 | |||||||||||||||
 |
 |
 |
|
 |
|
 |
|
 |
|
 |
|
 |
|
 |
 |
AMBER Archive (2001) - By Thread
Most recent messages1217 messages sorted by: [ author ] [ date ] [ subject ]
About this archive
Starting: Tue Jan 02 2001 - 02:41:34 CST
Ending: Sun Dec 30 2001 - 21:24:17 CST
- Analysis Raja Swaminathan (Tue Jan 02 2001 - 02:41:34 CST)
- references Mark Forster (Tue Jan 02 2001 - 08:39:38 CST)
- software Zhangxd (Thu Jan 04 2001 - 12:30:53 CST)
- nucgen Troy Bothwell (Mon Jan 08 2001 - 14:53:52 CST)
- DNA Simulation Troy Bothwell (Mon Jan 08 2001 - 15:20:16 CST)
- Call for Papers: Special issue of MATCH Steve Heller (Wed Jan 10 2001 - 09:03:51 CST)
- define the QM Zhangxd (Wed Jan 10 2001 - 14:35:57 CST)
- intprt option in Thermodynamics integration Marcela Madrid (Wed Jan 10 2001 - 19:51:22 CST)
- update to files Eoin Galligan (Thu Jan 11 2001 - 06:29:49 CST)
- Octahedral Box? Troy Bothwell (Fri Jan 12 2001 - 11:34:10 CST)
- Re: velocity-output Michael Cooney (Fri Jan 12 2001 - 18:34:33 CST)
- (no subject) Zhangxd (Mon Jan 15 2001 - 09:46:08 CST)
- Sander sara nuñez (Mon Jan 15 2001 - 09:55:29 CST)
- i need help! dwang (Mon Jan 15 2001 - 10:58:46 CST)
- Re: MD with 'Solvated Ions' Bill Ross (Mon Jan 15 2001 - 13:19:15 CST)
- Gibbs with Linux RH 7.0 GUILBAUD Philippe 153683 (Tue Jan 16 2001 - 08:12:46 CST)
- "Goodness" of Trajectory Troy Bothwell (Tue Jan 16 2001 - 15:28:03 CST)
- Constant Pressure vs. Constant Volume Troy Bothwell (Tue Jan 16 2001 - 15:28:04 CST)
- EWALD Zhangxd (Wed Jan 17 2001 - 13:13:44 CST)
- Post-doctoral position Chris Chipot (Wed Jan 17 2001 - 13:58:19 CST)
- solvate cap Eoin Galligan (Fri Jan 19 2001 - 08:33:37 CST)
- Measuring rigid-body rotation with AMBER samantha hughes (Fri Jan 19 2001 - 09:23:24 CST)
- Re: solvate cap Bill Ross (Fri Jan 19 2001 - 11:06:26 CST)
- Parmscan and iron parameters Erlend Moldrheim (Fri Jan 19 2001 - 11:13:38 CST)
- Ewald sum oppie1_at_excite.co.jp (Sat Jan 20 2001 - 08:30:20 CST)
- octahedral box in AMBER6 Peter Varnai (Mon Jan 22 2001 - 06:32:17 CST)
- Trouble compiling amber on an Indy, R4400, running IRIX 6.5.10 Margaret Doll (Mon Jan 22 2001 - 09:52:32 CST)
- Re: Trouble compiling amber on an Indy, R4400, running IRIX 6.5.10 Nathalie Godbout (Mon Jan 22 2001 - 15:31:45 CST)
- Re: Trouble compiling amber on an Indy, R4400, running IRIX 6.5.10 Gota Kawai (Tue Jan 23 2001 - 17:36:02 CST)
- Re: Trouble compiling amber on an Indy, R4400, running IRIX 6.5.10 Gota Kawai (Tue Jan 23 2001 - 21:30:29 CST)
- question Zhangxd (Mon Jan 22 2001 - 12:24:48 CST)
- Phosphorylated residues. Andrew Hoofnagle (Mon Jan 22 2001 - 14:33:16 CST)
- question about RESP calculation xin hu (Mon Jan 22 2001 - 16:45:37 CST)
- Freze solute molecules in AMBER Assoc.Prof.Dr.Kritsana Sagarik (Tue Jan 23 2001 - 06:58:34 CST)
