AMBER Archive (2002) - Oct 2002 By Author

Starting: Tue Oct 01 2002 - 04:40:07 CDT
Ending: Thu Oct 31 2002 - 21:12:51 CST

• A. Hungie
  • How to generate PNA structure? (Mon Oct 07 2002 - 03:51:53 CDT)
• A.Madhumalar
  • Re: How to convert oldparmtop to newparmtop? (Thu Oct 17 2002 - 12:05:29 CDT)
  • How to convert oldparmtop to newparmtop? (Wed Oct 16 2002 - 12:18:35 CDT)
  • How to specify the counterion positions using xleap? (Wed Oct 16 2002 - 07:54:41 CDT)
• Alan Leo
  • Re: About the Memory allocation in MM_PBSA and SANDER (Fri Oct 04 2002 - 07:46:15 CDT)
• Aldo Jongejan
  • FEP - ligand to nothing (or water)?? (Tue Oct 29 2002 - 03:50:54 CST)
  • Dummy torsions (Tue Oct 15 2002 - 08:33:02 CDT)
  • Computational alchemy (Tue Oct 15 2002 - 05:52:12 CDT)
• Andreas Svrcek-Seiler
  • Re: Reference for GB model 2 (Thu Oct 17 2002 - 15:34:40 CDT)
  • Re: error message (Wed Oct 16 2002 - 12:58:18 CDT)
  • Re: EGB = NaNQ (Fri Oct 04 2002 - 10:30:50 CDT)
• Andrei Leitão
  • Molecular Dynamic procedure... (Wed Oct 16 2002 - 10:48:10 CDT)
• Arvid Soederhaell
  • SDS forcefield? (Thu Oct 24 2002 - 04:25:58 CDT)
• Asif Rahaman
  • problem with gibbs !!!! (Mon Oct 21 2002 - 21:18:10 CDT)
• Bernd Wellenzohn
  • MM-PGBSA Question!! (Tue Oct 22 2002 - 07:46:29 CDT)
• Bill Ross
  • Re: carnal output trajectory (Wed Oct 30 2002 - 10:37:00 CST)
  • Re: carnal output trajectory (Thu Oct 24 2002 - 16:26:15 CDT)
  • Re: How to define a sphere to minimize? (Mon Oct 21 2002 - 10:11:19 CDT)
  • Re: error message (Wed Oct 16 2002 - 14:22:44 CDT)
• Bimo Ario Tejo
  • time correlation function (Fri Oct 25 2002 - 09:47:28 CDT)
  • once again: residue cross-correlation (Fri Oct 25 2002 - 09:39:40 CDT)
  • residue cross-correlation (Thu Oct 24 2002 - 16:15:50 CDT)
  • number of H-bonds (Sat Oct 19 2002 - 23:54:44 CDT)
  • NTX / IREST inconsistency (Fri Oct 04 2002 - 10:11:59 CDT)
  • atomicfluct (Thu Oct 03 2002 - 06:40:47 CDT)
• C. Klein
  • what are "end group interactions"? (Mon Oct 07 2002 - 03:43:00 CDT)
• Carlos P. Sosa
  • systems.Re: sander7: MPI_COMM_RANK problem (Mon Oct 21 2002 - 14:44:56 CDT)
  • Re: RESP gaussian job crashing (Thu Oct 03 2002 - 17:39:59 CDT)
• Carlos Simmerling
  • Re: Targeted MD (Mon Oct 28 2002 - 17:09:19 CST)
  • Re: specification for memory requirement (Fri Oct 25 2002 - 20:55:42 CDT)
  • Re: targeted MD (Fri Oct 18 2002 - 10:45:33 CDT)
  • Re: loss of disulfide bonds (Mon Oct 14 2002 - 11:49:15 CDT)
• Chen, Ya
  • Problems with tes.antechamber (Tue Oct 29 2002 - 19:21:59 CST)
• Christoph Brockmann
  • Carnal table output (Fri Oct 18 2002 - 03:48:37 CDT)
  • Re: nmr and positional restraint in input (Thu Oct 10 2002 - 04:12:49 CDT)
