Amber Archive Aug 2002: by author

A. Hungie
- dump coordinate into mdcrd (Fri Aug 30 2002 - 01:03:17 PDT)
- force field name (Thu Aug 15 2002 - 06:50:48 PDT)
Alan Leo
- Re: add DUMMY atom into coordinate file (Fri Aug 16 2002 - 12:51:35 PDT)
amber_at_heimdal.compchem.ucsf.edu
- Using GBSA for a DNA-PROTEIN complex (fwd) (Mon Aug 26 2002 - 14:52:06 PDT)
- Re: "number of processors must be a power of two" (fwd) (Mon Aug 26 2002 - 14:52:01 PDT)
- Scaling of Sander on Linux Clusters (fwd) (Mon Aug 26 2002 - 14:51:57 PDT)
- Re: Extra points (fwd) (Mon Aug 26 2002 - 14:51:49 PDT)
- leaprc file (fwd) (Mon Aug 26 2002 - 14:51:44 PDT)
- a more general question (fwd) (Mon Aug 26 2002 - 14:51:41 PDT)
- leaprc file (fwd) (Mon Aug 26 2002 - 14:51:29 PDT)
- a more general question about ff (fwd) (Mon Aug 26 2002 - 14:51:25 PDT)
- turning off ewald (fwd) (Mon Aug 26 2002 - 14:51:21 PDT)
- Re: Etot drops after restarting MD in sander (fwd) (Mon Aug 26 2002 - 14:51:16 PDT)
- Carnal RMSDs (fwd) (Mon Aug 26 2002 - 14:51:12 PDT)
- How to make mpeg files from amber trajectories (fwd) (Mon Aug 26 2002 - 14:51:07 PDT)
- Re: Can we get trajectories coordinates after FIT in Carnal? (fwd) (Mon Aug 26 2002 - 14:51:03 PDT)
- why is mm_pbsa broken ? (fwd) (Mon Aug 26 2002 - 14:50:59 PDT)
- regarding RESP run from gamess output (fwd) (Mon Aug 26 2002 - 14:50:55 PDT)
- amber7, gaff and minimization (fwd) (Mon Aug 26 2002 - 14:50:50 PDT)
- QUICK HELP! Parameters for neutral amino acids (fwd) (Mon Aug 26 2002 - 14:50:43 PDT)
- Gibbs (FEP) (fwd) (Mon Aug 26 2002 - 14:50:36 PDT)
- ambpdb problem (fwd) (Mon Aug 26 2002 - 14:50:32 PDT)
- why is mm_pbsa broken ? (fwd) (Mon Aug 26 2002 - 14:50:27 PDT)
- ewald bomb in md equilibration (fwd) (Mon Aug 26 2002 - 14:50:14 PDT)
- adding_hydrogens_to_pdb (fwd) (Mon Aug 26 2002 - 14:50:07 PDT)
- Perturbation with sander : trouble in keeping perturbed part bonded to unperturbed (fwd) (Mon Aug 26 2002 - 14:50:02 PDT)
- RMSD by residue (fwd) (Mon Aug 26 2002 - 14:49:39 PDT)
Andreas Kerzmann
- example gibbs file for the methane tutorial (Fri Aug 30 2002 - 03:18:06 PDT)
- What's this "interface" the tutorial talks about? (Wed Aug 28 2002 - 05:41:01 PDT)
- Re: namelist error with sander (Mon Aug 12 2002 - 05:40:12 PDT)
- namelist error with sander (Fri Aug 09 2002 - 01:47:53 PDT)
Anke Eisenmann
- Re: how to make mpeg files from amber trajectories (Tue Aug 27 2002 - 07:41:01 PDT)
Bill Ross
- [Re: can carnal do the job as anal to break down the energy?] (Wed Aug 28 2002 - 13:35:40 PDT)
- Re: Carnal RMSDs (Mon Aug 26 2002 - 16:56:50 PDT)
- Re: Can we get trajectories coordinates after FIT in Carnal? (Mon Aug 26 2002 - 16:54:25 PDT)
Bimo Ario Tejo
- creating a solvent box (Tue Aug 06 2002 - 10:23:13 PDT)
- problem with amber7 mpi (Thu Aug 01 2002 - 03:50:32 PDT)
