A. Case (Wed Jun 20 2007 - 10:41:43 CDT)
      • Re: AMBER: problems in adding ACE and NME group backy (Wed Jun 20 2007 - 22:54:47 CDT)
      • Re: AMBER: problems in adding ACE and NME group backy (Wed Jun 20 2007 - 23:00:39 CDT)
      • Re: AMBER: problems in adding ACE and NME group Carlos Simmerling (Wed Jun 20 2007 - 23:28:30 CDT)
      • Re: AMBER: problems in adding ACE and NME group backy (Thu Jun 21 2007 - 00:00:12 CDT)
      • Re: AMBER: problems in adding ACE and NME group David A. Case (Thu Jun 21 2007 - 00:10:43 CDT)
      • Re: AMBER: problems in adding ACE and NME group backy (Thu Jun 21 2007 - 00:45:56 CDT)
      • Re: AMBER: problems in adding ACE and NME group backy (Mon Jun 25 2007 - 08:21:47 CDT)
      • Re: AMBER: problems in adding ACE and NME group priya priya (Mon Jun 25 2007 - 09:01:52 CDT)
      • Re: AMBER: problems in adding ACE and NME group Melinda Layten (Tue Jun 26 2007 - 15:02:12 CDT)
      • Re: AMBER: problems in adding ACE and NME group backy (Wed Jun 27 2007 - 01:55:47 CDT)
      • Re: AMBER: problems in adding ACE and NME group David A. Case (Wed Jun 27 2007 - 11:19:51 CDT)
      • Re: AMBER: problems in adding ACE and NME group backy (Thu Jun 28 2007 - 01:13:02 CDT)
      • Re: AMBER: problems in adding ACE and NME group David A. Case (Thu Jun 28 2007 - 11:04:52 CDT)
      • Re: AMBER: problems in adding ACE and NME group Melinda Layten (Wed Jun 27 2007 - 11:01:00 CDT)
      • RE: AMBER: problems in adding ACE and NME group Ross Walker (Wed Jun 27 2007 - 11:02:10 CDT)
  • RE: AMBER: problems in adding ACE and NME group Gustavo Seabra (Wed Jun 20 2007 - 09:14:26 CDT)
• AMBER: Re: Fwd: joshua j j (Wed Jun 20 2007 - 06:27:43 CDT)
  • Re: AMBER: Re: Fwd: joshua j j (Wed Jun 20 2007 - 08:01:00 CDT)
• AMBER: 5 Ligands and 1 Protein Colby C (Wed Jun 20 2007 - 13:07:33 CDT)
  • Re: AMBER: 5 Ligands and 1 Protein David A. Case (Wed Jun 20 2007 - 18:46:23 CDT)
    • Re: AMBER: 5 Ligands and 1 Protein Colby C (Wed Jun 20 2007 - 19:10:22 CDT)
      • Re: AMBER: 5 Ligands and 1 Protein David A. Case (Wed Jun 20 2007 - 19:16:27 CDT)
      • Re: AMBER: 5 Ligands and 1 Protein Colby C (Wed Jun 20 2007 - 21:01:40 CDT)
      • Re: AMBER: 5 Ligands and 1 Protein David A. Case (Thu Jun 21 2007 - 00:02:20 CDT)
      • Re: AMBER: 5 Ligands and 1 Protein Colby C (Thu Jun 21 2007 - 16:45:46 CDT)
      • Re: AMBER: 5 Ligands and 1 Protein David A. Case (Fri Jun 22 2007 - 10:05:28 CDT)
  • Re: AMBER: 5 Ligands and 1 Protein Scott Brozell (Wed Jun 20 2007 - 19:25:05 CDT)
• AMBER: Algorithm for integration of equations of motion Roberto Veiga (Wed Jun 20 2007 - 13:55:45 CDT)
  • RE: AMBER: Algorithm for integration of equations of motion Ross Walker (Wed Jun 20 2007 - 14:38:36 CDT)