• Chuck Schneider
  • Re: MACHINE file for Tru64 ES45 (Tue Oct 08 2002 - 06:28:45 CDT)
• CUI, Guanglei
  • 2nd restart (Sun Oct 27 2002 - 11:02:30 CST)
  • Re: question on ouput of sander (Mon Oct 21 2002 - 13:43:40 CDT)
  • Re: Not able to use xleap ... (Mon Oct 21 2002 - 10:33:23 CDT)
  • Re: Not able to use xleap ... (Mon Oct 21 2002 - 08:43:51 CDT)
  • Re: Not able to use xleap ... (Fri Oct 18 2002 - 12:14:24 CDT)
  • Re: Not able to use xleap ... (Fri Oct 18 2002 - 11:26:47 CDT)
  • sander6 running and crashing at PSC? (Thu Oct 17 2002 - 12:17:40 CDT)
  • Re: a leap question (Thu Oct 17 2002 - 08:43:24 CDT)
  • Re: MACHINE file for Tru64 ES45 (Tue Oct 08 2002 - 08:47:16 CDT)
  • MACHINE file for Tru64 ES45 (Mon Oct 07 2002 - 14:20:19 CDT)
• david
  • *.top file: "PARM-F-UHOSED, try again" (Thu Oct 31 2002 - 11:17:18 CST)
• David A. Case
  • Re: *.top file: "PARM-F-UHOSED, try again" (Thu Oct 31 2002 - 11:19:06 CST)
  • Re: time correlation function (Thu Oct 31 2002 - 09:21:28 CST)
  • Re: FEP - ligand to nothing (or water)?? (Tue Oct 29 2002 - 08:24:47 CST)
  • Re: 64-bit Compilation SUN's forte compiler (Mon Oct 28 2002 - 21:41:15 CST)
  • Re: leap - sander information flow (Mon Oct 28 2002 - 15:44:28 CST)
  • Re: min output (Wed Oct 23 2002 - 18:51:06 CDT)
  • Re: Dummy atoms... (Wed Oct 23 2002 - 11:35:31 CDT)
• David A. Case
  • Re: replacing fft routines (Tue Oct 22 2002 - 17:58:34 CDT)
  • Re: MM-PGBSA Question!! (Tue Oct 22 2002 - 09:45:20 CDT)
  • Re: question on ouput of sander (Mon Oct 21 2002 - 13:59:27 CDT)
  • Re: reg: MAC OS (Mon Oct 21 2002 - 11:11:56 CDT)
  • Re: Not able to use xleap ... (Fri Oct 18 2002 - 11:38:23 CDT)
  • Re: targeted MD (Fri Oct 18 2002 - 10:32:14 CDT)
  • cutoffs in GB (Thu Oct 17 2002 - 16:08:16 CDT)
  • Re: dummy torsional parameters again. (Thu Oct 17 2002 - 12:58:38 CDT)
  • Re: a leap question (Thu Oct 17 2002 - 10:35:01 CDT)
  • Re: syntax (Wed Oct 16 2002 - 13:57:44 CDT)
  • Re: IGB =4 with GAFF and bugfix24 incomplete? (Wed Oct 16 2002 - 13:55:24 CDT)
  • Re: confusing error messages (Wed Oct 16 2002 - 13:42:15 CDT)
  • Re: How to convert oldparmtop to newparmtop? (Wed Oct 16 2002 - 13:04:59 CDT)
  • Re: Can I use belly and ntr at the same time? (Wed Oct 16 2002 - 10:45:49 CDT)
  • Re: Bug in reading binary restart file with BOX parameters (Wed Oct 16 2002 - 10:27:51 CDT)
  • Re: How to specify the counterion positions using xleap? (Wed Oct 16 2002 - 10:09:21 CDT)
  • Re: Error in Antechamber program in ammber7 (Wed Oct 16 2002 - 10:04:40 CDT)
  • Re: Error in Antechamber program in ammber7 (Tue Oct 15 2002 - 10:33:09 CDT)
  • Re: Dummy torsions (Tue Oct 15 2002 - 10:25:41 CDT)