- AMBER on alpha Alan Todd (Tue Jan 23 2001 - 07:34:23 CST)
- sader-classic Joseph Nachman (Tue Jan 23 2001 - 10:32:21 CST)
- pressure regulation Andrew Aird (Wed Jan 24 2001 - 12:51:37 CST)
- Incomplete coord file after crash Michael Cooney (Thu Jan 25 2001 - 13:09:47 CST)
- Re: Incomplete coord file after crash Bill Ross (Thu Jan 25 2001 - 14:47:26 CST)
- X-ray vs. MD Anton Guliaev (Thu Jan 25 2001 - 16:28:34 CST)
- [Amber]: Peptide torsions in Parm99.dat Warren DeLano (Thu Jan 25 2001 - 16:53:15 CST)
- MEP with GAMESS or GAUSSIAN Francois Dupradeau (Fri Jan 26 2001 - 06:16:55 CST)
- 2-Amino Purine Parameters Scott A. Showalter (Fri Jan 26 2001 - 09:43:29 CST)
- (no subject) Jose Ramon Blas (Fri Jan 26 2001 - 12:18:20 CST)
- Re: Serious Problem with parm99.dat jim caldwell (Fri Jan 26 2001 - 14:18:51 CST)
- Re: Measuring rigid-body rotation with AMBER Bill Ross (Fri Jan 26 2001 - 15:33:25 CST)
- Info Abdo MALAC (Mon Jan 29 2001 - 10:39:58 CST)
- GAMESS and RESP. Andrew Hoofnagle (Mon Jan 29 2001 - 16:51:56 CST)
- Cavity solvation Anton Guliaev (Mon Jan 29 2001 - 17:45:15 CST)
- ester Okimasa Okada (Mon Jan 29 2001 - 18:47:29 CST)
- Re: Cavity solvation Bill Ross (Mon Jan 29 2001 - 18:54:04 CST)
- Postdoctoral position Chris Chipot (Tue Jan 30 2001 - 13:48:16 CST)
- Gibbs/non-bonded pairs Scott Boesch (Tue Jan 30 2001 - 14:50:17 CST)
- (no subject) lkirnars_at_unmc.edu (Tue Jan 30 2001 - 15:25:54 CST)
- process problem Eoin Galligan (Wed Jan 31 2001 - 09:54:11 CST)
- Belly option in sander Florian Barth (Wed Jan 31 2001 - 12:17:51 CST)
- (no subject) Andrew Aird (Wed Jan 31 2001 - 13:46:10 CST)
- xleap silly thing Jose Ramon Blas (Wed Jan 31 2001 - 14:32:20 CST)
- Re: PME Michael Cooney (Wed Jan 31 2001 - 15:13:47 CST)
- SUMMARY for GAMESS/GAUSSIAN MEP Francois Dupradeau (Thu Feb 01 2001 - 01:37:36 CST)
- I'm upset ! Stephane (Thu Feb 01 2001 - 03:55:15 CST)
- NSCM in periodic simulations Peter Varnai (Thu Feb 01 2001 - 09:24:55 CST)
- sense of justice Nelson Teixeira Brito (Thu Feb 01 2001 - 11:53:36 CST)
- Nonbonded Pair List Troy Bothwell (Fri Feb 02 2001 - 13:18:16 CST)
- how do I turn on the verbose option? Marcela Madrid (Fri Feb 02 2001 - 14:01:46 CST)
- error msg Eoin Galligan (Mon Feb 05 2001 - 06:44:59 CST)
- error msg Eoin Galligan (Mon Feb 05 2001 - 06:44:59 CST)
- parm96 Giulio Rastelli (Tue Feb 06 2001 - 11:18:25 CST)
- ptraj Troy Bothwell (Tue Feb 06 2001 - 12:36:20 CST)
- AMBER parameter for HCOO(-) and NCHCHNHC Yinghong Sheng (Tue Feb 06 2001 - 17:18:00 CST)
- not using SHAKE Eoin Galligan (Wed Feb 07 2001 - 07:27:24 CST)
- Lone Pairs. Fred P. Arnold (Wed Feb 07 2001 - 16:19:32 CST)
- Bang for the Buck Robert Matthew Fesinmeyer (Fri Feb 09 2001 - 15:50:57 CST)
- Re: Bang for the Buck mite51 (Fri Feb 09 2001 - 16:33:44 CST)