• AMBER: sander core dumped during minimization zgleo (Wed Jun 20 2007 - 20:51:04 CDT)
  • Re: AMBER: sander core dumped during minimization David A. Case (Thu Jun 21 2007 - 00:16:11 CDT)
• AMBER: set up system solution with 3 different components, each with multiple copies Nicolas Lux Fawzi (Thu Jun 21 2007 - 10:56:57 CDT)
  • Re: AMBER: set up system solution with 3 different components, each with multiple copies David A. Case (Tue Jun 26 2007 - 10:08:50 CDT)
    • Re: AMBER: set up system solution with 3 different components, each with multiple copies Nicolas Lux Fawzi (Tue Jun 26 2007 - 10:16:54 CDT)
      • Re: AMBER: set up system solution with 3 different components, each with multiple copies M. L. Dodson (Tue Jun 26 2007 - 10:27:41 CDT)
• AMBER: ptray segfault: vector out Nicolas Lux Fawzi (Thu Jun 21 2007 - 14:19:49 CDT)
• To Mr. Ross Walker Re: RE: AMBER: How to add semi-experience parameter in divcon? clarkzhy (Thu Jun 21 2007 - 20:19:23 CDT)
• AMBER: testing protein stability Sally Pias (Fri Jun 22 2007 - 00:24:58 CDT)
  • Re: AMBER: testing protein stability Carlos Simmerling (Fri Jun 22 2007 - 06:06:16 CDT)
    • Re: AMBER: testing protein stability Sally Pias (Fri Jun 22 2007 - 16:57:27 CDT)
• AMBER: Limitation in number of atoms/residues Sascha Rehm (Fri Jun 22 2007 - 05:47:35 CDT)
  • Re: AMBER: Limitation in number of atoms/residues Robert Duke (Fri Jun 22 2007 - 07:37:30 CDT)
    • Re: AMBER: Limitation in number of atoms/residues Sascha Rehm (Fri Jun 22 2007 - 08:46:05 CDT)
• AMBER: radius of gyration priya priya (Fri Jun 22 2007 - 10:10:36 CDT)
  • Re: AMBER: radius of gyration Carlos Simmerling (Fri Jun 22 2007 - 10:14:19 CDT)
    • Re: AMBER: radius of gyration priya priya (Fri Jun 22 2007 - 10:23:03 CDT)
      • Re: AMBER: radius of gyration Carlos Simmerling (Fri Jun 22 2007 - 10:40:27 CDT)
      • Re: AMBER: radius of gyration Thomas Cheatham III (Fri Jun 22 2007 - 11:30:01 CDT)
      • Re: AMBER: radius of gyration priya priya (Mon Jun 25 2007 - 07:59:39 CDT)
      • Re: AMBER: radius of gyration priya priya (Mon Jun 25 2007 - 07:57:39 CDT)
      • Re: AMBER: radius of gyration priya priya (Fri Jun 29 2007 - 04:16:24 CDT)
      • Re: AMBER: radius of gyration Carlos Simmerling (Fri Jun 29 2007 - 06:54:28 CDT)
      • Re: AMBER: radius of gyration priya priya (Fri Jun 29 2007 - 08:14:49 CDT)
• AMBER: remd/rdc's McElheny, Dan (Fri Jun 22 2007 - 13:04:59 CDT)
  • Re: AMBER: remd/rdc's Carlos Simmerling (Sat Jun 23 2007 - 07:43:21 CDT)
  • Re: AMBER: remd/rdc's David A. Case (Sat Jun 23 2007 - 12:44:17 CDT)
    • Re: AMBER: remd/rdc's McElheny, Dan (Mon Jun 25 2007 - 11:12:20 CDT)
