Amber Archive Oct 2002 by thread
- Re: write problem on IBM-AIX Nicolas Grima (Tue Oct 01 2002 - 02:40:07 PDT)
- Re: NON-BONDED INTERACTION David A. Case (Tue Oct 01 2002 - 08:28:00 PDT)
- Re: Is H-bonding really there? Ioana Cozmuta (Tue Oct 01 2002 - 14:44:55 PDT)
- Questions on crosslinking residues Nicholson, James D Mr ARO (Tue Oct 01 2002 - 14:59:19 PDT)
- antechamber web page Ioana Cozmuta (Tue Oct 01 2002 - 15:33:36 PDT)
- RE:SAMUEL METU sam_008_at_www.com (Thu Oct 03 2002 - 18:46:50 PDT)
- Re: About the Memory allocation in MM_PBSA and SANDER Alan Leo (Fri Oct 04 2002 - 05:46:15 PDT)
- Different numbers on different architectures. David Smith (Fri Oct 04 2002 - 06:33:24 PDT)
- Re: SHAKE problem Pratul Agarwal (Wed Oct 09 2002 - 06:39:55 PDT)
- nmr and positional restraint in input Peter Varnai (Wed Oct 09 2002 - 10:44:03 PDT)
- Re: nmr and positional restraint in input Christoph Brockmann (Thu Oct 10 2002 - 02:12:49 PDT)
- MM-PBSA tutorial Giulio Rastelli (Thu Oct 10 2002 - 07:22:59 PDT)
- Re: MM-PBSA tutorial Holger Gohlke (Thu Oct 10 2002 - 11:57:41 PDT)
- Re: MM-PBSA tutorial Lepsa (Mon Oct 14 2002 - 00:14:47 PDT)
- MM-PBSA and Insight's version of Delphi Emma.Sigfridsson_at_astrazeneca.com (Mon Oct 14 2002 - 00:47:21 PDT)
- pressure variation coupled with taup value Vlad Cojocaru (Mon Oct 14 2002 - 02:36:42 PDT)
- loss of disulfide bonds Nicolas Le Novere (Mon Oct 14 2002 - 08:31:23 PDT)
- Re: loss of disulfide bonds Holger Gohlke (Mon Oct 14 2002 - 08:51:01 PDT)
- Re: loss of disulfide bonds David A. Case (Mon Oct 14 2002 - 09:04:30 PDT)
- Re: loss of disulfide bonds Natasja Brooijmans (Mon Oct 14 2002 - 09:46:54 PDT)
- Re: loss of disulfide bonds Carlos Simmerling (Mon Oct 14 2002 - 09:49:15 PDT)
- Re: loss of disulfide bonds James W. Caldwell (Mon Oct 14 2002 - 10:28:15 PDT)
- Re: loss of disulfide bonds Richard Henchman (Mon Oct 14 2002 - 10:44:30 PDT)
- Re: loss of disulfide bonds David A. Case (Mon Oct 14 2002 - 11:10:50 PDT)
- Potential bug in gbsa.h of sander-7 Vlad (Mon Oct 14 2002 - 17:35:58 PDT)
- Compiler & Hardware requirement of AMBER7 ? yuann (Mon Oct 14 2002 - 21:08:12 PDT)
- Re: Compiler & Hardware requirement of AMBER7 ? David Case (Mon Oct 14 2002 - 22:51:43 PDT)
- Re: Compiler & Hardware requirement of AMBER7 ? yuann (Tue Oct 22 2002 - 07:30:34 PDT)
- Computational alchemy Aldo Jongejan (Tue Oct 15 2002 - 03:52:12 PDT)
- Dummy torsions Aldo Jongejan (Tue Oct 15 2002 - 06:33:02 PDT)
- Re: Dummy torsions David A. Case (Tue Oct 15 2002 - 08:25:41 PDT)
- Error in Antechamber program in ammber7 Narang Manpreet Kaur (Tue Oct 15 2002 - 07:49:52 PDT)