C. Klein
- sander on NEC-SX5 (Thu Aug 15 2002 - 09:12:24 PDT)
- Re: look for benchmark with myrinet vs. 100-BT (Sun Aug 04 2002 - 01:21:29 PDT)
Carlos Simmerling
- Re: IMIN=5 ? (Was: Re: [Re: can carnal do the job as anal ...) (Thu Aug 29 2002 - 03:54:15 PDT)
- Fw: amber problem (Wed Aug 28 2002 - 10:10:26 PDT)
- Re: problem in MD (Tue Aug 27 2002 - 18:40:06 PDT)
- Re: restraints in parm in amber7 (Tue Aug 27 2002 - 18:38:59 PDT)
- Re: difference 94 99 force field (Tue Aug 27 2002 - 07:34:50 PDT)
- Re: RMSD by residue (fwd) (Mon Aug 26 2002 - 18:10:41 PDT)
- Re: problem with amber7 mpi (Thu Aug 01 2002 - 05:34:43 PDT)
Chris Switzer
- problem with amber7 compiling on SGI (Wed Aug 14 2002 - 18:26:54 PDT)
Claire Edmonds
- Information request - where to buy software (Mon Aug 05 2002 - 06:23:59 PDT)
Cozmuta
- protonation pH dependent (Thu Aug 08 2002 - 14:14:46 PDT)
- Re: charges-again (Wed Aug 07 2002 - 18:47:14 PDT)
- charges (Tue Aug 06 2002 - 16:24:14 PDT)
- check-up question (Tue Aug 06 2002 - 12:13:31 PDT)
- Re: Amber trajectory movies in Powerpoint (Tue Aug 06 2002 - 11:25:31 PDT)
- PROTON_INFO (Fri Aug 02 2002 - 20:25:37 PDT)
- water box-nonperiodic (Fri Aug 02 2002 - 20:14:35 PDT)
- proton_info/PS (Thu Aug 01 2002 - 10:29:02 PDT)
- file (Thu Aug 01 2002 - 10:24:13 PDT)
CUI, Guanglei
- Re: GB in amber6 (Fri Aug 16 2002 - 06:25:52 PDT)
- Re: GB in amber6 (Thu Aug 15 2002 - 19:33:27 PDT)
- Re: distance restraint stuff (Thu Aug 01 2002 - 08:44:25 PDT)
- Re: Potential Energy and RMS-Deviation Issues (Thu Aug 01 2002 - 08:38:36 PDT)
darden
- Re: your mail (Wed Aug 07 2002 - 04:58:17 PDT)
David A. Case
- Re: ewald bomb (Fri Aug 30 2002 - 12:13:14 PDT)
- Re: NTX value (Fri Aug 30 2002 - 12:07:44 PDT)
- Re: Interface and Amber 7.0 (Tue Aug 27 2002 - 04:53:45 PDT)
- Re: amber7, gaff and minimization (fwd) (Mon Aug 26 2002 - 18:35:26 PDT)
- Re: QUICK HELP! Parameters for neutral amino acids (fwd) (Mon Aug 26 2002 - 18:32:50 PDT)
- Re: Gibbs (FEP) (fwd) (Mon Aug 26 2002 - 18:30:28 PDT)
- Re: ambpdb problem (fwd) (Mon Aug 26 2002 - 18:27:08 PDT)
- Re: ewald bomb in md equilibration (fwd) (Mon Aug 26 2002 - 18:23:52 PDT)
- Re: Perturbation with sander : trouble in keeping perturbed part bonded to unperturbed (fwd) (Mon Aug 26 2002 - 18:21:06 PDT)
- Re: turning off ewald (fwd) (Mon Aug 26 2002 - 18:12:29 PDT)
- Re: leaprc file (fwd) (Mon Aug 26 2002 - 18:09:22 PDT)
- Re: adding_hydrogens_to_pdb (fwd) (Mon Aug 26 2002 - 17:34:36 PDT)
- Re: Im lost (Tue Aug 20 2002 - 08:15:29 PDT)
- Re: Antibody residue numbering (Mon Aug 19 2002 - 14:15:45 PDT)
- Re: antechamber's prepc option (Fri Aug 16 2002 - 13:10:55 PDT)
- Re: PMF with sander module (Fri Aug 16 2002 - 12:23:16 PDT)
- Re: Extra points (Thu Aug 15 2002 - 16:01:21 PDT)
- Re: trajectory file limit??? (Thu Aug 15 2002 - 10:26:34 PDT)