      • Re: AMBER: remd/rdc's David A. Case (Thu Jun 28 2007 - 10:37:44 CDT)
    • Re: AMBER: remd/rdc's McElheny, Dan (Mon Jun 25 2007 - 11:12:20 CDT)
• AMBER: radial distribution function in ptraj khn _ (Fri Jun 22 2007 - 20:25:05 CDT)
• AMBER: SPCFW water: angle problems in leap Thomas Hofer (Sat Jun 23 2007 - 11:02:32 CDT)
  • RE: AMBER: SPCFW water: angle problems in leap Ross Walker (Sat Jun 23 2007 - 11:47:25 CDT)
• AMBER: Antechamber--Boron Parameters brmeher_at_iitg.ernet.in (Mon Jun 25 2007 - 05:04:30 CDT)
  • Re: AMBER: Antechamber--Boron Parameters David A. Case (Mon Jun 25 2007 - 20:08:48 CDT)
• AMBER: how to calculate energy of the peptide priya priya (Mon Jun 25 2007 - 08:56:54 CDT)
• AMBER: environment variables Francesco Pietra (Mon Jun 25 2007 - 10:51:05 CDT)
  • RE: AMBER: environment variables Ross Walker (Mon Jun 25 2007 - 14:43:39 CDT)
• AMBER: RDF of pure chloroform BJÖRN KARLSSON (Mon Jun 25 2007 - 10:56:19 CDT)
• AMBER: sander MPI fails included tests Sergio Wong (Mon Jun 25 2007 - 12:20:55 CDT)
  • RE: AMBER: sander MPI fails included tests Ross Walker (Mon Jun 25 2007 - 13:17:34 CDT)
    • RE: AMBER: sander MPI fails included tests Sergio Wong (Mon Jun 25 2007 - 14:06:21 CDT)
      • RE: AMBER: sander MPI fails included tests Ross Walker (Mon Jun 25 2007 - 21:08:22 CDT)
      • RE: AMBER: sander MPI fails included tests Sergio Wong (Tue Jun 26 2007 - 15:58:04 CDT)
      • RE: AMBER: sander MPI fails included tests Ross Walker (Tue Jun 26 2007 - 17:06:30 CDT)
      • RE: AMBER: sander MPI fails included tests Sergio Wong (Thu Jun 28 2007 - 14:14:02 CDT)
      • RE: AMBER: sander MPI fails included tests Ross Walker (Thu Jun 28 2007 - 16:06:19 CDT)
      • RE: AMBER: sander MPI fails included tests Sergio Wong (Thu Jun 28 2007 - 19:05:08 CDT)
      • RE: AMBER: sander MPI fails included tests Ross Walker (Thu Jun 28 2007 - 23:17:50 CDT)
• AMBER: Re: ff02 and ff03 parameters Pavan G (Mon Jun 25 2007 - 14:34:30 CDT)
  • Re: AMBER: Re: ff02 and ff03 parameters Carlos Simmerling (Mon Jun 25 2007 - 18:28:02 CDT)
• AMBER: PMF calculation Jena M (Mon Jun 25 2007 - 14:59:02 CDT)
  • Re: AMBER: PMF calculation David A. Case (Mon Jun 25 2007 - 19:47:25 CDT)
• AMBER: Simulated Annealing Joseph Maxwell (Mon Jun 25 2007 - 18:28:14 CDT)
  • Re: AMBER: Simulated Annealing David A. Case (Mon Jun 25 2007 - 19:34:38 CDT)
  • RE: AMBER: Simulated Annealing Hayden Eastwood (Tue Jun 26 2007 - 04:14:57 CDT)
    • Re: AMBER: Simulated Annealing Carlos Simmerling (Tue Jun 26 2007 - 06:16:25 CDT)
      • AMBER: Offending restraints???? saccenti_at_cerm.unifi.it (Tue Jun 26 2007 - 08:48:21 CDT)
      • Re: AMBER: Offending restraints???? Carlos Simmerling (Tue Jun 26 2007 - 08:59:24 CDT)