  • Re: loss of disulfide bonds (Mon Oct 14 2002 - 13:10:50 CDT)
  • Re: loss of disulfide bonds (Mon Oct 14 2002 - 11:04:30 CDT)
  • Re: problem in sander (Fri Oct 11 2002 - 10:00:53 CDT)
  • Re: about dummy parameter of multiplicity (Thu Oct 10 2002 - 13:37:40 CDT)
  • Re: Dielectric constant for interior of proteins (Thu Oct 10 2002 - 13:33:19 CDT)
  • Re: LINMIN FAILURE (Tue Oct 08 2002 - 20:33:07 CDT)
  • Re: crdgrow (Tue Oct 08 2002 - 20:17:45 CDT)
  • Re: xleap on a SGI Fuel (Mon Oct 07 2002 - 21:50:33 CDT)
  • Re: Different numbers on different architectures. (Fri Oct 04 2002 - 11:26:07 CDT)
  • Re: NTX / IREST inconsistency (Fri Oct 04 2002 - 10:35:07 CDT)
  • Re: compiling SGI/mpi (Fri Oct 04 2002 - 10:07:23 CDT)
  • Re: compiling SGI/mpi (Thu Oct 03 2002 - 20:50:11 CDT)
  • Re: MM-GBSA and counterions (Thu Oct 03 2002 - 15:43:35 CDT)
  • Re: regarding resp-doubts (Thu Oct 03 2002 - 11:10:48 CDT)
  • Re: Questions on crosslinking residues (Thu Oct 03 2002 - 10:04:18 CDT)
  • Re: xleap XENVIRONMENT (Wed Oct 02 2002 - 18:55:31 CDT)
  • Re: Questions on crosslinking residues (Wed Oct 02 2002 - 18:34:47 CDT)
  • Re: tutorial on plastocyanin (Wed Oct 02 2002 - 09:48:27 CDT)
  • Re: antechamber web page (Tue Oct 01 2002 - 18:00:33 CDT)
  • Re: NON-BONDED INTERACTION (Tue Oct 01 2002 - 10:28:00 CDT)
• David Case
  • Re: Compiler & Hardware requirement of AMBER7 ? (Tue Oct 15 2002 - 00:51:43 CDT)
• David Smith
  • Re: How to define a sphere to minimize? (Mon Oct 21 2002 - 06:00:03 CDT)
  • Different numbers on different architectures. (Fri Oct 04 2002 - 08:33:24 CDT)
  • Re: RESP gaussian job crashing (Fri Oct 04 2002 - 07:08:53 CDT)
• Elsa de Sousa Henriques
  • Re: rdparm (Tue Oct 08 2002 - 21:40:58 CDT)
• Emma.Sigfridsson_at_astrazeneca.com
  • MM-PBSA and Insight's version of Delphi (Mon Oct 14 2002 - 02:47:21 CDT)
• Eric ARNOULT
  • CH2Cl2 box (Mon Oct 14 2002 - 12:51:21 CDT)
• Fernando Martin
  • RE: 64-bit Compilation SUN's forte compiler (Mon Oct 28 2002 - 18:24:21 CST)
  • 64-bit Compilation SUN's forte compiler (Mon Oct 28 2002 - 17:15:52 CST)
• Florian Barth
  • replacing fft routines (Tue Oct 22 2002 - 15:08:14 CDT)
• giudice
  • Truncated Octahedron Box (Thu Oct 17 2002 - 08:06:28 CDT)
• Giulio Rastelli
  • Targeted MD (Mon Oct 28 2002 - 15:44:05 CST)
  • total energies during MM-PBSA (Sun Oct 27 2002 - 12:20:19 CST)
  • targeted MD (Fri Oct 18 2002 - 09:28:48 CDT)
  • MM-PBSA tutorial (Thu Oct 10 2002 - 09:22:59 CDT)
  • reaction field energy of a ligand in MM-PBSA (Wed Oct 09 2002 - 13:04:10 CDT)
  • xleap on a SGI Fuel (Mon Oct 07 2002 - 09:50:39 CDT)
• Guillermo Mulliert Carlín