- Re: Bang for the Buck David Konerding (Fri Feb 09 2001 - 16:54:13 CST)
- Re: Bang for the Buck David Pearlman (Fri Feb 09 2001 - 17:19:12 CST)
- Re: Bang for the Buck Bill Ross (Fri Feb 09 2001 - 17:51:42 CST)
- Re: Bang for the Buck Jarrod Smith (Fri Feb 09 2001 - 20:13:31 CST)
- Re: Bang for the Buck Carlos Simmerling (Fri Feb 09 2001 - 21:59:16 CST)
- Re: Bang for the Buck Margaret Cheung (Sun Feb 11 2001 - 01:20:46 CST)
- Regarding MD dynamic group (Sat Feb 10 2001 - 03:29:42 CST)
- (no subject) noor gaffoor (Sun Feb 11 2001 - 23:08:17 CST)
- Regarding the construction of gris in insightII dynamic group (Mon Feb 12 2001 - 03:43:19 CST)
- batch mode Fernanda Camarinha (Mon Feb 12 2001 - 11:29:07 CST)
- a few more questions Jake Isaacs (Mon Feb 12 2001 - 12:37:16 CST)
- Gibbs Ann Hermone (Mon Feb 12 2001 - 14:17:51 CST)
- Re: Ionic solutions Bill Ross (Mon Feb 12 2001 - 16:52:07 CST)
- One article Zhiyong Zhang (Tue Feb 13 2001 - 05:46:42 CST)
- DMSO ? Yuguang Mu (Tue Feb 13 2001 - 10:22:42 CST)
- generating parameters for a small molecule ligand Jake Isaacs (Tue Feb 13 2001 - 10:48:03 CST)
- Minor correction (I think) on RESP input Fred P. Arnold (Tue Feb 13 2001 - 11:23:22 CST)
- Belly Atonms Mark Markson (Tue Feb 13 2001 - 12:52:53 CST)
- dynamic memory allocation Bill Ross (Tue Feb 13 2001 - 13:30:28 CST)
- Dual Origin vs dual Alfa Anton Guliaev (Tue Feb 13 2001 - 18:06:37 CST)
- (no subject) robert (Tue Feb 13 2001 - 18:35:21 CST)
- Amber Parameters Antonio Entrena Guadix (Wed Feb 14 2001 - 05:04:54 CST)
- how to handle a metal ion Jake Isaacs (Wed Feb 14 2001 - 09:43:14 CST)
- Implicit solvent MD with small RNA's Andreas Svrcek-Seiler (Wed Feb 14 2001 - 10:52:56 CST)
- (no subject) Yinghong Sheng (Wed Feb 14 2001 - 11:45:43 CST)
- REMD Michal Otyepka (Wed Feb 14 2001 - 13:30:06 CST)
- disk file larger than 2 GB Yuguang Mu (Thu Feb 15 2001 - 01:12:47 CST)
- Compilation of AMBER6 A.Madhumalar (Thu Feb 15 2001 - 12:36:51 CST)
- Amber6 by g77 and mpich Miyashita, Osamu (Thu Feb 15 2001 - 14:54:10 CST)
- EWALD BOMB Mahadevan Seetharaman (Thu Feb 15 2001 - 16:45:44 CST)
- AMBER mail reflector archive Jarrod A. Smith (Thu Feb 15 2001 - 16:54:55 CST)
- RE: AMBER mail reflector archive Ross Walker (Thu Feb 15 2001 - 17:11:45 CST)
- RE: AMBER mail reflector archive Jianxin Guo (Thu Feb 15 2001 - 17:13:09 CST)
- RE: AMBER mail reflector archive Bill Ross (Thu Feb 15 2001 - 17:47:31 CST)
- Re: AMBER mail reflector archive Anita Ilze Zvaigzne (Thu Feb 15 2001 - 18:31:43 CST)
- ethidium bromide parms Peter Gannett (Thu Feb 15 2001 - 20:20:26 CST)
- update to 1GHz Athlon Tru Huynh (Fri Feb 16 2001 - 04:35:59 CST)
- lower_bound and upper_bound Yanni Wang (Fri Feb 16 2001 - 09:58:02 CST)
