Amber Archive Mar 2001: by subject

(no subject)
- Bill Ross (Thu Mar 22 2001 - 09:44:16 PST)
- txyang (Thu Mar 22 2001 - 04:54:18 PST)
- Yongxing Liu (Mon Mar 19 2001 - 10:58:49 PST)
- David Konerding (Fri Mar 16 2001 - 09:28:06 PST)
- chomsri upkaew (Fri Mar 16 2001 - 01:36:38 PST)
- Jarrod Smith (Thu Mar 08 2001 - 11:59:36 PST)
- Anwer Mujeeb (Thu Mar 08 2001 - 10:30:17 PST)
- Jarrod Smith (Thu Mar 08 2001 - 07:45:51 PST)
- monica jain (Thu Mar 08 2001 - 00:50:03 PST)
- Yongxing Liu (Tue Mar 06 2001 - 09:42:54 PST)
[charmm-bbs] Post-doctoral Position
- Ronald Kuehne (Wed Mar 28 2001 - 16:51:26 PST)
[charmm-bbs] Post-doctoral position available
- Heather A.Carlson (Wed Mar 28 2001 - 14:51:37 PST)
- Chris Chipot (Sat Mar 17 2001 - 10:21:59 PST)
about prep input
- Zhangxd (Thu Mar 01 2001 - 05:40:23 PST)
About the input of GIbbs and parm98 and Monte Carlo
- B $BM4 (Fri Mar 09 2001 - 06:33:17 PST)
About the input of GIbbs and parm98 and Monte Carlo (Sorry for my mistake)
- B $BM4 (Fri Mar 09 2001 - 06:54:03 PST)
Again Gibbs...
- yu kaneko (Sat Mar 10 2001 - 00:12:10 PST)
AMBER
- Pascal Bonnet (Thu Mar 01 2001 - 12:09:00 PST)
- jim caldwell (Thu Mar 01 2001 - 08:42:03 PST)
Amber 6.0 Benchmarks
- Tru Huynh (Thu Mar 22 2001 - 05:26:10 PST)
- Florian Barth (Thu Mar 22 2001 - 02:54:18 PST)
Amber Website - UK Mirror
- Ross Walker (Tue Mar 06 2001 - 02:47:28 PST)
amber6 compilation failure (fwd)
- Bill Ross (Tue Mar 20 2001 - 13:40:51 PST)
- David Skinner (Tue Mar 20 2001 - 13:09:49 PST)
- Jamal G. Musaev (Tue Mar 20 2001 - 12:29:55 PST)
AMBER6 on IBMSP3
- Sanjeev B.S. (Fri Mar 16 2001 - 10:03:22 PST)
- David Skinner (Tue Mar 13 2001 - 08:18:19 PST)
- Sanjeev B.S. (Tue Mar 13 2001 - 03:59:55 PST)
AMBER6 on IBMSP3 Installation
- Sanjeev B.S. (Tue Mar 20 2001 - 11:53:07 PST)
- Thomas Cheatham (Tue Mar 20 2001 - 10:45:40 PST)
- Sanjeev B.S. (Tue Mar 20 2001 - 06:07:05 PST)
- Thomas A. Spraggins (Tue Mar 20 2001 - 05:09:27 PST)
anal ouput
- Francois Dupradeau (Mon Mar 05 2001 - 00:40:14 PST)
ATP+Mg, P-tyrosine a P-threonine
- Michal Otyepka (Wed Mar 14 2001 - 02:35:53 PST)
Average structure
- Yongxing Liu (Thu Mar 29 2001 - 11:51:05 PST)
- Carlos Simmerling (Thu Mar 29 2001 - 09:55:55 PST)
- David Konerding (Thu Mar 29 2001 - 08:27:08 PST)
- Laurent Chiche (Thu Mar 29 2001 - 08:01:32 PST)
- Guanglei Cui (Thu Mar 29 2001 - 07:42:38 PST)
- Khatcharin Siriwong (Thu Mar 29 2001 - 07:07:11 PST)
Ca2+ parameters and how ? ...