- Re: E going up and down??? (Wed Aug 14 2002 - 15:16:05 PDT)
- Re: Q: waters in NPT & periodic boundary condition (Wed Aug 14 2002 - 09:45:46 PDT)
- Re: GB in Amber7 (Wed Aug 14 2002 - 08:33:57 PDT)
- Re: minimization in amber7 for nonperiodic systems (Wed Aug 14 2002 - 08:28:21 PDT)
- Re: Format of prep input files (Tue Aug 13 2002 - 11:13:47 PDT)
- Re: Memory and swap in sander (Mon Aug 12 2002 - 08:55:55 PDT)
- Re: Constant pressure MD problems (sander) (Mon Aug 12 2002 - 08:47:10 PDT)
- Re: literature for NVE (Mon Aug 12 2002 - 08:38:45 PDT)
- Re: LINMIN failure during minimization (Fri Aug 09 2002 - 09:09:09 PDT)
- Re: namelist error with sander (Fri Aug 09 2002 - 08:50:27 PDT)
- Re: protonation pH dependent (Thu Aug 08 2002 - 15:05:25 PDT)
- using belly with GB (Wed Aug 07 2002 - 18:36:18 PDT)
- Re: charges (Wed Aug 07 2002 - 18:35:07 PDT)
- Re: check-up question (Tue Aug 06 2002 - 14:14:56 PDT)
- Re: Leap error: PDB file with more than 10000 residues (Tue Aug 06 2002 - 14:13:30 PDT)
- Re: am1-bcc charges (Tue Aug 06 2002 - 12:32:12 PDT)
- Re: creating a solvent box (Tue Aug 06 2002 - 11:53:50 PDT)
- Re: "number of processors must be a power of two" (Tue Aug 06 2002 - 09:40:33 PDT)
- Re: Generalized Born and OPLS potential (Mon Aug 05 2002 - 08:51:30 PDT)
- Re: reorder water with nmropt (Fri Aug 02 2002 - 09:01:22 PDT)
- Re: file (Thu Aug 01 2002 - 13:46:52 PDT)
- Re: Potential Energy and RMS-Deviation Issues (Thu Aug 01 2002 - 09:25:57 PDT)
David Case
- Re: GBSA with IGB=2, setting the PBradii bondi (Sat Aug 31 2002 - 10:58:35 PDT)
- Re: GB in amber6 (Thu Aug 15 2002 - 22:23:23 PDT)
- minimization in amber7 for nonperiodic systems (Tue Aug 13 2002 - 22:47:43 PDT)
- Re: Nanotubes with AMBER (Sun Aug 11 2002 - 21:13:23 PDT)
- Re: mpich, I/O, Master node, filesystem (Wed Aug 07 2002 - 22:14:25 PDT)
- Re: MD in alcohol (Sun Aug 04 2002 - 22:31:40 PDT)
- Re: Import of CHARMM force field and GB potential parameters into Amber7 (Sun Aug 04 2002 - 22:25:28 PDT)
- problems with parallel sander on linux clusters? (Sun Aug 04 2002 - 11:34:20 PDT)
- Re: Please give me a hand on understanding AMBER/MPI and locmem. (Sat Aug 03 2002 - 13:02:42 PDT)
- Re: water box-nonperiodic (Fri Aug 02 2002 - 22:16:18 PDT)
David Pearlman
- Re: What's this "interface" the tutorial talks about? (Wed Aug 28 2002 - 12:49:57 PDT)
- Re: Interface and Amber 7.0 (Tue Aug 27 2002 - 09:35:19 PDT)
DeLano, Warren
- PyMOL + AMBER Trajectories (Thu Aug 29 2002 - 11:27:01 PDT)
dianah_at_unm.edu
- Format of prep input files (Tue Aug 13 2002 - 10:42:11 PDT)
- Using the new2oldparm command (Thu Aug 01 2002 - 13:18:32 PDT)
Douglas Kojetin
- RE: Vanderbilt Biomolecular Modeling Symposium (Fri Aug 30 2002 - 12:22:19 PDT)
Elsa de Sousa Henriques