- periodic box size Raja Swaminathan (Fri Feb 16 2001 - 11:25:25 CST)
- MD integrator Garrett W Grahek (Fri Feb 16 2001 - 11:35:43 CST)
- Compilation of Amber6 in linux machine A.Madhumalar (Sun Feb 18 2001 - 02:08:48 CST)
- GB protein simulation Guanglei Cui (Mon Feb 19 2001 - 10:58:23 CST)
- Nucleic acid notation within Toolchest Rebecca Ann Perlow (Mon Feb 19 2001 - 15:59:59 CST)
- AMBER on SUN Craig Marhefka (Tue Feb 20 2001 - 08:43:33 CST)
- weights for DNA and ions Raja Swaminathan (Wed Feb 21 2001 - 03:24:22 CST)
- Roar Yanni Wang (Wed Feb 21 2001 - 03:34:47 CST)
- Re: belly run Bill Ross (Wed Feb 21 2001 - 12:37:03 CST)
- running Amber on dual processor machine HAllawi_at_TWT.com (Wed Feb 21 2001 - 13:24:07 CST)
- (no subject) Michal Otyepka (Wed Feb 21 2001 - 14:23:01 CST)
- Re: belly run cieplak_at_tiger.chem.uw.edu.pl (Thu Feb 22 2001 - 04:28:14 CST)
- modified aminoacids using Leap Giulio Rastelli (Thu Feb 22 2001 - 05:14:00 CST)
- Fe4S4 cluster Agnes Hahn (Thu Feb 22 2001 - 10:06:09 CST)
- Re: modified aminoacids using Leap Bill Ross (Thu Feb 22 2001 - 11:03:16 CST)
- shake comparison Xiaoliang Qian (Fri Feb 23 2001 - 11:13:07 CST)
- Can't run sander_classic with parallel machine Khatcharin Siriwong (Fri Feb 23 2001 - 11:31:16 CST)
- db4 with amber5.0 Daniel GENEST (Fri Feb 23 2001 - 11:44:56 CST)
- consult ZHANG RB (Sun Feb 25 2001 - 05:50:11 CST)
- consult ZHANG RB (Sun Feb 25 2001 - 05:50:47 CST)
- parm94.dat vs parm99.dat Andreas Svrcek-Seiler (Mon Feb 26 2001 - 02:24:00 CST)
- leap and SP2 nitrogen Mark Forster (Mon Feb 26 2001 - 06:07:27 CST)
- QM/MM in roar Yanni Wang (Mon Feb 26 2001 - 12:04:03 CST)
- params - ADP, neutral ARG Heather A.Carlson (Mon Feb 26 2001 - 12:58:17 CST)
- RE: Linux 6.2 install problems Ross Walker (Mon Feb 26 2001 - 15:39:02 CST)
- Re: Linux 6.2 install problems Bill Ross (Mon Feb 26 2001 - 16:01:24 CST)
- MD without SHAKE Dayle Smith (Mon Feb 26 2001 - 19:06:33 CST)
- Re: MD without SHAKE Bill Ross (Mon Feb 26 2001 - 19:51:25 CST)
- porphyrin parameters Kristin Maher (Tue Feb 27 2001 - 00:28:43 CST)
- Re: porphyrin parameters Bill Ross (Tue Feb 27 2001 - 02:50:34 CST)
- Gibbs input Kiyean Nam (Tue Feb 27 2001 - 22:24:44 CST)
- 8-Oxo-G Eva Darian (Wed Feb 28 2001 - 12:00:18 CST)
- Re: Sander parallel compilation David Case (Wed Feb 28 2001 - 12:27:40 CST)
- PBC box problems Michael Ford (Wed Feb 28 2001 - 16:34:36 CST)
- Re: PBC box problems Bill Ross (Wed Feb 28 2001 - 17:50:16 CST)
- Fluorescent dyes Troy Bothwell (Wed Feb 28 2001 - 22:01:47 CST)
- Parm98 for amino acids? Sanjeev B.S. (Thu Mar 01 2001 - 00:09:16 CST)
- GIBBS Andrea Bernini (Thu Mar 01 2001 - 05:20:07 CST)
- about prep input Zhangxd (Thu Mar 01 2001 - 07:40:23 CST)
- Dummy Atoms Matthew Davies (Thu Mar 01 2001 - 07:58:14 CST)