  • How to define a sphere to minimize? (Mon Oct 21 2002 - 01:46:57 CDT)
• hagop demirdjian
  • do I need to mutate H1 atoms to HC in a "not really" perturbed part of a molecule ? (Tue Oct 08 2002 - 09:51:50 CDT)
• Holger Gohlke
  • Re: xleap and modified sugar residues (Thu Oct 31 2002 - 13:54:23 CST)
  • Re: IDECOMP (Wed Oct 30 2002 - 14:11:13 CST)
  • Re: Carnal table output (Fri Oct 18 2002 - 10:20:57 CDT)
  • Re: error message (Wed Oct 16 2002 - 12:38:34 CDT)
  • Re: loss of disulfide bonds (Mon Oct 14 2002 - 10:51:01 CDT)
  • Re: MM-PBSA tutorial (Thu Oct 10 2002 - 13:57:41 CDT)
  • [Fwd: Re: trouble with snapshots GC option of MM_PBSA] (Thu Oct 10 2002 - 11:15:39 CDT)
• hung_at_atc.atccu.chula.ac.th
  • LINMIN FAILURE (Tue Oct 08 2002 - 19:41:00 CDT)
• Ioana Cozmuta
  • carnal (Thu Oct 31 2002 - 12:30:35 CST)
  • Re: 64-bit Compilation SUN's forte compiler (Mon Oct 28 2002 - 17:33:49 CST)
  • Re: HIS residues (Thu Oct 24 2002 - 16:51:40 CDT)
  • min output (Wed Oct 23 2002 - 18:26:44 CDT)
  • Re: allocation memory error (Tue Oct 22 2002 - 16:52:56 CDT)
  • allocation memory error (Fri Oct 18 2002 - 14:50:22 CDT)
  • Re: restraining atoms (Thu Oct 17 2002 - 12:54:37 CDT)
  • syntax (Wed Oct 16 2002 - 13:14:54 CDT)
  • restraining atoms (Wed Oct 16 2002 - 12:56:10 CDT)
  • Re: How to specify the counterion positions using xleap? (Wed Oct 16 2002 - 12:45:06 CDT)
  • problem in sander (Thu Oct 10 2002 - 21:11:06 CDT)
  • Re: Some error message on Leap (Thu Oct 10 2002 - 17:22:51 CDT)
  • question about antibodies (Thu Oct 10 2002 - 15:05:25 CDT)
  • rdparm (Tue Oct 08 2002 - 12:33:41 CDT)
  • crdgrow (Tue Oct 08 2002 - 12:19:23 CDT)
  • (no subject) (Fri Oct 04 2002 - 19:12:44 CDT)
  • Re: compiling SGI/mpi (Thu Oct 03 2002 - 22:09:02 CDT)
  • compiling SGI/mpi (Thu Oct 03 2002 - 20:16:38 CDT)
  • tutorial on plastocyanin (Wed Oct 02 2002 - 01:04:37 CDT)
  • antechamber web page (Tue Oct 01 2002 - 17:33:36 CDT)
  • Re: Is H-bonding really there? (Tue Oct 01 2002 - 16:44:55 CDT)
• Jake Isaacs
  • time averaged restraint parameters (Thu Oct 17 2002 - 15:09:59 CDT)
• James W. Caldwell
  • Re: LEaP: The parm and coord files disagree on the number of atoms (Tue Oct 29 2002 - 09:50:26 CST)
  • Re: min output (Thu Oct 24 2002 - 11:01:15 CDT)
  • Re: Antechamber generating bad charges w/ gaussian 98. (Wed Oct 23 2002 - 18:16:05 CDT)
  • Re: problem with gibbs !!!! (Tue Oct 22 2002 - 09:34:23 CDT)
  • Re: How to specify the counterion positions using xleap? (Wed Oct 16 2002 - 10:28:06 CDT)
  • Re: loss of disulfide bonds (Mon Oct 14 2002 - 12:28:15 CDT)
  • Re: regarding resp-doubts (Thu Oct 03 2002 - 11:35:26 CDT)
