Amber Archive Oct 2002: by author

A. Hungie
- How to generate PNA structure? (Mon Oct 07 2002 - 01:51:53 PDT)
A.Madhumalar
- Re: How to convert oldparmtop to newparmtop? (Thu Oct 17 2002 - 10:05:29 PDT)
- How to convert oldparmtop to newparmtop? (Wed Oct 16 2002 - 10:18:35 PDT)
- How to specify the counterion positions using xleap? (Wed Oct 16 2002 - 05:54:41 PDT)
Alan Leo
- Re: About the Memory allocation in MM_PBSA and SANDER (Fri Oct 04 2002 - 05:46:15 PDT)
Aldo Jongejan
- FEP - ligand to nothing (or water)?? (Tue Oct 29 2002 - 01:50:54 PST)
- Dummy torsions (Tue Oct 15 2002 - 06:33:02 PDT)
- Computational alchemy (Tue Oct 15 2002 - 03:52:12 PDT)
Andreas Svrcek-Seiler
- Re: Reference for GB model 2 (Thu Oct 17 2002 - 13:34:40 PDT)
- Re: error message (Wed Oct 16 2002 - 10:58:18 PDT)
- Re: EGB = NaNQ (Fri Oct 04 2002 - 08:30:50 PDT)
Andrei Leit�o
- Molecular Dynamic procedure... (Wed Oct 16 2002 - 08:48:10 PDT)
Arvid Soederhaell
- SDS forcefield? (Thu Oct 24 2002 - 02:25:58 PDT)
Asif Rahaman
- problem with gibbs !!!! (Mon Oct 21 2002 - 19:18:10 PDT)
Bernd Wellenzohn
- MM-PGBSA Question!! (Tue Oct 22 2002 - 05:46:29 PDT)
Bill Ross
- Re: carnal output trajectory (Wed Oct 30 2002 - 08:37:00 PST)
- Re: carnal output trajectory (Thu Oct 24 2002 - 14:26:15 PDT)
- Re: How to define a sphere to minimize? (Mon Oct 21 2002 - 08:11:19 PDT)
- Re: error message (Wed Oct 16 2002 - 12:22:44 PDT)
Bimo Ario Tejo
- time correlation function (Fri Oct 25 2002 - 07:47:28 PDT)
- once again: residue cross-correlation (Fri Oct 25 2002 - 07:39:40 PDT)
- residue cross-correlation (Thu Oct 24 2002 - 14:15:50 PDT)
- number of H-bonds (Sat Oct 19 2002 - 21:54:44 PDT)
- NTX / IREST inconsistency (Fri Oct 04 2002 - 08:11:59 PDT)
- atomicfluct (Thu Oct 03 2002 - 04:40:47 PDT)
C. Klein
- what are "end group interactions"? (Mon Oct 07 2002 - 01:43:00 PDT)
Carlos P. Sosa
- systems.Re: sander7: MPI_COMM_RANK problem (Mon Oct 21 2002 - 12:44:56 PDT)
- Re: RESP gaussian job crashing (Thu Oct 03 2002 - 15:39:59 PDT)
Carlos Simmerling
- Re: Targeted MD (Mon Oct 28 2002 - 15:09:19 PST)
- Re: specification for memory requirement (Fri Oct 25 2002 - 18:55:42 PDT)
- Re: targeted MD (Fri Oct 18 2002 - 08:45:33 PDT)
- Re: loss of disulfide bonds (Mon Oct 14 2002 - 09:49:15 PDT)
Chen, Ya
- Problems with tes.antechamber (Tue Oct 29 2002 - 17:21:59 PST)
Christoph Brockmann
- Carnal table output (Fri Oct 18 2002 - 01:48:37 PDT)
- Re: nmr and positional restraint in input (Thu Oct 10 2002 - 02:12:49 PDT)
Chuck Schneider
- Re: MACHINE file for Tru64 ES45 (Tue Oct 08 2002 - 04:28:45 PDT)
CUI, Guanglei