      • Re: AMBER: Offending restraints???? saccenti_at_cerm.unifi.it (Tue Jun 26 2007 - 09:34:05 CDT)
      • Re: AMBER: Offending restraints???? Carlos Simmerling (Tue Jun 26 2007 - 10:33:47 CDT)
      • Re: AMBER: Offending restraints???? saccenti_at_cerm.unifi.it (Tue Jun 26 2007 - 10:36:44 CDT)
      • Re: AMBER: Offending restraints???? saccenti_at_cerm.unifi.it (Tue Jun 26 2007 - 10:36:44 CDT)
      • RE: AMBER: Offending restraints???? Gustavo Seabra (Tue Jun 26 2007 - 09:09:18 CDT)
      • RE: AMBER: Offending restraints???? saccenti_at_cerm.unifi.it (Tue Jun 26 2007 - 09:23:45 CDT)
      • Re: AMBER: Offending restraints???? David A. Case (Tue Jun 26 2007 - 10:27:18 CDT)
      • Re: AMBER: Offending restraints???? saccenti_at_cerm.unifi.it (Tue Jun 26 2007 - 10:34:37 CDT)
      • Re: AMBER: Offending restraints???? David A. Case (Tue Jun 26 2007 - 11:37:21 CDT)
      • Re: AMBER: Offending restraints???? saccenti_at_cerm.unifi.it (Wed Jun 27 2007 - 04:33:16 CDT)
• AMBER: PBSA Error Pankaj R. Daga (Tue Jun 26 2007 - 09:03:41 CDT)
• AMBER: rst overflow for implicit REMD In Hee Park (Tue Jun 26 2007 - 09:37:45 CDT)
  • Re: AMBER: rst overflow for implicit REMD David A. Case (Tue Jun 26 2007 - 10:28:28 CDT)
    • Re: AMBER: rst overflow for implicit REMD Carlos Simmerling (Tue Jun 26 2007 - 10:35:47 CDT)
• AMBER: $AMBERHOME on PATH Francesco Pietra (Tue Jun 26 2007 - 12:38:35 CDT)
  • Re: AMBER: $AMBERHOME on PATH David A. Case (Tue Jun 26 2007 - 13:01:02 CDT)
    • Re: AMBER: $AMBERHOME on PATH Francesco Pietra (Tue Jun 26 2007 - 15:15:11 CDT)
• AMBER: "FATAL: Atom xxx does not have a type." Fred Baba (Tue Jun 26 2007 - 12:59:51 CDT)
  • Re: AMBER: "FATAL: Atom xxx does not have a type." David A. Case (Tue Jun 26 2007 - 17:20:21 CDT)
• AMBER: Unexpected Failure in XLeap Jason Brown (Tue Jun 26 2007 - 13:45:14 CDT)
  • Re: AMBER: Unexpected Failure in XLeap David A. Case (Tue Jun 26 2007 - 15:47:30 CDT)
• AMBER: Does Chimera support AMBER file formats? Ilyas Yildirim (Tue Jun 26 2007 - 18:58:56 CDT)
  • Re: AMBER: Does Chimera support AMBER file formats? Mingfeng Yang (Tue Jun 26 2007 - 19:12:53 CDT)
• Fwd: Re: AMBER: $AMBERHOME on PATH Francesco Pietra (Wed Jun 27 2007 - 09:30:09 CDT)
• Fwd: Re: AMBER: $AMBERHOME on PATH & compilations Francesco Pietra (Wed Jun 27 2007 - 11:10:38 CDT)
  • Re: Fwd: Re: AMBER: $AMBERHOME on PATH & compilations David A. Case (Wed Jun 27 2007 - 12:06:38 CDT)
• Fwd: Re: AMBER: $AMBERHOME on PATH Francesco Pietra (Wed Jun 27 2007 - 09:59:02 CDT)
  • RE: Re: AMBER: $AMBERHOME on PATH Ross Walker (Wed Jun 27 2007 - 11:11:34 CDT)
    • RE: Re: AMBER: $AMBERHOME on PATH Francesco Pietra (Thu Jun 28 2007 - 09:40:09 CDT)