- Re: Error in Antechamber program in ammber7 Lepsa (Tue Oct 15 2002 - 08:07:57 PDT)
- Re: Error in Antechamber program in ammber7 David A. Case (Tue Oct 15 2002 - 08:33:09 PDT)
- Re: Error in Antechamber program in ammber7 Narang Manpreet Kaur (Tue Oct 15 2002 - 22:01:45 PDT)
- Re: Error in Antechamber program in ammber7 David A. Case (Wed Oct 16 2002 - 08:04:40 PDT)
- dummy parameters Pierre Mignon (Wed Oct 16 2002 - 00:10:46 PDT)
- How to specify the counterion positions using xleap? A.Madhumalar (Wed Oct 16 2002 - 05:54:41 PDT)
- Re: How to specify the counterion positions using xleap? David A. Case (Wed Oct 16 2002 - 08:09:21 PDT)
- Re: How to specify the counterion positions using xleap? M. L. Dodson (Wed Oct 16 2002 - 17:10:22 PDT)
- Can I use belly and ntr at the same time? sxzheng (Wed Oct 16 2002 - 08:21:10 PDT)
- Re: Can I use belly and ntr at the same time? David A. Case (Wed Oct 16 2002 - 08:45:49 PDT)
- Molecular Dynamic procedure... Andrei Leitão (Wed Oct 16 2002 - 08:48:10 PDT)
- How to convert oldparmtop to newparmtop? A.Madhumalar (Wed Oct 16 2002 - 10:18:35 PDT)
- Re: How to convert oldparmtop to newparmtop? David A. Case (Wed Oct 16 2002 - 11:04:59 PDT)
- Re: How to convert oldparmtop to newparmtop? Michael Ford (Wed Oct 16 2002 - 12:47:57 PDT)
- Re: How to convert oldparmtop to newparmtop? A.Madhumalar (Thu Oct 17 2002 - 10:05:29 PDT)
- sander6 running and crashing at PSC? CUI, Guanglei (Thu Oct 17 2002 - 10:17:40 PDT)
- IGB =4 with GAFF and bugfix24 incomplete? Tom Bishop (Wed Oct 16 2002 - 11:12:37 PDT)
- Re: IGB =4 with GAFF and bugfix24 incomplete? David A. Case (Wed Oct 16 2002 - 11:55:24 PDT)
- syntax Ioana Cozmuta (Wed Oct 16 2002 - 11:14:54 PDT)
- Re: syntax David A. Case (Wed Oct 16 2002 - 11:57:44 PDT)
- error message Vlad Cojocaru (Wed Oct 16 2002 - 10:25:01 PDT)
- Re: error message Holger Gohlke (Wed Oct 16 2002 - 10:38:34 PDT)
- Re: error message Natasja Brooijmans (Wed Oct 16 2002 - 10:48:41 PDT)
- Re: error message Margaret Cheung (Wed Oct 16 2002 - 10:56:50 PDT)
- Re: confusing error messages David A. Case (Wed Oct 16 2002 - 11:42:15 PDT)
- restraining atoms Ioana Cozmuta (Wed Oct 16 2002 - 10:56:10 PDT)
- Re: restraining atoms Lepsa (Wed Oct 16 2002 - 23:56:17 PDT)
- Re: restraining atoms Ioana Cozmuta (Thu Oct 17 2002 - 10:54:37 PDT)
- Solvent exposed surface area over a trajectory Rebecca Perlow (Thu Oct 17 2002 - 11:20:03 PDT)
- Re: Solvent exposed surface area over a trajectory Michael Ford (Thu Oct 17 2002 - 12:09:17 PDT)
- Re: Solvent exposed surface area over a trajectory Sanjeev B.S. (Thu Oct 17 2002 - 12:18:56 PDT)
- Reference for GB model 2 Jianhui Wu (Thu Oct 17 2002 - 12:26:18 PDT)