- 2nd restart (Sun Oct 27 2002 - 09:02:30 PST)
- Re: question on ouput of sander (Mon Oct 21 2002 - 11:43:40 PDT)
- Re: Not able to use xleap ... (Mon Oct 21 2002 - 08:33:23 PDT)
- Re: Not able to use xleap ... (Mon Oct 21 2002 - 06:43:51 PDT)
- Re: Not able to use xleap ... (Fri Oct 18 2002 - 10:14:24 PDT)
- Re: Not able to use xleap ... (Fri Oct 18 2002 - 09:26:47 PDT)
- sander6 running and crashing at PSC? (Thu Oct 17 2002 - 10:17:40 PDT)
- Re: a leap question (Thu Oct 17 2002 - 06:43:24 PDT)
- Re: MACHINE file for Tru64 ES45 (Tue Oct 08 2002 - 06:47:16 PDT)
- MACHINE file for Tru64 ES45 (Mon Oct 07 2002 - 12:20:19 PDT)
david
- *.top file: "PARM-F-UHOSED, try again" (Thu Oct 31 2002 - 09:17:18 PST)
David A. Case
- Re: *.top file: "PARM-F-UHOSED, try again" (Thu Oct 31 2002 - 09:19:06 PST)
- Re: time correlation function (Thu Oct 31 2002 - 07:21:28 PST)
- Re: FEP - ligand to nothing (or water)?? (Tue Oct 29 2002 - 06:24:47 PST)
- Re: 64-bit Compilation SUN's forte compiler (Mon Oct 28 2002 - 19:41:15 PST)
- Re: leap - sander information flow (Mon Oct 28 2002 - 13:44:28 PST)
- Re: min output (Wed Oct 23 2002 - 16:51:06 PDT)
- Re: Dummy atoms... (Wed Oct 23 2002 - 09:35:31 PDT)
David A. Case
- Re: replacing fft routines (Tue Oct 22 2002 - 15:58:34 PDT)
- Re: MM-PGBSA Question!! (Tue Oct 22 2002 - 07:45:20 PDT)
- Re: question on ouput of sander (Mon Oct 21 2002 - 11:59:27 PDT)
- Re: reg: MAC OS (Mon Oct 21 2002 - 09:11:56 PDT)
- Re: Not able to use xleap ... (Fri Oct 18 2002 - 09:38:23 PDT)
- Re: targeted MD (Fri Oct 18 2002 - 08:32:14 PDT)
- cutoffs in GB (Thu Oct 17 2002 - 14:08:16 PDT)
- Re: dummy torsional parameters again. (Thu Oct 17 2002 - 10:58:38 PDT)
- Re: a leap question (Thu Oct 17 2002 - 08:35:01 PDT)
- Re: syntax (Wed Oct 16 2002 - 11:57:44 PDT)
- Re: IGB =4 with GAFF and bugfix24 incomplete? (Wed Oct 16 2002 - 11:55:24 PDT)
- Re: confusing error messages (Wed Oct 16 2002 - 11:42:15 PDT)
- Re: How to convert oldparmtop to newparmtop? (Wed Oct 16 2002 - 11:04:59 PDT)
- Re: Can I use belly and ntr at the same time? (Wed Oct 16 2002 - 08:45:49 PDT)
- Re: Bug in reading binary restart file with BOX parameters (Wed Oct 16 2002 - 08:27:51 PDT)
- Re: How to specify the counterion positions using xleap? (Wed Oct 16 2002 - 08:09:21 PDT)
- Re: Error in Antechamber program in ammber7 (Wed Oct 16 2002 - 08:04:40 PDT)
- Re: Error in Antechamber program in ammber7 (Tue Oct 15 2002 - 08:33:09 PDT)
- Re: Dummy torsions (Tue Oct 15 2002 - 08:25:41 PDT)
- Re: loss of disulfide bonds (Mon Oct 14 2002 - 11:10:50 PDT)
- Re: loss of disulfide bonds (Mon Oct 14 2002 - 09:04:30 PDT)