- Re: Amber trajectory movies in Powerpoint (Tue Aug 06 2002 - 18:58:15 PDT)
giudice
- NTX value (Fri Aug 30 2002 - 03:31:19 PDT)
Giulio Rastelli
- dihedral parameter for conjugated double bonds in GAFF (Fri Aug 16 2002 - 09:37:03 PDT)
- Re: minimization in amber7 for nonperiodic systems (Wed Aug 14 2002 - 08:03:11 PDT)
- dihedral parameter for conjugated double bonds in GAFF (Wed Aug 14 2002 - 01:37:50 PDT)
- LINMIN failure during minimization (Fri Aug 09 2002 - 01:46:18 PDT)
- (no subject) (Wed Aug 07 2002 - 02:07:21 PDT)
Hagedorn, Dan N
- FW: Compiling on HP-UX 11.00 (Fri Aug 09 2002 - 11:45:00 PDT)
Haizhen Zhong
- can carnal do the job as anal to break down the energy? (Wed Aug 28 2002 - 11:02:48 PDT)
- Re: nmode segmentation fault (Fri Aug 09 2002 - 06:46:19 PDT)
Holger Gohlke
- Re: Tutorial Error Message (Thu Aug 29 2002 - 08:22:25 PDT)
- [Re: can carnal do the job as anal to break down the energy?] (Wed Aug 28 2002 - 11:36:51 PDT)
- Re: why is mm_pbsa broken ? (fwd) (Tue Aug 27 2002 - 10:12:17 PDT)
- Re: RMSD by residue (fwd) (Mon Aug 26 2002 - 18:08:35 PDT)
- Re: Help needed about mm_pbsa (Thu Aug 15 2002 - 10:04:03 PDT)
- Re: Can we get trajectories coordinates after FIT in Carnal? (Wed Aug 14 2002 - 14:29:41 PDT)
- Re: nmode segmentation fault (Thu Aug 08 2002 - 11:16:11 PDT)
- Re: Using the new2oldparm command (Thu Aug 01 2002 - 13:52:23 PDT)
Jake Isaacs
- Re: How to make mpeg files from amber trajectories (fwd) (Tue Aug 27 2002 - 06:48:24 PDT)
James W. Caldwell
- Re: NTX value (Fri Aug 30 2002 - 11:35:30 PDT)
- Re: NTX value (Fri Aug 30 2002 - 09:10:10 PDT)
- Re: ES40 hangs amber7 jobs. (Fri Aug 30 2002 - 09:07:11 PDT)
- Re: iwrap and image (Wed Aug 28 2002 - 07:35:50 PDT)
- mail reflector (Mon Aug 26 2002 - 15:35:53 PDT)
- test (Mon Aug 26 2002 - 15:04:35 PDT)
Jarrod Smith
- Vanderbilt Biomolecular Modeling Symposium (Fri Aug 30 2002 - 11:00:40 PDT)
jeff dyason
- Compiling Amber7 for a multiprocessor SUN Ultra-Sparc system. (Wed Aug 07 2002 - 21:45:49 PDT)
Jerry Matthew Parks
- Nitro parameters (Wed Aug 21 2002 - 14:28:48 PDT)
Jianhui Wu
- Binding site volume/Sander MD (Fri Aug 30 2002 - 14:20:09 PDT)
- Amber/Gentoo linux (Fri Aug 09 2002 - 12:53:16 PDT)
- Gentoo vs. Redhat Linux, shared/distributed filesystem (Thu Aug 08 2002 - 12:44:53 PDT)
- mpich, I/O, Master node, filesystem (Wed Aug 07 2002 - 21:24:13 PDT)
- Amber+Mosix (Wed Aug 07 2002 - 13:40:15 PDT)
- look for benchmark with myrinet vs. 100-BT (Fri Aug 02 2002 - 10:15:29 PDT)
jim caldwell
- mail host switchover (Mon Aug 19 2002 - 14:58:11 PDT)
- Re: Extra points (Thu Aug 15 2002 - 14:54:21 PDT)
- Re: trajectory file limit??? (Thu Aug 15 2002 - 12:26:13 PDT)
- Re: nmode segmentation fault (Thu Aug 08 2002 - 11:21:03 PDT)
- Re: Leap error: PDB file with more than 10000 residues (Tue Aug 06 2002 - 14:57:34 PDT)