- Re: Reference for GB model 2 Andreas Svrcek-Seiler (Thu Oct 17 2002 - 13:34:40 PDT)
- cutoffs in GB David A. Case (Thu Oct 17 2002 - 14:08:16 PDT)
- Carnal table output Christoph Brockmann (Fri Oct 18 2002 - 01:48:37 PDT)
- Re: Carnal table output Holger Gohlke (Fri Oct 18 2002 - 08:20:57 PDT)
- targeted MD Giulio Rastelli (Fri Oct 18 2002 - 07:28:48 PDT)
- Re: targeted MD David A. Case (Fri Oct 18 2002 - 08:32:14 PDT)
- Re: targeted MD Carlos Simmerling (Fri Oct 18 2002 - 08:45:33 PDT)
- Re: targeted MD Peter VARNAI (Sat Oct 19 2002 - 07:26:30 PDT)
- number of H-bonds Bimo Ario Tejo (Sat Oct 19 2002 - 21:54:44 PDT)
- Re: number of H-bonds Sanjeev B.S. (Sat Oct 19 2002 - 22:14:32 PDT)
- How to define a sphere to minimize? Guillermo Mulliert Carlín (Sun Oct 20 2002 - 23:46:57 PDT)
- Re: How to define a sphere to minimize? David Smith (Mon Oct 21 2002 - 04:00:03 PDT)
- Re: How to define a sphere to minimize? Bill Ross (Mon Oct 21 2002 - 08:11:19 PDT)
- Not able to use xleap ... Stéphane Teletchéa (Fri Oct 18 2002 - 08:58:21 PDT)
- Re: Not able to use xleap ... CUI, Guanglei (Fri Oct 18 2002 - 09:26:47 PDT)
- Re: Not able to use xleap ... David A. Case (Fri Oct 18 2002 - 09:38:23 PDT)
- Re: Not able to use xleap ... CUI, Guanglei (Fri Oct 18 2002 - 10:14:24 PDT)
- RE: Not able to use xleap ... Ross Walker (Sat Oct 19 2002 - 02:51:30 PDT)
- Re: Not able to use xleap ... Stéphane Teletchéa (Mon Oct 21 2002 - 00:08:12 PDT)
- Re: Not able to use xleap ... CUI, Guanglei (Mon Oct 21 2002 - 06:43:51 PDT)
- Re: Not able to use xleap ... Stéphane Teletchéa (Mon Oct 21 2002 - 08:02:25 PDT)
- Re: Not able to use xleap ... CUI, Guanglei (Mon Oct 21 2002 - 08:33:23 PDT)
- Re: Not able to use xleap ... Stéphane Teletchéa (Fri Oct 18 2002 - 10:24:38 PDT)
- allocation memory error Ioana Cozmuta (Fri Oct 18 2002 - 12:50:22 PDT)
- Re: allocation memory error Ioana Cozmuta (Tue Oct 22 2002 - 14:52:56 PDT)
- Amber 4 question Tod Pascal (Fri Oct 18 2002 - 15:42:40 PDT)
- Sander segmentation fault Joel Konkle-Parker (Thu Oct 17 2002 - 12:28:48 PDT)
- Reference, GB 2, Amber7 Jianhui Wu (Thu Oct 17 2002 - 12:34:12 PDT)
- Re: Solvent exposed surface area over a trajectory Natasja Brooijmans (Thu Oct 17 2002 - 12:35:34 PDT)
- time averaged restraint parameters Jake Isaacs (Thu Oct 17 2002 - 13:09:59 PDT)
- Sir, Venkanna Belde (Thu Oct 17 2002 - 02:33:18 PDT)
- Imaging & fitting in carnal Sanjeev B.S. (Thu Oct 17 2002 - 04:01:55 PDT)
- Truncated Octahedron Box giudice (Thu Oct 17 2002 - 06:06:28 PDT)
- a leap question Vlad Cojocaru (Thu Oct 17 2002 - 06:20:23 PDT)
- Re: a leap question CUI, Guanglei (Thu Oct 17 2002 - 06:43:24 PDT)