- Re: problem in sander (Fri Oct 11 2002 - 08:00:53 PDT)
- Re: about dummy parameter of multiplicity (Thu Oct 10 2002 - 11:37:40 PDT)
- Re: Dielectric constant for interior of proteins (Thu Oct 10 2002 - 11:33:19 PDT)
- Re: LINMIN FAILURE (Tue Oct 08 2002 - 18:33:07 PDT)
- Re: crdgrow (Tue Oct 08 2002 - 18:17:45 PDT)
- Re: xleap on a SGI Fuel (Mon Oct 07 2002 - 19:50:33 PDT)
- Re: Different numbers on different architectures. (Fri Oct 04 2002 - 09:26:07 PDT)
- Re: NTX / IREST inconsistency (Fri Oct 04 2002 - 08:35:07 PDT)
- Re: compiling SGI/mpi (Fri Oct 04 2002 - 08:07:23 PDT)
- Re: compiling SGI/mpi (Thu Oct 03 2002 - 18:50:11 PDT)
- Re: MM-GBSA and counterions (Thu Oct 03 2002 - 13:43:35 PDT)
- Re: regarding resp-doubts (Thu Oct 03 2002 - 09:10:48 PDT)
- Re: Questions on crosslinking residues (Thu Oct 03 2002 - 08:04:18 PDT)
- Re: xleap XENVIRONMENT (Wed Oct 02 2002 - 16:55:31 PDT)
- Re: Questions on crosslinking residues (Wed Oct 02 2002 - 16:34:47 PDT)
- Re: tutorial on plastocyanin (Wed Oct 02 2002 - 07:48:27 PDT)
- Re: antechamber web page (Tue Oct 01 2002 - 16:00:33 PDT)
- Re: NON-BONDED INTERACTION (Tue Oct 01 2002 - 08:28:00 PDT)
David Case
- Re: Compiler & Hardware requirement of AMBER7 ? (Mon Oct 14 2002 - 22:51:43 PDT)
David Smith
- Re: How to define a sphere to minimize? (Mon Oct 21 2002 - 04:00:03 PDT)
- Different numbers on different architectures. (Fri Oct 04 2002 - 06:33:24 PDT)
- Re: RESP gaussian job crashing (Fri Oct 04 2002 - 05:08:53 PDT)
Elsa de Sousa Henriques
- Re: rdparm (Tue Oct 08 2002 - 19:40:58 PDT)
Emma.Sigfridsson_at_astrazeneca.com
- MM-PBSA and Insight's version of Delphi (Mon Oct 14 2002 - 00:47:21 PDT)
Eric ARNOULT
- CH2Cl2 box (Mon Oct 14 2002 - 10:51:21 PDT)
Fernando Martin
- RE: 64-bit Compilation SUN's forte compiler (Mon Oct 28 2002 - 16:24:21 PST)
- 64-bit Compilation SUN's forte compiler (Mon Oct 28 2002 - 15:15:52 PST)
Florian Barth
- replacing fft routines (Tue Oct 22 2002 - 13:08:14 PDT)
giudice
- Truncated Octahedron Box (Thu Oct 17 2002 - 06:06:28 PDT)
Giulio Rastelli
- Targeted MD (Mon Oct 28 2002 - 13:44:05 PST)
- total energies during MM-PBSA (Sun Oct 27 2002 - 10:20:19 PST)
- targeted MD (Fri Oct 18 2002 - 07:28:48 PDT)
- MM-PBSA tutorial (Thu Oct 10 2002 - 07:22:59 PDT)
- reaction field energy of a ligand in MM-PBSA (Wed Oct 09 2002 - 11:04:10 PDT)
- xleap on a SGI Fuel (Mon Oct 07 2002 - 07:50:39 PDT)
Guillermo Mulliert Carl�n
- How to define a sphere to minimize? (Sun Oct 20 2002 - 23:46:57 PDT)
hagop demirdjian
- do I need to mutate H1 atoms to HC in a "not really" perturbed part of a molecule ? (Tue Oct 08 2002 - 07:51:50 PDT)