- A. Ababou (Sat Mar 31 2001 - 07:07:39 PST)
calc free energy during dynamics
- Eoin Galligan (Thu Mar 08 2001 - 03:23:10 PST)
- samantha hughes (Thu Mar 08 2001 - 02:48:20 PST)
Can't compile Sander with parallel on Linux cluster
- David Konerding (Fri Mar 16 2001 - 09:54:10 PST)
- Thomas A. Spraggins (Fri Mar 16 2001 - 09:37:24 PST)
- Ross Walker (Fri Mar 16 2001 - 07:05:49 PST)
Can't compile sander witk parallel on Linux cluster
- Ross Walker (Fri Mar 16 2001 - 04:54:07 PST)
- Tru Huynh (Fri Mar 16 2001 - 04:14:14 PST)
- chomsri upkaew (Fri Mar 16 2001 - 03:54:27 PST)
carnal problem
- Bill Ross (Fri Mar 16 2001 - 14:09:56 PST)
- Joseph Nachman (Fri Mar 16 2001 - 11:58:45 PST)
Combining trajectories
- Bill Ross (Wed Mar 28 2001 - 09:35:54 PST)
- David Konerding (Wed Mar 28 2001 - 08:10:30 PST)
- Peter Varnai (Wed Mar 28 2001 - 00:56:58 PST)
- Bill Ross (Tue Mar 27 2001 - 08:53:58 PST)
- Troy Bothwell (Tue Mar 27 2001 - 08:45:54 PST)
Compilation of LEaP on SP3
- Sanjeev B.S. (Wed Mar 28 2001 - 00:02:02 PST)
compilation problems
- Chuck Schneider (Mon Mar 05 2001 - 05:20:18 PST)
- Christian Pilger (Sun Mar 04 2001 - 07:03:34 PST)
Correction: SP3 name list
- Michael Crowley (Thu Mar 22 2001 - 09:49:43 PST)
- Michael Crowley (Thu Mar 22 2001 - 09:46:21 PST)
- Sanjeev B.S. (Wed Mar 21 2001 - 22:47:53 PST)
curves
- Wing Lok Abe Kurtz (Sun Mar 04 2001 - 16:46:54 PST)
- Troy Bothwell (Sun Mar 04 2001 - 15:27:05 PST)
DNA out of a box
- Michael Cooney (Wed Mar 21 2001 - 09:43:18 PST)
- Xiaolin Chuang (Sat Mar 17 2001 - 05:08:56 PST)
Dummy Atoms
- Matthew Davies (Thu Mar 01 2001 - 05:58:14 PST)
error in sander
- rathinavelan thenmalarchelvi (Wed Mar 21 2001 - 04:12:23 PST)
force fields
- Mihaly Mezei (Wed Mar 07 2001 - 11:44:26 PST)
Generating C-DNA using nucgen!
- A.Madhumalar (Sun Mar 11 2001 - 00:31:16 PST)
GIBBS
- Andrea Bernini (Thu Mar 01 2001 - 03:20:07 PST)
GIBBS error
- Bill Ross (Wed Mar 21 2001 - 16:07:56 PST)
- kiyean.nam_at_pharma.Novartis.com (Wed Mar 21 2001 - 14:02:35 PST)
GIBSS pertType
- yu kaneko (Thu Mar 22 2001 - 04:58:28 PST)
helix analyse
- Yuguang Mu (Fri Mar 30 2001 - 09:20:21 PST)
How tleap does not add missing H atoms?
- Bill Ross (Mon Mar 26 2001 - 12:10:08 PST)
- Jarrod Smith (Mon Mar 26 2001 - 10:47:50 PST)
- Bill Ross (Mon Mar 26 2001 - 09:54:34 PST)
- Xiaolin Chuang (Mon Mar 26 2001 - 08:07:19 PST)
How to calculate energy from mdcrd output file
- Khatcharin Siriwong (Wed Mar 14 2001 - 06:23:47 PST)
how to get dials_and_windows
- thenmalar rathinavelan (Fri Mar 30 2001 - 00:23:41 PST)
How to remove CIO from prmtop & crd
- Jithesh P.V (Thu Mar 29 2001 - 01:21:25 PST)
imaging in amber6
- David Case (Fri Mar 02 2001 - 09:05:39 PST)
- Riccardo Nifosi (Fri Mar 02 2001 - 07:52:15 PST)
Interface
- Svetlana Nolde (Mon Mar 05 2001 - 06:59:02 PST)
LEAP
- kiyean.nam_at_pharma.Novartis.com (Thu Mar 15 2001 - 15:01:43 PST)
LEaP adding an extra hydrogen to N-terminus
- Guanglei Cui (Thu Mar 29 2001 - 07:48:05 PST)
- Jake Isaacs (Thu Mar 29 2001 - 07:31:04 PST)
leap adding terminal phosphates
- Bill Ross (Mon Mar 05 2001 - 12:27:27 PST)
- Michael Cooney (Mon Mar 05 2001 - 10:20:00 PST)
LEaP compilation
- Sanjeev B.S. (Wed Mar 28 2001 - 22:00:27 PST)