- Re: a leap question David A. Case (Thu Oct 17 2002 - 08:35:01 PDT)
- dummy torsional parameters again. X. Tan (Thu Oct 17 2002 - 09:52:05 PDT)
- Re: dummy torsional parameters again. David A. Case (Thu Oct 17 2002 - 10:58:38 PDT)
- Re: error message Andreas Svrcek-Seiler (Wed Oct 16 2002 - 10:58:18 PDT)
- Re: error message Bill Ross (Wed Oct 16 2002 - 12:22:44 PDT)
- more information about the previous email Vlad Cojocaru (Wed Oct 16 2002 - 10:26:43 PDT)
- Re: How to specify the counterion positions using xleap? James W. Caldwell (Wed Oct 16 2002 - 08:28:06 PDT)
- Re: How to specify the counterion positions using xleap? Ioana Cozmuta (Wed Oct 16 2002 - 10:45:06 PDT)
- Bug in reading binary restart file with BOX parameters Vlad (Tue Oct 15 2002 - 19:58:54 PDT)
- Re: Bug in reading binary restart file with BOX parameters David A. Case (Wed Oct 16 2002 - 08:27:51 PDT)
- new telescopes-Maksutov-Cassegrain, reflector, refractor wang lan (Tue Oct 15 2002 - 04:13:49 PDT)
- new telescopes-Maksutov-Cassegrain, reflector, refractor wang lan (Tue Oct 15 2002 - 04:42:50 PDT)
- CH2Cl2 box Eric ARNOULT (Mon Oct 14 2002 - 10:51:21 PDT)
- trouble with snapshots GC option of MM_PBSA Michael Ford (Thu Oct 10 2002 - 07:23:24 PDT)
- reaction field energy of a ligand in MM-PBSA Giulio Rastelli (Wed Oct 09 2002 - 11:04:10 PDT)
- about dummy parameter of multiplicity sxzheng (Thu Oct 10 2002 - 00:55:15 PDT)
- solved: nmr and positional restraint in input Peter Varnai (Thu Oct 10 2002 - 08:26:27 PDT)
- [Fwd: Re: trouble with snapshots GC option of MM_PBSA] Holger Gohlke (Thu Oct 10 2002 - 09:15:39 PDT)
- IBELLY and NMROPT in sander Tom Bishop (Thu Oct 10 2002 - 09:54:43 PDT)
- Dielectric constant for interior of proteins Pratul Agarwal (Thu Oct 10 2002 - 10:53:59 PDT)
- Re: reg: MAC OS David A. Case (Mon Oct 21 2002 - 09:11:56 PDT)
- Re: Patching AMBER7 with #24 Lepsa (Wed Oct 23 2002 - 00:49:07 PDT)
- Re: HIS residues Ioana Cozmuta (Thu Oct 24 2002 - 14:51:40 PDT)
- carnal output trajectory Vlad Cojocaru (Fri Oct 25 2002 - 02:50:55 PDT)
- Re:SURFTEN for GB Lepsa (Fri Oct 25 2002 - 06:51:30 PDT)
- Re: RESP-group constraint Marco Preto (Wed Oct 30 2002 - 08:50:21 PST)
- IDECOMP Mark Hsieh (Wed Oct 30 2002 - 10:11:02 PST)
- MD steps limit in sander (Amber 6) Marco Preto (Wed Oct 30 2002 - 18:09:14 PST)
- Re: no MD output Marco Preto (Wed Oct 30 2002 - 10:33:30 PST)
- Minimization problem w/ counter-ion ! Marco Preto (Wed Oct 30 2002 - 18:54:27 PST)
- NVT system implosion!!! Marco Preto (Wed Oct 30 2002 - 16:29:24 PST)
- Last message date: Thu May 29 2003 - 09:53:00 PDT
- Archived on: Wed Dec 25 2024 - 05:53:19 PST