Holger Gohlke
- Re: xleap and modified sugar residues (Thu Oct 31 2002 - 11:54:23 PST)
- Re: IDECOMP (Wed Oct 30 2002 - 12:11:13 PST)
- Re: Carnal table output (Fri Oct 18 2002 - 08:20:57 PDT)
- Re: error message (Wed Oct 16 2002 - 10:38:34 PDT)
- Re: loss of disulfide bonds (Mon Oct 14 2002 - 08:51:01 PDT)
- Re: MM-PBSA tutorial (Thu Oct 10 2002 - 11:57:41 PDT)
- [Fwd: Re: trouble with snapshots GC option of MM_PBSA] (Thu Oct 10 2002 - 09:15:39 PDT)
hung_at_atc.atccu.chula.ac.th
- LINMIN FAILURE (Tue Oct 08 2002 - 17:41:00 PDT)
Ioana Cozmuta
- carnal (Thu Oct 31 2002 - 10:30:35 PST)
- Re: 64-bit Compilation SUN's forte compiler (Mon Oct 28 2002 - 15:33:49 PST)
- Re: HIS residues (Thu Oct 24 2002 - 14:51:40 PDT)
- min output (Wed Oct 23 2002 - 16:26:44 PDT)
- Re: allocation memory error (Tue Oct 22 2002 - 14:52:56 PDT)
- allocation memory error (Fri Oct 18 2002 - 12:50:22 PDT)
- Re: restraining atoms (Thu Oct 17 2002 - 10:54:37 PDT)
- syntax (Wed Oct 16 2002 - 11:14:54 PDT)
- restraining atoms (Wed Oct 16 2002 - 10:56:10 PDT)
- Re: How to specify the counterion positions using xleap? (Wed Oct 16 2002 - 10:45:06 PDT)
- problem in sander (Thu Oct 10 2002 - 19:11:06 PDT)
- Re: Some error message on Leap (Thu Oct 10 2002 - 15:22:51 PDT)
- question about antibodies (Thu Oct 10 2002 - 13:05:25 PDT)
- rdparm (Tue Oct 08 2002 - 10:33:41 PDT)
- crdgrow (Tue Oct 08 2002 - 10:19:23 PDT)
- (no subject) (Fri Oct 04 2002 - 17:12:44 PDT)
- Re: compiling SGI/mpi (Thu Oct 03 2002 - 20:09:02 PDT)
- compiling SGI/mpi (Thu Oct 03 2002 - 18:16:38 PDT)
- tutorial on plastocyanin (Tue Oct 01 2002 - 23:04:37 PDT)
- antechamber web page (Tue Oct 01 2002 - 15:33:36 PDT)
- Re: Is H-bonding really there? (Tue Oct 01 2002 - 14:44:55 PDT)
Jake Isaacs
- time averaged restraint parameters (Thu Oct 17 2002 - 13:09:59 PDT)
James W. Caldwell
- Re: LEaP: The parm and coord files disagree on the number of atoms (Tue Oct 29 2002 - 07:50:26 PST)
- Re: min output (Thu Oct 24 2002 - 09:01:15 PDT)
- Re: Antechamber generating bad charges w/ gaussian 98. (Wed Oct 23 2002 - 16:16:05 PDT)
- Re: problem with gibbs !!!! (Tue Oct 22 2002 - 07:34:23 PDT)
- Re: How to specify the counterion positions using xleap? (Wed Oct 16 2002 - 08:28:06 PDT)
- Re: loss of disulfide bonds (Mon Oct 14 2002 - 10:28:15 PDT)
- Re: regarding resp-doubts (Thu Oct 03 2002 - 09:35:26 PDT)
- Re: RESP gaussian job crashing (Thu Oct 03 2002 - 07:04:59 PDT)
Jianhui Wu
- Reference, GB 2, Amber7 (Thu Oct 17 2002 - 12:34:12 PDT)
- Reference for GB model 2 (Thu Oct 17 2002 - 12:26:18 PDT)
Joel Konkle-Parker