  • Re: RESP gaussian job crashing (Thu Oct 03 2002 - 09:04:59 CDT)
• Jianhui Wu
  • Reference, GB 2, Amber7 (Thu Oct 17 2002 - 14:34:12 CDT)
  • Reference for GB model 2 (Thu Oct 17 2002 - 14:26:18 CDT)
• Joel Konkle-Parker
  • Sander segmentation fault (Thu Oct 17 2002 - 14:28:48 CDT)
  • DNA Tutorial: min_ntr.in (Fri Oct 11 2002 - 17:28:47 CDT)
• kbyun_at_wesleyan.edu
  • (no subject) (Tue Oct 08 2002 - 13:10:53 CDT)
• Lepsa
  • Fw: Re:SURFTEN for GB (Fri Oct 25 2002 - 08:55:12 CDT)
  • Re:SURFTEN for GB (Fri Oct 25 2002 - 08:51:30 CDT)
  • Re: Patching AMBER7 with #24 (Wed Oct 23 2002 - 10:23:14 CDT)
  • Re: Patching AMBER7 with #24 (Wed Oct 23 2002 - 02:49:07 CDT)
  • Re: restraining atoms (Thu Oct 17 2002 - 01:56:17 CDT)
  • Re: Error in Antechamber program in ammber7 (Tue Oct 15 2002 - 10:07:57 CDT)
  • Re: MM-PBSA tutorial (Mon Oct 14 2002 - 02:14:47 CDT)
  • Re: reaction field energy of a ligand in MM-PBSA (Wed Oct 09 2002 - 08:19:56 CDT)
  • Re: xleap XENVIRONMENT (Thu Oct 03 2002 - 02:47:39 CDT)
• Lich Nguyen
  • Re: Protein jump out, please help (Thu Oct 24 2002 - 22:21:40 CDT)
  • Protein jump out, please help (Thu Oct 24 2002 - 04:45:45 CDT)
• Luo Liu
  • 2D RMSd (Tue Oct 08 2002 - 03:32:34 CDT)
• M. L. Dodson
  • Re: How to specify the counterion positions using xleap? (Wed Oct 16 2002 - 19:10:22 CDT)
  • perturbation of gln to glu (Sun Oct 13 2002 - 19:02:00 CDT)
  • Re: Questions on crosslinking residues (Thu Oct 03 2002 - 07:42:08 CDT)
• Mako Furukawa
  • Re: AMBER6 on cluster (Mon Oct 07 2002 - 19:43:31 CDT)
  • AMBER6 on cluster (Mon Oct 07 2002 - 19:12:28 CDT)
• Marcela Madrid
  • scaling of amber with number of atoms (Mon Oct 21 2002 - 14:23:59 CDT)
• Marco Aurélio Correia Preto
  • Charges derivation question! (Wed Oct 30 2002 - 10:39:24 CST)
  • Resp Multiconformational charge fitting! (Wed Oct 30 2002 - 05:50:52 CST)
• Marco Preto
  • Re: RESP-group constraint (Wed Oct 30 2002 - 10:50:21 CST)
• Margaret Cheung
  • Re: carnal output trajectory (Thu Oct 24 2002 - 15:57:50 CDT)
  • Re: error message (Wed Oct 16 2002 - 12:56:50 CDT)
  • Re: geometry optimization/turning off Elec and Vdw terms (Mon Oct 07 2002 - 17:26:01 CDT)
• Mark C. Ballew
  • Re: xleap XENVIRONMENT (Thu Oct 03 2002 - 16:09:25 CDT)
  • xleap XENVIRONMENT (Wed Oct 02 2002 - 17:34:09 CDT)
• Mark Hsieh
  • IDECOMP (Wed Oct 30 2002 - 12:11:02 CST)
• Matteo Dal Peraro
  • sander7: MPI_COMM_RANK problem (Mon Oct 21 2002 - 14:17:14 CDT)
• Mengjuei Hsieh
  • Re: reg: MAC OS (Mon Oct 21 2002 - 13:13:35 CDT)
• Mercury
  • NAV detected a virus in a document YOU sent to webmaster@nctimes.com. (Thu Oct 31 2002 - 21:12:51 CST)
• Michael Ford
  • xleap and modified sugar residues (Thu Oct 31 2002 - 13:22:17 CST)