- Pentium IV compiler in MD Jose Ramon Blas (Thu Mar 01 2001 - 15:11:08 CST)
- PROFEC Anna Ferrari (Fri Mar 02 2001 - 04:57:28 CST)
- imaging in amber6 Riccardo Nifosi (Fri Mar 02 2001 - 09:52:15 CST)
- curves Troy Bothwell (Sun Mar 04 2001 - 17:27:05 CST)
- anal ouput Francois Dupradeau (Mon Mar 05 2001 - 02:40:14 CST)
- Interface Svetlana Nolde (Mon Mar 05 2001 - 08:59:02 CST)
- leap adding terminal phosphates Michael Cooney (Mon Mar 05 2001 - 12:20:00 CST)
- Pentium 4 Robert Matthew Fesinmeyer (Mon Mar 05 2001 - 13:01:26 CST)
- Q about RESP Ramon Garduno (Mon Mar 05 2001 - 13:35:47 CST)
- recommended vs. default values Jake Isaacs (Mon Mar 05 2001 - 15:22:43 CST)
- Amber Website - UK Mirror Ross Walker (Tue Mar 06 2001 - 04:47:28 CST)
- (no subject) Yongxing Liu (Tue Mar 06 2001 - 11:42:54 CST)
- Re: lipid bilayer MD simulations Bill Ross (Tue Mar 06 2001 - 13:06:44 CST)
- questions about Sander txyang (Wed Mar 07 2001 - 02:41:45 CST)
- questions about Sander txyang (Wed Mar 07 2001 - 02:46:02 CST)
- lipid bilayer MD simulations Xavier Deupi (Wed Mar 07 2001 - 08:01:15 CST)
- Emerging Technologies/COMP 2001 Boyd (Wed Mar 07 2001 - 08:58:54 CST)
- makeDIST_RST Jithesh P.V (Wed Mar 07 2001 - 09:40:48 CST)
- (No Subject) monica jain (Thu Mar 08 2001 - 02:50:03 CST)
- calc free energy during dynamics Eoin Galligan (Thu Mar 08 2001 - 05:23:10 CST)
- sander energy data Raik Gruenberg (Thu Mar 08 2001 - 11:24:28 CST)
- Re: SHAKE David Case (Thu Mar 08 2001 - 11:28:28 CST)
- sander VS sander_classic Khatcharin Siriwong (Thu Mar 08 2001 - 12:18:44 CST)
- Re: SHAKE Bill Ross (Thu Mar 08 2001 - 13:22:13 CST)
- About the input of GIbbs and parm98 and Monte Carlo B $BM4 (Fri Mar 09 2001 - 08:33:17 CST)
- About the input of GIbbs and parm98 and Monte Carlo (Sorry for my mistake) B $BM4 (Fri Mar 09 2001 - 08:54:03 CST)
- Water Box ... A. Ababou (Fri Mar 09 2001 - 10:43:05 CST)
- Re: using "radial" in PTRAJ Pascal Bonnet (Fri Mar 09 2001 - 11:26:17 CST)
- Principal component analysis Andreas Svrcek-Seiler (Fri Mar 09 2001 - 13:11:21 CST)
- variable NTWXM in Sander Michael Cooney (Fri Mar 09 2001 - 16:54:23 CST)
- Again Gibbs... yu kaneko (Sat Mar 10 2001 - 02:12:10 CST)
- Generating C-DNA using nucgen! A.Madhumalar (Sun Mar 11 2001 - 02:31:16 CST)
- MM-PBSA Eoin Galligan (Mon Mar 12 2001 - 09:34:20 CST)
- AMBER6 on IBMSP3 Sanjeev B.S. (Tue Mar 13 2001 - 05:59:55 CST)
- ptraj image for octahedral box Peter Varnai (Tue Mar 13 2001 - 09:47:28 CST)
- ATP+Mg, P-tyrosine a P-threonine Michal Otyepka (Wed Mar 14 2001 - 04:35:53 CST)
- How to calculate energy from mdcrd output file Khatcharin Siriwong (Wed Mar 14 2001 - 08:23:47 CST)
- Re: why the slowdown? Bill Ross (Wed Mar 14 2001 - 15:34:10 CST)
- Re: Selection Bill Ross (Wed Mar 14 2001 - 16:11:32 CST)