- Sander segmentation fault (Thu Oct 17 2002 - 12:28:48 PDT)
- DNA Tutorial: min_ntr.in (Fri Oct 11 2002 - 15:28:47 PDT)
kbyun_at_wesleyan.edu
- (no subject) (Tue Oct 08 2002 - 11:10:53 PDT)
Lepsa
- Fw: Re:SURFTEN for GB (Fri Oct 25 2002 - 06:55:12 PDT)
- Re:SURFTEN for GB (Fri Oct 25 2002 - 06:51:30 PDT)
- Re: Patching AMBER7 with #24 (Wed Oct 23 2002 - 08:23:14 PDT)
- Re: Patching AMBER7 with #24 (Wed Oct 23 2002 - 00:49:07 PDT)
- Re: restraining atoms (Wed Oct 16 2002 - 23:56:17 PDT)
- Re: Error in Antechamber program in ammber7 (Tue Oct 15 2002 - 08:07:57 PDT)
- Re: MM-PBSA tutorial (Mon Oct 14 2002 - 00:14:47 PDT)
- Re: reaction field energy of a ligand in MM-PBSA (Wed Oct 09 2002 - 06:19:56 PDT)
- Re: xleap XENVIRONMENT (Thu Oct 03 2002 - 00:47:39 PDT)
Lich Nguyen
- Re: Protein jump out, please help (Thu Oct 24 2002 - 20:21:40 PDT)
- Protein jump out, please help (Thu Oct 24 2002 - 02:45:45 PDT)
Luo Liu
- 2D RMSd (Tue Oct 08 2002 - 01:32:34 PDT)
M. L. Dodson
- Re: How to specify the counterion positions using xleap? (Wed Oct 16 2002 - 17:10:22 PDT)
- perturbation of gln to glu (Sun Oct 13 2002 - 17:02:00 PDT)
- Re: Questions on crosslinking residues (Thu Oct 03 2002 - 05:42:08 PDT)
Mako Furukawa
- Re: AMBER6 on cluster (Mon Oct 07 2002 - 17:43:31 PDT)
- AMBER6 on cluster (Mon Oct 07 2002 - 17:12:28 PDT)
Marcela Madrid
- scaling of amber with number of atoms (Mon Oct 21 2002 - 12:23:59 PDT)
Marco Aur�lio Correia Preto
- Charges derivation question! (Wed Oct 30 2002 - 08:39:24 PST)
- Resp Multiconformational charge fitting! (Wed Oct 30 2002 - 03:50:52 PST)
Marco Preto
- Re: NVT system implosion!!! (Wed Oct 30 2002 - 10:46:07 PST)
- NVT system implosion!!! (Wed Oct 30 2002 - 16:29:24 PST)
- Re: Minimization problem w/ counter-ion ! (Wed Oct 30 2002 - 11:11:58 PST)
- Minimization problem w/ counter-ion ! (Wed Oct 30 2002 - 18:54:27 PST)
- Re: no MD output (Wed Oct 30 2002 - 10:33:30 PST)
- Re: MD steps limit in sander (Amber 6) (Wed Oct 30 2002 - 19:41:01 PST)
- MD steps limit in sander (Amber 6) (Wed Oct 30 2002 - 18:09:14 PST)
- Re: RESP-group constraint (Wed Oct 30 2002 - 08:50:21 PST)
Margaret Cheung
- Re: carnal output trajectory (Thu Oct 24 2002 - 13:57:50 PDT)
- Re: error message (Wed Oct 16 2002 - 10:56:50 PDT)
- Re: geometry optimization/turning off Elec and Vdw terms (Mon Oct 07 2002 - 15:26:01 PDT)
Mark C. Ballew
- Re: xleap XENVIRONMENT (Thu Oct 03 2002 - 14:09:25 PDT)
- xleap XENVIRONMENT (Wed Oct 02 2002 - 15:34:09 PDT)
Mark Hsieh
- IDECOMP (Wed Oct 30 2002 - 10:11:02 PST)
Matteo Dal Peraro
- sander7: MPI_COMM_RANK problem (Mon Oct 21 2002 - 12:17:14 PDT)
Mengjuei Hsieh