Jithesh
- Re: Running amber7 on Param10000 (Thu Aug 15 2002 - 00:35:46 PDT)
- GB in Amber7 (Wed Aug 14 2002 - 01:37:54 PDT)
Jiyoung Heo
- E going up and down??? (Wed Aug 14 2002 - 14:13:44 PDT)
Joel Konkle-Parker
- Tutorial Error Message (Wed Aug 28 2002 - 16:19:48 PDT)
John Bushnell
- sander minimizations failing (Tue Aug 13 2002 - 17:03:12 PDT)
Karen Haskell
- RE: sander on NEC-SX5 (Thu Aug 15 2002 - 09:38:57 PDT)
- RE: Using the new2oldparm command (Thu Aug 01 2002 - 13:55:28 PDT)
Khatcharin Siriwong
- Re: literature for NVE (Mon Aug 12 2002 - 09:19:03 PDT)
- literature for NVE (Mon Aug 12 2002 - 02:07:05 PDT)
Kristina Furse
- FWD: RE: Including explicit waters in GB dynamics (Fri Aug 02 2002 - 13:32:52 PDT)
Layi Adekoya
- distance restraint stuff (Thu Aug 01 2002 - 08:24:50 PDT)
Mahadevan Seetharaman
- MD on cytochrome (Thu Aug 01 2002 - 14:15:52 PDT)
Marc DOBLER
- Re: MD in alcohol (Mon Aug 05 2002 - 01:46:17 PDT)
- MD in alcohol (Sun Aug 04 2002 - 19:33:52 PDT)
Margaret Cheung
- RE: Amber/Gentoo linux (Sun Aug 11 2002 - 16:31:02 PDT)
- Re: Please give me a hand on understanding AMBER/MPI and locmem. (Sat Aug 03 2002 - 15:23:50 PDT)
- Please give me a hand on understanding AMBER/MPI and locmem. (Fri Aug 02 2002 - 23:49:46 PDT)
- Re: look for benchmark with myrinet vs. 100-BT (Fri Aug 02 2002 - 11:20:22 PDT)
Mark Hsieh
- RE: Antibody residue numbering (Tue Aug 20 2002 - 09:52:24 PDT)
- RE: Antibody residue numbering (Mon Aug 19 2002 - 18:00:03 PDT)
- Antibody residue numbering (Mon Aug 19 2002 - 13:56:00 PDT)
Masaki Tomimoto
- RE: Order of a protein, bound waters and ligand in saveamberparm (Thu Aug 15 2002 - 15:04:18 PDT)
- Order of a protein, bound waters and ligand in saveamberparm (Thu Aug 15 2002 - 13:25:45 PDT)
- Q: waters in NPT & periodic boundary condition (Wed Aug 14 2002 - 09:06:15 PDT)
Matthew Lee
- a couple missing gaff angle terms (Fri Aug 16 2002 - 14:55:44 PDT)
- antechamber's prepc option (Fri Aug 16 2002 - 12:20:59 PDT)
Matthew Randolph Lee, Ph.D.
- Re: a missing variable (Wed Aug 28 2002 - 15:27:12 PDT)
- follow-up post on missing gaff terms (Tue Aug 20 2002 - 10:21:50 PDT)
- mol2_to_off (Fri Aug 16 2002 - 15:15:41 PDT)
mdk7p_at_cms.mail.virginia.edu
- Amber trajectory movies in Powerpoint (Tue Aug 06 2002 - 08:53:39 PDT)
- Potential Energy and RMS-Deviation Issues (Thu Aug 01 2002 - 08:01:07 PDT)
mer_at_chem.wayne.edu
- average of LES copies (Sun Aug 18 2002 - 18:00:22 PDT)
mer_at_gordon.chem.wayne.edu
- PMF with sander module (Wed Aug 14 2002 - 16:23:25 PDT)
Michael Crowley
- Re: "number of processors must be a power of two" (Tue Aug 06 2002 - 10:31:50 PDT)
Michael G Cooney
- misdirected message (Mon Aug 12 2002 - 12:35:35 PDT)
- chesey.panther.gsu.edu (Mon Aug 12 2002 - 12:03:37 PDT)
Michael Jakusch