- ptraj resolved; irest=1? Peter Varnai (Thu Mar 15 2001 - 09:29:54 CST)
- LEAP kiyean.nam_at_pharma.Novartis.com (Thu Mar 15 2001 - 17:01:43 CST)
- (no subject) chomsri upkaew (Fri Mar 16 2001 - 03:36:38 CST)
- Can't compile sander witk parallel on Linux cluster chomsri upkaew (Fri Mar 16 2001 - 05:54:27 CST)
- summary: lipid bilayer MD simulations Xavier Deupi (Fri Mar 16 2001 - 06:01:46 CST)
- RE: Can't compile Sander with parallel on Linux cluster Ross Walker (Fri Mar 16 2001 - 09:05:49 CST)
- carnal problem Joseph Nachman (Fri Mar 16 2001 - 13:58:45 CST)
- Re: carnal problem Bill Ross (Fri Mar 16 2001 - 16:09:56 CST)
- DNA out of a box Xiaolin Chuang (Sat Mar 17 2001 - 07:08:56 CST)
- [charmm-bbs] Post-doctoral position available Chris Chipot (Sat Mar 17 2001 - 12:21:59 CST)
- Post-doctoral position available Chris Chipot (Sat Mar 17 2001 - 12:21:59 CST)
- Problem of running sander on Linux cluster chomsri upkaew (Mon Mar 19 2001 - 09:24:59 CST)
- (no subject) Yongxing Liu (Mon Mar 19 2001 - 12:58:49 CST)
- PME with octahedral box Ann Hermone (Mon Mar 19 2001 - 15:31:16 CST)
- PME with octahedral box Ann Hermone (Tue Mar 20 2001 - 12:01:05 CST)
- amber6 compilation failure (fwd) Jamal G. Musaev (Tue Mar 20 2001 - 14:29:55 CST)
- Re: amber6 compilation failure (fwd) Bill Ross (Tue Mar 20 2001 - 15:40:51 CST)
- Question about installing AMBER jllo (Tue Mar 20 2001 - 21:46:40 CST)
- error in sander rathinavelan thenmalarchelvi (Wed Mar 21 2001 - 06:12:23 CST)
- SP3 name list Sanjeev B.S. (Wed Mar 21 2001 - 13:10:13 CST)
- GIBBS error kiyean.nam_at_pharma.Novartis.com (Wed Mar 21 2001 - 16:02:35 CST)
- Re: GIBBS error Bill Ross (Wed Mar 21 2001 - 18:07:56 CST)
- Amber 6.0 Benchmarks Florian Barth (Thu Mar 22 2001 - 04:54:18 CST)
- (no subject) txyang (Thu Mar 22 2001 - 06:54:18 CST)
- GIBSS pertType yu kaneko (Thu Mar 22 2001 - 06:58:28 CST)
- (no subject) Bill Ross (Thu Mar 22 2001 - 11:44:16 CST)
- Re: Correction: SP3 name list Michael Crowley (Thu Mar 22 2001 - 11:46:21 CST)
- parallel load difference under linux (long) Tru Huynh (Thu Mar 22 2001 - 14:01:47 CST)
- Question about prep file Troy Bothwell (Fri Mar 23 2001 - 18:39:42 CST)
- SP3 MACHINE file Sanjeev B.S. (Sat Mar 24 2001 - 06:59:50 CST)
- SP3 benchmark Sanjeev B.S. (Mon Mar 26 2001 - 04:44:26 CST)
- How tleap does not add missing H atoms? Xiaolin Chuang (Mon Mar 26 2001 - 10:07:19 CST)
- Re: How tleap does not add missing H atoms? Bill Ross (Mon Mar 26 2001 - 11:54:34 CST)
- periodic box size Jake Isaacs (Mon Mar 26 2001 - 12:40:49 CST)
- Re: periodic box size Bill Ross (Mon Mar 26 2001 - 14:06:08 CST)
- Machine_g77_lam-mpi Andrew Petersen (Mon Mar 26 2001 - 15:33:27 CST)
- Xleap Jean-François Gibrat (Tue Mar 27 2001 - 03:19:01 CST)
- PMF-input file c724128 (Tue Mar 27 2001 - 05:40:03 CST)