lipid bilayer MD simulations
- Thomas Huber (Wed Mar 07 2001 - 10:19:12 PST)
- Xavier Deupi (Wed Mar 07 2001 - 06:01:15 PST)
- Anita Ilze Zvaigzne (Tue Mar 06 2001 - 16:45:45 PST)
- Thomas Huber (Tue Mar 06 2001 - 14:01:34 PST)
- Bill Ross (Tue Mar 06 2001 - 11:48:02 PST)
- Bill Ross (Tue Mar 06 2001 - 11:06:44 PST)
loading prmtop and inpcrd into leap
- Bill Ross (Wed Mar 28 2001 - 10:37:38 PST)
- Jake Isaacs (Wed Mar 28 2001 - 08:13:06 PST)
Machine_g77_lam-mpi
- Tru Huynh (Tue Mar 27 2001 - 01:39:53 PST)
- Andrew Petersen (Mon Mar 26 2001 - 13:33:27 PST)
makeDIST_RST
- Jithesh P.V (Wed Mar 07 2001 - 07:40:48 PST)
Membrane
- Yanni Wang (Fri Mar 30 2001 - 00:31:34 PST)
Minimization and NSNB
- Lillian Chong (Wed Mar 28 2001 - 10:59:15 PST)
Missing "ASH" parameters
- Jake Isaacs (Thu Mar 29 2001 - 10:09:01 PST)
MM-PBSA
- Eoin Galligan (Mon Mar 12 2001 - 07:34:20 PST)
nstlim in sander
- Michael Cooney (Tue Mar 27 2001 - 10:12:08 PST)
parallel load difference under linux (long)
- Tru Huynh (Fri Mar 23 2001 - 03:43:28 PST)
- Yong Duan (Thu Mar 22 2001 - 14:51:05 PST)
- Michael Crowley (Thu Mar 22 2001 - 13:31:08 PST)
- David Konerding (Thu Mar 22 2001 - 12:58:23 PST)
- Tru Huynh (Thu Mar 22 2001 - 12:01:47 PST)
parameter
- Zhangxd (Tue Mar 06 2001 - 14:20:35 PST)
parameters for NADH
- marin (Thu Mar 29 2001 - 13:28:25 PST)
parm warnings
- Bill Ross (Wed Mar 28 2001 - 11:58:17 PST)
- Troy Bothwell (Wed Mar 28 2001 - 10:48:50 PST)
Parm98 for amino acids?
- Sanjeev B.S. (Wed Feb 28 2001 - 22:09:16 PST)
PBC box problems
- Michael Ford (Tue Mar 20 2001 - 10:10:17 PST)
Pentium 4
- Heirich, Alan (Mon Mar 05 2001 - 12:47:08 PST)
- David Konerding (Mon Mar 05 2001 - 11:57:04 PST)
- Robert Matthew Fesinmeyer (Mon Mar 05 2001 - 11:01:26 PST)
Pentium IV compiler in MD
- Jose Ramon Blas (Thu Mar 01 2001 - 13:11:08 PST)
periodic box size
- Bill Ross (Mon Mar 26 2001 - 12:06:08 PST)
- Jake Isaacs (Mon Mar 26 2001 - 10:40:49 PST)
PME with octahedral box
- David Konerding (Tue Mar 20 2001 - 10:43:11 PST)
- Ann Hermone (Tue Mar 20 2001 - 10:01:05 PST)
- Ann Hermone (Mon Mar 19 2001 - 13:31:16 PST)
PMF input file
- Bill Ross (Tue Mar 27 2001 - 11:18:18 PST)
- c724128 (Tue Mar 27 2001 - 11:14:18 PST)
- c724128 (Tue Mar 27 2001 - 03:48:11 PST)
PMF-input file
- c724128 (Tue Mar 27 2001 - 03:40:03 PST)
Post-doctoral Position
- Ronald Kuehne (Wed Mar 28 2001 - 16:51:26 PST)
Post-doctoral position available
- Heather A.Carlson (Wed Mar 28 2001 - 14:51:37 PST)
- Chris Chipot (Sat Mar 17 2001 - 10:21:59 PST)
Principal component analysis
- Andreas Svrcek-Seiler (Fri Mar 09 2001 - 11:11:21 PST)
Problem of running sander on Linux cluster
- Thomas A. Spraggins (Mon Mar 19 2001 - 10:54:49 PST)
- Carlos Simmerling (Mon Mar 19 2001 - 09:03:02 PST)
- Thomas A. Spraggins (Mon Mar 19 2001 - 08:23:12 PST)
- David Konerding (Mon Mar 19 2001 - 08:22:31 PST)
- chomsri upkaew (Mon Mar 19 2001 - 07:24:59 PST)
problem with Leap
- xin hu (Fri Mar 30 2001 - 05:08:41 PST)
PROFEC
- Anna Ferrari (Fri Mar 02 2001 - 02:57:28 PST)
ptraj image for octahedral box
- Pascal Bonnet (Tue Mar 13 2001 - 17:28:47 PST)
- Peter Varnai (Tue Mar 13 2001 - 07:47:28 PST)
ptraj resolved; irest=1?