- Re: IMIN=5 ? (Was: Re: [Re: can carnal do the job as anal ...) (Thu Aug 29 2002 - 04:56:12 PDT)
- IMIN=5 ? (Was: Re: [Re: can carnal do the job as anal ...) (Thu Aug 29 2002 - 00:36:57 PDT)
Michael Petersen
- Re: problem reading rstrnt file with pgf77 (Fri Aug 16 2002 - 06:23:48 PDT)
- problem reading rstrnt file with pgf77 compiled sander (Wed Aug 14 2002 - 03:13:24 PDT)
Michal Otyepka
- Re: How to make mpeg files from amber trajectories (fwd) (Wed Aug 28 2002 - 00:22:54 PDT)
Nicholson, James D Mr ARO
- Solvated DNA using Amber 7 (Thu Aug 01 2002 - 14:32:13 PDT)
Nigel D Priestley
- Interface and Amber 7.0 (Mon Aug 26 2002 - 19:45:55 PDT)
Pascal Bonnet
- Re: Using the new2oldparm command (Fri Aug 02 2002 - 01:17:54 PDT)
Peter Gannett
- Re: Scaling of Sander on Linux Clusters (fwd) (Mon Aug 26 2002 - 17:56:06 PDT)
- RE: force field name (Thu Aug 15 2002 - 16:03:52 PDT)
Peter Varnai
- sander7 on IBM 7040-681 under AIX 5.1 (Fri Aug 30 2002 - 06:01:07 PDT)
- reorder water with nmropt (Fri Aug 02 2002 - 05:24:59 PDT)
postmaster_at_96com.com
- MDaemon Warning - Virus Found (Fri Aug 30 2002 - 03:59:25 PDT)
- MDaemon Warning - Virus Found (Fri Aug 30 2002 - 03:08:15 PDT)
- MDaemon Warning - Virus Found (Thu Aug 29 2002 - 10:02:23 PDT)
- MDaemon Warning - Virus Found (Thu Aug 29 2002 - 05:20:52 PDT)
- MDaemon Warning - Virus Found (Thu Aug 29 2002 - 03:14:06 PDT)
Prabal Maiti
- GB in amber6 (Thu Aug 15 2002 - 17:26:22 PDT)
Pratul Agarwal
- Re: sorry!!!!maybe another stupid question (Wed Aug 28 2002 - 18:45:28 PDT)
- Re: Scaling of Sander on Linux Clusters (fwd) (Mon Aug 26 2002 - 17:32:24 PDT)
- Torsion restraint between center of mass groups (Mon Aug 26 2002 - 14:51:33 PDT)
- Etot drops after restarting MD in sander (Fri Aug 16 2002 - 11:18:58 PDT)
- Re: trajectory file limit??? (Thu Aug 15 2002 - 14:12:35 PDT)
- Re: PMF with sander module (Wed Aug 14 2002 - 20:49:34 PDT)
- Constant pressure MD problems (sander) (Mon Aug 12 2002 - 07:45:15 PDT)
- Re: Leap error: PDB file with more than 10000 residues (Tue Aug 06 2002 - 14:47:00 PDT)
- Leap error: PDB file with more than 10000 residues (Tue Aug 06 2002 - 12:50:04 PDT)
priestle
- RE: What's this "interface" the tutorial talks about? (Wed Aug 28 2002 - 12:02:52 PDT)
Qing Zhang
- Re: PROTON_INFO (Sat Aug 03 2002 - 18:12:24 PDT)
ramon kleber da rocha
- problems runing gibbs on a IBM SP2 machine (Fri Aug 09 2002 - 07:48:11 PDT)
Randy M. Wadkins
- igb=2 in amber7 (Fri Aug 02 2002 - 15:28:48 PDT)
Rosalia Pascual
- SHAKE problem (Wed Aug 07 2002 - 08:13:12 PDT)
Ross Walker
- RE: trajectory file limit??? (Thu Aug 15 2002 - 14:48:30 PDT)
- RE: Amber+Mosix (Sun Aug 11 2002 - 14:33:04 PDT)
- RE: Amber/Gentoo linux (Sun Aug 11 2002 - 14:32:37 PDT)
Rukman Hertadi
- Re: Error decoding variable (Wed Jul 31 2002 - 18:50:27 PDT)
Sanjeev B.S.