  • Re: *.top file: "PARM-F-UHOSED, try again" (Thu Oct 31 2002 - 11:43:10 CST)
  • mm_pbsa error message (warning?) (Tue Oct 29 2002 - 16:47:02 CST)
  • mm_pbsa curious output of coordinates and resulting errors... (Tue Oct 29 2002 - 16:01:43 CST)
  • Re: Solvent exposed surface area over a trajectory (Thu Oct 17 2002 - 14:09:17 CDT)
  • Re: How to convert oldparmtop to newparmtop? (Wed Oct 16 2002 - 14:47:57 CDT)
  • Re: Some error message on Leap (Thu Oct 10 2002 - 16:27:03 CDT)
  • Re: trouble with snapshots GC option of MM_PBSA - Now no output for lig and rec (Thu Oct 10 2002 - 10:10:35 CDT)
  • Re: trouble with snapshots GC option of MM_PBSA (Thu Oct 10 2002 - 09:31:05 CDT)
  • trouble with snapshots GC option of MM_PBSA (Thu Oct 10 2002 - 09:23:24 CDT)
  • MM-GBSA and counterions (Thu Oct 03 2002 - 14:27:27 CDT)
• Michael G Cooney
  • Re: Protein jump out, please help (Thu Oct 24 2002 - 13:51:52 CDT)
• Michal Otyepka
  • restart without velocities (Wed Oct 02 2002 - 02:39:02 CDT)
• Miguel de Federico
  • LEaP: The parm and coord files disagree on the number of atoms (Tue Oct 29 2002 - 02:24:58 CST)
  • Dummy atoms... (Wed Oct 23 2002 - 02:44:34 CDT)
  • Re: regarding resp-doubts (Thu Oct 03 2002 - 11:01:23 CDT)
• Narang Manpreet Kaur
  • Error in Antechamber program in ammber7 (Tue Oct 15 2002 - 09:49:52 CDT)
• Narang Manpreet Kaur
  • Re: Error in Antechamber program in ammber7 (Wed Oct 16 2002 - 00:01:45 CDT)
• Natasja Brooijmans
  • Re: HIS residues (Thu Oct 24 2002 - 18:09:55 CDT)
  • Re: Amber Crd format (Tue Oct 22 2002 - 14:04:43 CDT)
  • Re: Solvent exposed surface area over a trajectory (Thu Oct 17 2002 - 14:35:34 CDT)
  • Re: error message (Wed Oct 16 2002 - 12:48:41 CDT)
  • Re: loss of disulfide bonds (Mon Oct 14 2002 - 11:46:54 CDT)
• Nicholson, James D Mr ARO
  • RE: Antechamber generating bad charges w/ gaussian 98. (Wed Oct 23 2002 - 21:12:32 CDT)
  • RE: Antechamber generating bad charges w/ gaussian 98. (Wed Oct 23 2002 - 21:00:47 CDT)
  • Antechamber generating bad charges w/ gaussian 98. (Wed Oct 23 2002 - 16:50:56 CDT)
  • RE: RESP gaussian job crashing (Thu Oct 03 2002 - 16:57:46 CDT)
  • RESP gaussian job crashing (Wed Oct 02 2002 - 20:22:59 CDT)
  • RE: Questions on crosslinking residues (Wed Oct 02 2002 - 20:03:47 CDT)
  • Questions on crosslinking residues (Tue Oct 01 2002 - 16:59:19 CDT)
• Nicolas Le Novere
  • loss of disulfide bonds (Mon Oct 14 2002 - 10:31:23 CDT)
• Nicolas Grima
  • Re: write problem on IBM-AIX (Tue Oct 01 2002 - 04:40:07 CDT)
• Peter VARNAI
  • Re: targeted MD (Sat Oct 19 2002 - 09:26:30 CDT)
  • solved: nmr and positional restraint in input (Thu Oct 10 2002 - 10:26:27 CDT)