- Guanglei Cui (Thu Mar 15 2001 - 08:08:01 PST)
- Peter Varnai (Thu Mar 15 2001 - 07:29:54 PST)
Q about RESP
- Ramon Garduno (Mon Mar 05 2001 - 11:35:47 PST)
Question about installing AMBER
- Andreas Svrcek-Seiler (Wed Mar 21 2001 - 02:31:22 PST)
- jllo (Tue Mar 20 2001 - 19:46:40 PST)
Question about prep file
- Troy Bothwell (Fri Mar 23 2001 - 16:39:42 PST)
questions about Sander
- Giulio Rastelli (Wed Mar 07 2001 - 02:52:16 PST)
- txyang (Wed Mar 07 2001 - 00:46:02 PST)
- txyang (Wed Mar 07 2001 - 00:41:45 PST)
recommended vs. default values
- Jake Isaacs (Mon Mar 05 2001 - 13:22:43 PST)
Resp
- Elsa Sousa Henriques (Wed Mar 28 2001 - 17:25:53 PST)
- Yanni Wang (Wed Mar 28 2001 - 05:24:04 PST)
sander energy data
- Raik Gruenberg (Thu Mar 08 2001 - 09:24:28 PST)
sander VS sander_classic
- Jarrod Smith (Thu Mar 08 2001 - 11:03:59 PST)
- David Case (Thu Mar 08 2001 - 10:53:51 PST)
- Khatcharin Siriwong (Thu Mar 08 2001 - 10:18:44 PST)
Selection
- Bill Ross (Wed Mar 14 2001 - 14:11:32 PST)
SGI_MP (was "your mail")
- Nathalie Godbout (Fri Mar 23 2001 - 11:54:14 PST)
- Jarrod Smith (Fri Mar 23 2001 - 10:27:09 PST)
SHAKE
- Bill Ross (Thu Mar 08 2001 - 11:22:13 PST)
- Michael Cooney (Thu Mar 08 2001 - 09:39:51 PST)
- David Case (Thu Mar 08 2001 - 09:28:28 PST)
SP3 benchmark
- Sanjeev B.S. (Mon Mar 26 2001 - 02:44:26 PST)
SP3 MACHINE file
- Sanjeev B.S. (Sat Mar 24 2001 - 04:59:50 PST)
SP3 name list
- David Case (Thu Mar 22 2001 - 07:43:37 PST)
- Sanjeev B.S. (Wed Mar 21 2001 - 11:10:13 PST)
sugguestion!
- Michael Ford (Thu Mar 08 2001 - 10:26:36 PST)
summary: lipid bilayer MD simulations
- Xavier Deupi (Fri Mar 16 2001 - 04:01:46 PST)
Test Group - swarm.ca
- Mite51_at_hotmail.com (Mon Mar 19 2001 - 14:56:09 PST)
using "radial" in PTRAJ
- Pascal Bonnet (Fri Mar 09 2001 - 09:26:17 PST)
variable NTWXM in Sander
- Michael Cooney (Fri Mar 09 2001 - 14:54:23 PST)
Water Box ...
- A. Ababou (Fri Mar 09 2001 - 08:43:05 PST)
why the slowdown?
- Bill Ross (Wed Mar 14 2001 - 13:34:10 PST)
Xleap
- Ross Walker (Tue Mar 27 2001 - 02:12:09 PST)
- Jean-Fran�ois Gibrat (Tue Mar 27 2001 - 01:55:16 PST)
- Khatcharin Siriwong (Tue Mar 27 2001 - 01:42:34 PST)
- Jean-Fran�ois Gibrat (Tue Mar 27 2001 - 01:19:01 PST)
your mail
- Nathalie Godbout (Fri Mar 23 2001 - 09:27:19 PST)
- Jarrod Smith (Thu Mar 22 2001 - 14:38:16 PST)
- David Case (Thu Mar 22 2001 - 14:11:32 PST)

Amber Archive Mar 2001 by subject