      • RE: Re: AMBER: $AMBERHOME on PATH Ross Walker (Thu Jun 28 2007 - 10:33:20 CDT)
      • Re: RE: Re: AMBER: $AMBERHOME on PATH Alexandar T Tzanov (Thu Jun 28 2007 - 10:39:57 CDT)
      • Re: RE: Re: AMBER: $AMBERHOME on PATH David A. Case (Thu Jun 28 2007 - 11:00:55 CDT)
      • RE: Problems with Ifort 9.1.047 on Altix (Was: RE: Re: AMBER: $AMBERHOME on PATH) Ross Walker (Thu Jun 28 2007 - 11:53:44 CDT)
      • AMBER: Re: RE: Problems with Ifort 9.1.047 on Altix (Was: RE: Re: AMBER: $AMBERHOME on PATH) Alexandar T Tzanov (Fri Jun 29 2007 - 09:48:13 CDT)
      • RE: Re: AMBER: $AMBERHOME on PATH Francesco Pietra (Thu Jun 28 2007 - 12:12:43 CDT)
      • RE: Re: AMBER: $AMBERHOME on PATH Ross Walker (Thu Jun 28 2007 - 12:58:09 CDT)
      • Re: Re: AMBER: $AMBERHOME on PATH David A. Case (Thu Jun 28 2007 - 13:37:58 CDT)
      • RE: Re: AMBER: $AMBERHOME on PATH Francesco Pietra (Thu Jun 28 2007 - 15:01:11 CDT)
      • RE: Re: AMBER: $AMBERHOME on PATH Francesco Pietra (Thu Jun 28 2007 - 15:55:53 CDT)
• AMBER: bugfix.all Francesco Pietra (Wed Jun 27 2007 - 15:26:15 CDT)
  • Re: AMBER: bugfix.all Carlos Simmerling (Wed Jun 27 2007 - 15:52:15 CDT)
  • Re: AMBER: bugfix.all M. L. Dodson (Wed Jun 27 2007 - 15:52:07 CDT)
    • Re: AMBER: bugfix.all Francesco Pietra (Thu Jun 28 2007 - 01:14:33 CDT)
  • Re: AMBER: bugfix.all David A. Case (Wed Jun 27 2007 - 15:55:52 CDT)
  • RE: AMBER: bugfix.all Ross Walker (Wed Jun 27 2007 - 16:19:32 CDT)
• AMBER: how to stop ptraj atom renumbering Russell Green (Wed Jun 27 2007 - 15:25:53 CDT)
• AMBER: Math libraries Francesco Pietra (Thu Jun 28 2007 - 04:56:45 CDT)
  • Re: AMBER: Math libraries Robert Duke (Thu Jun 28 2007 - 07:15:07 CDT)
  • Re: AMBER: Math libraries Andreas Svrcek-Seiler (Thu Jun 28 2007 - 11:27:28 CDT)
    • Re: AMBER: Math libraries Francesco Pietra (Thu Jun 28 2007 - 15:12:28 CDT)
• AMBER: conversion of Macromodel substructure format to .frcmod file brmeher_at_iitg.ernet.in (Thu Jun 28 2007 - 05:24:24 CDT)
• AMBER: Improving pmemd parallel scaling Alessandro Nascimento (Thu Jun 28 2007 - 11:07:15 CDT)
  • Re: AMBER: Improving pmemd parallel scaling Mark Williamson (Thu Jun 28 2007 - 11:19:06 CDT)
  • Re: AMBER: Improving pmemd parallel scaling Robert Duke (Thu Jun 28 2007 - 17:27:24 CDT)
• AMBER: Problem with leaprc yen li (Thu Jun 28 2007 - 22:27:52 CDT)
  • Re: AMBER: Problem with leaprc David A. Case (Fri Jun 29 2007 - 10:47:51 CDT)
    • Re: AMBER: Problem with leaprc yen li (Sat Jun 30 2007 - 09:11:47 CDT)
      • Re: AMBER: Problem with leaprc David A. Case (Sat Jun 30 2007 - 10:32:03 CDT)
      • Re: AMBER: Problem with leaprc Francesco Pietra (Sat Jun 30 2007 - 11:23:59 CDT)