  • nmr and positional restraint in input (Wed Oct 09 2002 - 12:44:03 CDT)
• Pierre Mignon
  • dummy parameters (Wed Oct 16 2002 - 02:10:46 CDT)
• Pratul Agarwal
  • quasih (Mon Oct 28 2002 - 16:25:02 CST)
  • Re: Dielectric constant for interior of proteins (Thu Oct 10 2002 - 14:25:51 CDT)
  • Dielectric constant for interior of proteins (Thu Oct 10 2002 - 12:53:59 CDT)
  • Re: SHAKE problem (Wed Oct 09 2002 - 08:39:55 CDT)
  • Re: EGB = NaNQ (Fri Oct 04 2002 - 15:26:47 CDT)
  • EGB = NaNQ (Thu Oct 03 2002 - 16:05:55 CDT)
• Prem Raj
  • Re: reg: MAC OS (Mon Oct 21 2002 - 13:19:40 CDT)
• Rebecca Perlow
  • Solvent exposed surface area over a trajectory (Thu Oct 17 2002 - 13:20:03 CDT)
• Richard Henchman
  • Re: loss of disulfide bonds (Mon Oct 14 2002 - 12:44:30 CDT)
• Ross Walker
  • RE: Not able to use xleap ... (Sat Oct 19 2002 - 04:51:30 CDT)
  • RE: Sander multiprocessors running problem with MPI (Wed Oct 02 2002 - 12:52:27 CDT)
• sam_008_at_www.com
  • RE:SAMUEL METU (Thu Oct 03 2002 - 20:46:51 CDT)
  • RE:SAMUEL METU (Thu Oct 03 2002 - 20:46:50 CDT)
• Sanjeev B.S.
  • Re: carnal output trajectory (Wed Oct 30 2002 - 07:50:45 CST)
  • Re: number of H-bonds (Sun Oct 20 2002 - 00:14:32 CDT)
  • Re: Solvent exposed surface area over a trajectory (Thu Oct 17 2002 - 14:18:56 CDT)
  • Imaging & fitting in carnal (Thu Oct 17 2002 - 06:01:55 CDT)
  • Re: crdgrow (Tue Oct 08 2002 - 12:24:09 CDT)
  • Re: restart without velocities (Wed Oct 02 2002 - 02:44:57 CDT)
• Scott Brozell
  • Re: 64-bit Compilation SUN's forte compiler (Mon Oct 28 2002 - 18:00:08 CST)
• Shimono Fumihiro
  • Re: about AMBER parallel edition (Thu Oct 03 2002 - 06:46:14 CDT)
  • about AMBER parallel edition (Thu Oct 03 2002 - 06:07:36 CDT)
• Shunzhou Wan
  • period boundary (Fri Oct 11 2002 - 10:50:39 CDT)
• Sichun Yang
  • question on belly and restraint (Wed Oct 30 2002 - 14:54:37 CST)
  • Re: question on ouput of sander (Mon Oct 21 2002 - 13:45:29 CDT)
  • question on ouput of sander (Mon Oct 21 2002 - 13:19:17 CDT)
  • docking in amber? (Thu Oct 10 2002 - 18:44:45 CDT)
  • Some error message on Leap (Thu Oct 10 2002 - 15:15:43 CDT)
• Soonmin Jang
  • RMSD calculation question (Fri Oct 04 2002 - 02:02:37 CDT)
• Stéphane Teletchéa
  • Re: carnal output trajectory (Wed Oct 30 2002 - 07:50:19 CST)
  • Re: Not able to use xleap ... (Mon Oct 21 2002 - 10:02:25 CDT)
  • Re: Not able to use xleap ... (Mon Oct 21 2002 - 02:08:12 CDT)
  • Re: Not able to use xleap ... (Fri Oct 18 2002 - 12:24:38 CDT)
  • Not able to use xleap ... (Fri Oct 18 2002 - 10:58:21 CDT)
• Sue Heavner
  • mm_pbsa-amber7 (Tue Oct 22 2002 - 14:06:01 CDT)