- Re: reg: MAC OS (Mon Oct 21 2002 - 11:13:35 PDT)
Mercury
- NAV detected a virus in a document YOU sent to webmaster.nctimes.com. (Thu Oct 31 2002 - 19:12:51 PST)
Michael Ford
- xleap and modified sugar residues (Thu Oct 31 2002 - 11:22:17 PST)
- Re: *.top file: "PARM-F-UHOSED, try again" (Thu Oct 31 2002 - 09:43:10 PST)
- mm_pbsa error message (warning?) (Tue Oct 29 2002 - 14:47:02 PST)
- mm_pbsa curious output of coordinates and resulting errors... (Tue Oct 29 2002 - 14:01:43 PST)
- Re: Solvent exposed surface area over a trajectory (Thu Oct 17 2002 - 12:09:17 PDT)
- Re: How to convert oldparmtop to newparmtop? (Wed Oct 16 2002 - 12:47:57 PDT)
- Re: Some error message on Leap (Thu Oct 10 2002 - 14:27:03 PDT)
- Re: trouble with snapshots GC option of MM_PBSA - Now no output for lig and rec (Thu Oct 10 2002 - 08:10:35 PDT)
- Re: trouble with snapshots GC option of MM_PBSA (Thu Oct 10 2002 - 07:31:05 PDT)
- trouble with snapshots GC option of MM_PBSA (Thu Oct 10 2002 - 07:23:24 PDT)
- MM-GBSA and counterions (Thu Oct 03 2002 - 12:27:27 PDT)
Michael G Cooney
- Re: Protein jump out, please help (Thu Oct 24 2002 - 11:51:52 PDT)
Michal Otyepka
- restart without velocities (Wed Oct 02 2002 - 00:39:02 PDT)
Miguel de Federico
- LEaP: The parm and coord files disagree on the number of atoms (Tue Oct 29 2002 - 00:24:58 PST)
- Dummy atoms... (Wed Oct 23 2002 - 00:44:34 PDT)
- Re: regarding resp-doubts (Thu Oct 03 2002 - 09:01:23 PDT)
Narang Manpreet Kaur
- Error in Antechamber program in ammber7 (Tue Oct 15 2002 - 07:49:52 PDT)
Narang Manpreet Kaur
- Re: Error in Antechamber program in ammber7 (Tue Oct 15 2002 - 22:01:45 PDT)
Natasja Brooijmans
- Re: HIS residues (Thu Oct 24 2002 - 16:09:55 PDT)
- Re: Amber Crd format (Tue Oct 22 2002 - 12:04:43 PDT)
- Re: Solvent exposed surface area over a trajectory (Thu Oct 17 2002 - 12:35:34 PDT)
- Re: error message (Wed Oct 16 2002 - 10:48:41 PDT)
- Re: loss of disulfide bonds (Mon Oct 14 2002 - 09:46:54 PDT)
Nicholson, James D Mr ARO
- RE: Antechamber generating bad charges w/ gaussian 98. (Wed Oct 23 2002 - 19:12:32 PDT)
- RE: Antechamber generating bad charges w/ gaussian 98. (Wed Oct 23 2002 - 19:00:47 PDT)
- Antechamber generating bad charges w/ gaussian 98. (Wed Oct 23 2002 - 14:50:56 PDT)
- RE: RESP gaussian job crashing (Thu Oct 03 2002 - 14:57:46 PDT)
- RESP gaussian job crashing (Wed Oct 02 2002 - 18:22:59 PDT)
- RE: Questions on crosslinking residues (Wed Oct 02 2002 - 18:03:47 PDT)
- Questions on crosslinking residues (Tue Oct 01 2002 - 14:59:19 PDT)
Nicolas Le Novere
- loss of disulfide bonds (Mon Oct 14 2002 - 08:31:23 PDT)
