Amber Archive Aug 2002: by subject

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

Amber Archive Aug 2002 by subject