• sxzheng
  • How to choose the box and cap size (Thu Oct 31 2002 - 00:42:27 CST)
  • Can I use belly and ntr at the same time? (Wed Oct 16 2002 - 10:21:10 CDT)
  • volume of ucell too big!! (Fri Oct 11 2002 - 10:06:52 CDT)
  • about dummy parameter of multiplicity (Thu Oct 10 2002 - 02:55:15 CDT)
• thenmalar rathinavelan
  • regarding resp-doubts (Thu Oct 03 2002 - 03:21:51 CDT)
• Thomas Steinbrecher
  • Sander Recompilation for the Biotin-Streptavidin Tutorial? (Wed Oct 30 2002 - 09:46:30 CST)
• Tod Pascal
  • Amber Crd format (Tue Oct 22 2002 - 13:21:05 CDT)
  • Amber 4 question (Fri Oct 18 2002 - 17:42:40 CDT)
• Tom Bishop
  • IGB =4 with GAFF and bugfix24 incomplete? (Wed Oct 16 2002 - 13:12:37 CDT)
  • IBELLY and NMROPT in sander (Thu Oct 10 2002 - 11:54:43 CDT)
  • geometry optimization/turning off Elec and Vdw terms (Mon Oct 07 2002 - 15:17:52 CDT)
• Venkanna Belde
  • Sir, (Thu Oct 17 2002 - 04:33:18 CDT)
• vijay dasa
  • Hello Amber, (Mon Oct 28 2002 - 04:20:24 CST)
  • Amber (Mon Oct 28 2002 - 00:51:02 CST)
• Vlad
  • Bug in reading binary restart file with BOX parameters (Tue Oct 15 2002 - 21:58:54 CDT)
  • Potential bug in gbsa.h of sander-7 (Mon Oct 14 2002 - 19:35:58 CDT)
• Vlad Cojocaru
  • carnal output trajectory (Wed Oct 30 2002 - 07:25:36 CST)
  • carnal output trajectory (Fri Oct 25 2002 - 04:50:55 CDT)
  • carnal output trajectory (Thu Oct 24 2002 - 15:07:35 CDT)
  • a leap question (Thu Oct 17 2002 - 08:20:23 CDT)
  • more information about the previous email (Wed Oct 16 2002 - 12:26:43 CDT)
  • error message (Wed Oct 16 2002 - 12:25:01 CDT)
  • pressure variation coupled with taup value (Mon Oct 14 2002 - 04:36:42 CDT)
• wang lan
  • new telescopes-Maksutov-Cassegrain, reflector, refractor (Tue Oct 15 2002 - 06:42:50 CDT)
  • new telescopes-Maksutov-Cassegrain, reflector, refractor (Tue Oct 15 2002 - 06:13:49 CDT)
• Wiktor Jurkowski
  • leap - sander information flow (Mon Oct 28 2002 - 06:34:51 CST)
  • Re: regarding resp-doubts (Thu Oct 03 2002 - 10:41:13 CDT)
• William Wei
  • Sander multiprocessors running problem with MPI (Wed Oct 02 2002 - 13:09:49 CDT)
• X. Tan
  • dummy torsional parameters again. (Thu Oct 17 2002 - 11:52:05 CDT)
• Ying Zhao
  • How to do 2dRMS in ptraj (Thu Oct 10 2002 - 14:33:43 CDT)
• Yu Chen
  • Amber6 and MPI (Wed Oct 23 2002 - 13:10:30 CDT)
• yuann
  • specification for memory requirement (Fri Oct 25 2002 - 19:37:13 CDT)
  • Re: Compiler & Hardware requirement of AMBER7 ? (Tue Oct 22 2002 - 09:30:34 CDT)
  • Compiler & Hardware requirement of AMBER7 ? (Mon Oct 14 2002 - 23:08:12 CDT)

Last message date: Tue Dec 31 2002 - 15:51:31 CST
Archived on: Thu May 05 2005 - 14:17:27 CDT