Nicolas Grima
- Re: write problem on IBM-AIX (Tue Oct 01 2002 - 02:40:07 PDT)
Peter VARNAI
- Re: targeted MD (Sat Oct 19 2002 - 07:26:30 PDT)
- solved: nmr and positional restraint in input (Thu Oct 10 2002 - 08:26:27 PDT)
- nmr and positional restraint in input (Wed Oct 09 2002 - 10:44:03 PDT)
Pierre Mignon
- dummy parameters (Wed Oct 16 2002 - 00:10:46 PDT)
Pratul Agarwal
- quasih (Mon Oct 28 2002 - 14:25:02 PST)
- Re: Dielectric constant for interior of proteins (Thu Oct 10 2002 - 12:25:51 PDT)
- Dielectric constant for interior of proteins (Thu Oct 10 2002 - 10:53:59 PDT)
- Re: SHAKE problem (Wed Oct 09 2002 - 06:39:55 PDT)
- Re: EGB = NaNQ (Fri Oct 04 2002 - 13:26:47 PDT)
- EGB = NaNQ (Thu Oct 03 2002 - 14:05:55 PDT)
Rebecca Perlow
- Solvent exposed surface area over a trajectory (Thu Oct 17 2002 - 11:20:03 PDT)
Richard Henchman
- Re: loss of disulfide bonds (Mon Oct 14 2002 - 10:44:30 PDT)
Ross Walker
- RE: Not able to use xleap ... (Sat Oct 19 2002 - 02:51:30 PDT)
- RE: Sander multiprocessors running problem with MPI (Wed Oct 02 2002 - 10:52:27 PDT)
sam_008_at_www.com
- RE:SAMUEL METU (Thu Oct 03 2002 - 18:46:51 PDT)
- RE:SAMUEL METU (Thu Oct 03 2002 - 18:46:50 PDT)
Sanjeev B.S.
- Re: carnal output trajectory (Wed Oct 30 2002 - 05:50:45 PST)
- Re: number of H-bonds (Sat Oct 19 2002 - 22:14:32 PDT)
- Re: Solvent exposed surface area over a trajectory (Thu Oct 17 2002 - 12:18:56 PDT)
- Imaging & fitting in carnal (Thu Oct 17 2002 - 04:01:55 PDT)
- Re: crdgrow (Tue Oct 08 2002 - 10:24:09 PDT)
- Re: restart without velocities (Wed Oct 02 2002 - 00:44:57 PDT)
Scott Brozell
- Re: 64-bit Compilation SUN's forte compiler (Mon Oct 28 2002 - 16:00:08 PST)
Shimono Fumihiro
- Re: about AMBER parallel edition (Thu Oct 03 2002 - 04:46:14 PDT)
- about AMBER parallel edition (Thu Oct 03 2002 - 04:07:36 PDT)
Shunzhou Wan
- period boundary (Fri Oct 11 2002 - 08:50:39 PDT)
Sichun Yang
- question on belly and restraint (Wed Oct 30 2002 - 12:54:37 PST)
- Re: question on ouput of sander (Mon Oct 21 2002 - 11:45:29 PDT)
- question on ouput of sander (Mon Oct 21 2002 - 11:19:17 PDT)
- docking in amber? (Thu Oct 10 2002 - 16:44:45 PDT)
- Some error message on Leap (Thu Oct 10 2002 - 13:15:43 PDT)
Soonmin Jang
- RMSD calculation question (Fri Oct 04 2002 - 00:02:37 PDT)
St�phane Teletch�a
- Re: carnal output trajectory (Wed Oct 30 2002 - 05:50:19 PST)
- Re: Not able to use xleap ... (Mon Oct 21 2002 - 08:02:25 PDT)
- Re: Not able to use xleap ... (Mon Oct 21 2002 - 00:08:12 PDT)
- Re: Not able to use xleap ... (Fri Oct 18 2002 - 10:24:38 PDT)