• Fwd: RE: Re: AMBER: $AMBERHOME on PATH Francesco Pietra (Fri Jun 29 2007 - 00:58:19 CDT)
  • Re: Fwd: RE: Re: AMBER: $AMBERHOME on PATH M. L. Dodson (Fri Jun 29 2007 - 08:34:08 CDT)
  • Re: Fwd: RE: Re: AMBER: $AMBERHOME on PATH David A. Case (Fri Jun 29 2007 - 11:05:09 CDT)
    • AMBER: Serial "make" failure with xleap Francesco Pietra (Fri Jun 29 2007 - 12:17:39 CDT)
      • Re: AMBER: Serial "make" failure with xleap David A. Case (Fri Jun 29 2007 - 13:16:54 CDT)
      • Re: AMBER: Serial "make" failure with xleap Francesco Pietra (Fri Jun 29 2007 - 15:53:52 CDT)
• AMBER: Sander Error Colby C (Fri Jun 29 2007 - 09:47:05 CDT)
  • RE: AMBER: Sander Error Ross Walker (Fri Jun 29 2007 - 10:40:08 CDT)
  • Re: AMBER: Sander Error Phineus Markwick (Fri Jun 29 2007 - 10:45:18 CDT)
  • Re: AMBER: Sander Error Phineus Markwick (Fri Jun 29 2007 - 10:48:04 CDT)
    • RE: AMBER: Sander Error Ross Walker (Fri Jun 29 2007 - 11:28:44 CDT)
      • Re: AMBER: Sander Error Colby C (Fri Jun 29 2007 - 16:25:35 CDT)
      • Re: AMBER: Sander Error Carlos Simmerling (Fri Jun 29 2007 - 21:04:29 CDT)
      • RE: AMBER: Sander Error Ross Walker (Fri Jun 29 2007 - 22:42:50 CDT)
• AMBER: Fwd: Serial "make" failure with xleap Francesco Pietra (Fri Jun 29 2007 - 12:26:54 CDT)
• AMBER: Serial "make" failure Francesco Pietra (Fri Jun 29 2007 - 15:59:42 CDT)
• AMBER: make serial failure for xleap Francesco Pietra (Fri Jun 29 2007 - 16:05:52 CDT)
  • Re: AMBER: make serial failure for xleap M. L. Dodson (Fri Jun 29 2007 - 17:33:37 CDT)
    • Re: AMBER: make serial failure for xleap Francesco Pietra (Sat Jun 30 2007 - 03:39:32 CDT)
  • Re: AMBER: make serial failure for xleap David A. Case (Fri Jun 29 2007 - 18:28:36 CDT)
• Fwd: Re: AMBER: make serial failure for xleap Francesco Pietra (Sat Jun 30 2007 - 08:00:31 CDT)
• AMBER: amber7 and xleap Saiful Islam (Sat Jun 30 2007 - 08:14:21 CDT)
  • Re: AMBER: amber7 and xleap David A. Case (Sat Jun 30 2007 - 19:57:13 CDT)
    • Re: AMBER: amber7 and xleap Saiful Islam (Sat Jun 30 2007 - 22:37:00 CDT)
• Fwd: Re: AMBER: make test serial Francesco Pietra (Sat Jun 30 2007 - 08:42:56 CDT)
  • Re: Fwd: Re: AMBER: make test serial David A. Case (Sat Jun 30 2007 - 10:28:01 CDT)
    • Re: Fwd: Re: AMBER: make test serial Francesco Pietra (Sat Jun 30 2007 - 11:18:38 CDT)
      • Re: Fwd: Re: AMBER: make test serial M. L. Dodson (Sat Jun 30 2007 - 11:30:05 CDT)
      • RE: Fwd: Re: AMBER: make test serial Ross Walker (Sat Jun 30 2007 - 12:00:13 CDT)
• AMBER: MM-PBSA POPC/TIP3P/GPCR/LIGAND Jojart Balazs (Sat Jun 30 2007 - 13:25:49 CDT)
• AMBER: xleap and amber7 Saiful Islam (Sat Jun 30 2007 - 23:22:43 CDT)

Last message date: Mon Dec 31 2007 - 15:27:41 CST
Archived on: Thu Jan 10 2008 - 17:13:09 CST