AMBER Archive (2002) - Aug 2002 By Date

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Starting: Thu Aug 01 2002 - 05:50:32 CDT
Ending: Sat Aug 31 2002 - 12:58:35 CDT

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

Last message date: Tue Dec 31 2002 - 15:51:31 CST
Archived on: Thu May 05 2005 - 14:17:26 CDT

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