- Not able to use xleap ... (Fri Oct 18 2002 - 08:58:21 PDT)
Sue Heavner
- mm_pbsa-amber7 (Tue Oct 22 2002 - 12:06:01 PDT)
sxzheng
- How to choose the box and cap size (Wed Oct 30 2002 - 22:42:27 PST)
- Can I use belly and ntr at the same time? (Wed Oct 16 2002 - 08:21:10 PDT)
- volume of ucell too big!! (Fri Oct 11 2002 - 08:06:52 PDT)
- about dummy parameter of multiplicity (Thu Oct 10 2002 - 00:55:15 PDT)
thenmalar rathinavelan
- regarding resp-doubts (Thu Oct 03 2002 - 01:21:51 PDT)
Thomas Steinbrecher
- Sander Recompilation for the Biotin-Streptavidin Tutorial? (Wed Oct 30 2002 - 07:46:30 PST)
Tod Pascal
- Amber Crd format (Tue Oct 22 2002 - 11:21:05 PDT)
- Amber 4 question (Fri Oct 18 2002 - 15:42:40 PDT)
Tom Bishop
- IGB =4 with GAFF and bugfix24 incomplete? (Wed Oct 16 2002 - 11:12:37 PDT)
- IBELLY and NMROPT in sander (Thu Oct 10 2002 - 09:54:43 PDT)
- geometry optimization/turning off Elec and Vdw terms (Mon Oct 07 2002 - 13:17:52 PDT)
Venkanna Belde
- Sir, (Thu Oct 17 2002 - 02:33:18 PDT)
vijay dasa
- Hello Amber, (Mon Oct 28 2002 - 02:20:24 PST)
- Amber (Sun Oct 27 2002 - 22:51:02 PST)
Vlad
- Bug in reading binary restart file with BOX parameters (Tue Oct 15 2002 - 19:58:54 PDT)
- Potential bug in gbsa.h of sander-7 (Mon Oct 14 2002 - 17:35:58 PDT)
Vlad Cojocaru
- carnal output trajectory (Wed Oct 30 2002 - 05:25:36 PST)
- carnal output trajectory (Fri Oct 25 2002 - 02:50:55 PDT)
- carnal output trajectory (Thu Oct 24 2002 - 13:07:35 PDT)
- a leap question (Thu Oct 17 2002 - 06:20:23 PDT)
- more information about the previous email (Wed Oct 16 2002 - 10:26:43 PDT)
- error message (Wed Oct 16 2002 - 10:25:01 PDT)
- pressure variation coupled with taup value (Mon Oct 14 2002 - 02:36:42 PDT)
wang lan
- new telescopes-Maksutov-Cassegrain, reflector, refractor (Tue Oct 15 2002 - 04:42:50 PDT)
- new telescopes-Maksutov-Cassegrain, reflector, refractor (Tue Oct 15 2002 - 04:13:49 PDT)
Wiktor Jurkowski
- leap - sander information flow (Mon Oct 28 2002 - 04:34:51 PST)
- Re: regarding resp-doubts (Thu Oct 03 2002 - 08:41:13 PDT)
William Wei
- Sander multiprocessors running problem with MPI (Wed Oct 02 2002 - 11:09:49 PDT)
X. Tan
- dummy torsional parameters again. (Thu Oct 17 2002 - 09:52:05 PDT)
Ying Zhao
- How to do 2dRMS in ptraj (Thu Oct 10 2002 - 12:33:43 PDT)
Yu Chen
- Amber6 and MPI (Wed Oct 23 2002 - 11:10:30 PDT)
yuann
- specification for memory requirement (Fri Oct 25 2002 - 17:37:13 PDT)
- Re: Compiler & Hardware requirement of AMBER7 ? (Tue Oct 22 2002 - 07:30:34 PDT)
- Compiler & Hardware requirement of AMBER7 ? (Mon Oct 14 2002 - 21:08:12 PDT)

Amber Archive Oct 2002 by author