- ES40 hangs amber7 jobs. (Thu Aug 29 2002 - 20:09:13 PDT)
- Re: Scaling of Sander on Linux Clusters (fwd) (Tue Aug 27 2002 - 10:59:51 PDT)
- amber7: ES40s (Tue Aug 27 2002 - 06:08:49 PDT)
- Re: Scaling of Sander on Linux Clusters (fwd) (Tue Aug 27 2002 - 01:56:15 PDT)
- Running amber7 on Param10000 (Wed Aug 14 2002 - 08:38:34 PDT)
- Re: Compiling Amber7 for a multiprocessor SUN Ultra-Sparc system. (Wed Aug 07 2002 - 21:46:08 PDT)
- Re: "number of processors must be a power of two" (Tue Aug 06 2002 - 09:17:35 PDT)
- Benchmarks (Fri Aug 02 2002 - 22:48:09 PDT)
Sankha Subhra Som
- question (Mon Aug 26 2002 - 23:24:32 PDT)
- Im lost (Mon Aug 19 2002 - 22:16:00 PDT)
sara nunez
- gibbs (Wed Aug 28 2002 - 12:52:56 PDT)
Sarah Tschampel
- restraints in parm in amber7 (Tue Aug 27 2002 - 14:57:33 PDT)
- Extra points (Thu Aug 15 2002 - 13:25:45 PDT)
Sarangan Ravichandran
- GBSA with IGB=2, setting the PBradii bondi (Fri Aug 30 2002 - 14:55:28 PDT)
sepideh ameli
- (no subject) (Sun Aug 04 2002 - 12:01:20 PDT)
Shixiang Yan
- Re: problem with amber7 mpi (Thu Aug 01 2002 - 06:29:58 PDT)
Soonmin Jang
- PC (principal component) analysis (Tue Aug 20 2002 - 01:02:24 PDT)
- Import of CHARMM force field and GB potential parameters into Amber7 (Sun Aug 04 2002 - 19:19:20 PDT)
- Generalized Born and OPLS potential (Sat Aug 03 2002 - 01:05:27 PDT)
Sophia Kondratova
- image command (Thu Aug 29 2002 - 10:46:01 PDT)
- iwrap and image (Wed Aug 28 2002 - 05:55:36 PDT)
- ewald bomb in md equilibration (Mon Aug 26 2002 - 15:54:37 PDT)
- am1-bcc charges (Tue Aug 06 2002 - 11:26:22 PDT)
Stefan Andreev Andreev
- mpi version of sander in Amber 6.0 with constraints (Wed Aug 14 2002 - 15:13:26 PDT)
- Nanotubes with AMBER (Sun Aug 11 2002 - 16:59:26 PDT)
St�phane Teletch�a
- Re: Scaling of Sander on Linux Clusters (fwd) (Tue Aug 27 2002 - 02:31:16 PDT)
- Re: Scaling of Sander on Linux Clusters (fwd) (Tue Aug 27 2002 - 01:41:06 PDT)
Thomas Cheatham
- Re: Potential Energy and RMS-Deviation Issues (Thu Aug 01 2002 - 09:08:09 PDT)
Vlad Cojocaru
- ewald bomb (Fri Aug 30 2002 - 06:38:49 PDT)
- sorry!!!!maybe another stupid question (Wed Aug 28 2002 - 15:48:03 PDT)
- a missing variable (Wed Aug 28 2002 - 13:43:04 PDT)
- difference 94 99 force field (Tue Aug 27 2002 - 06:34:11 PDT)
- segmentation fault (Tue Aug 20 2002 - 14:21:30 PDT)
- trajectory file limit??? (Thu Aug 15 2002 - 09:43:54 PDT)
- a question about carnal (Wed Aug 14 2002 - 09:39:36 PDT)
- Carnal stream problem (Wed Aug 14 2002 - 07:45:04 PDT)
William Wei
- Can we get trajectories coordinates after FIT in Carnal? (Wed Aug 14 2002 - 14:52:34 PDT)
- Memory and swap in sander (Mon Aug 12 2002 - 08:11:35 PDT)
Xiang Mao
- pbc in amber (Thu Aug 29 2002 - 06:00:04 PDT)
- problem in MD (Tue Aug 27 2002 - 17:05:11 PDT)
Yong Duan
- RE: force field name (Thu Aug 15 2002 - 09:11:19 PDT)
yuann
- add DUMMY atom into coordinate file (Fri Aug 16 2002 - 02:12:04 PDT)
zhongh_at_umich.edu
- nmode segmentation fault (Thu Aug 08 2002 - 06:56:08 PDT)

Amber Archive Aug 2002 by author