- PMF input file c724128 (Tue Mar 27 2001 - 05:48:11 CST)
- Combining trajectories Troy Bothwell (Tue Mar 27 2001 - 10:45:54 CST)
- Re: Combining trajectories Bill Ross (Tue Mar 27 2001 - 10:53:58 CST)
- nstlim in sander Michael Cooney (Tue Mar 27 2001 - 12:12:08 CST)
- PMF input file c724128 (Tue Mar 27 2001 - 13:14:18 CST)
- Re: PMF input file Bill Ross (Tue Mar 27 2001 - 13:18:18 CST)
- Compilation of LEaP on SP3 Sanjeev B.S. (Wed Mar 28 2001 - 02:02:02 CST)
- Resp Yanni Wang (Wed Mar 28 2001 - 07:24:04 CST)
- loading prmtop and inpcrd into leap Jake Isaacs (Wed Mar 28 2001 - 10:13:06 CST)
- Re: loading prmtop and inpcrd into leap Bill Ross (Wed Mar 28 2001 - 12:37:38 CST)
- parm warnings Troy Bothwell (Wed Mar 28 2001 - 12:48:50 CST)
- Minimization and NSNB Lillian Chong (Wed Mar 28 2001 - 12:59:15 CST)
- Re: parm warnings Bill Ross (Wed Mar 28 2001 - 13:58:17 CST)
- [charmm-bbs] Post-doctoral position available Heather A.Carlson (Wed Mar 28 2001 - 16:51:37 CST)
- Post-doctoral position available Heather A.Carlson (Wed Mar 28 2001 - 16:51:37 CST)
- [charmm-bbs] Post-doctoral Position Ronald Kuehne (Wed Mar 28 2001 - 18:51:26 CST)
- Post-doctoral Position Ronald Kuehne (Wed Mar 28 2001 - 18:51:26 CST)
- LEaP compilation Sanjeev B.S. (Thu Mar 29 2001 - 00:00:27 CST)
- How to remove CIO from prmtop & crd Jithesh P.V (Thu Mar 29 2001 - 03:21:25 CST)
- Average structure Khatcharin Siriwong (Thu Mar 29 2001 - 09:07:11 CST)
- Re: LEaP adding an extra hydrogen to N-terminus Jake Isaacs (Thu Mar 29 2001 - 09:31:04 CST)
- RE: LEaP adding an extra hydrogen to N-terminus Guanglei Cui (Thu Mar 29 2001 - 09:48:05 CST)
- Missing "ASH" parameters Jake Isaacs (Thu Mar 29 2001 - 12:09:01 CST)
- parameters for NADH marin (Thu Mar 29 2001 - 15:28:25 CST)
- how to get dials_and_windows thenmalar rathinavelan (Fri Mar 30 2001 - 02:23:41 CST)
- Membrane Yanni Wang (Fri Mar 30 2001 - 02:31:34 CST)
- problem with Leap xin hu (Fri Mar 30 2001 - 05:08:41 CST)
- helix analyse Yuguang Mu (Fri Mar 30 2001 - 11:20:21 CST)
- Ca2+ parameters and how ? ... A. Ababou (Sat Mar 31 2001 - 09:07:39 CST)
- about OWFEG nicolas baurin (Mon Apr 02 2001 - 04:36:11 CDT)
- about dials_and_windows thenmalar rathinavelan (Mon Apr 02 2001 - 07:13:41 CDT)
- about dials_and_windows thenmalar rathinavelan (Mon Apr 02 2001 - 07:13:41 CDT)
- terminal base pair opening Peter Varnai (Mon Apr 02 2001 - 07:19:54 CDT)
- pressure with polarizable potentials Pavel Jungwirth (Mon Apr 02 2001 - 07:21:26 CDT)
- FW: about Owfeg in Amber 6.0 Craig Marhefka (Mon Apr 02 2001 - 08:19:18 CDT)
- terminal base pair opening 2 Peter Varnai (Mon Apr 02 2001 - 08:46:06 CDT)
- setting random velocities Svetlana Nolde (Mon Apr 02 2001 - 11:17:01 CDT)
- (no subject) Bill Ross (Mon Apr 02 2001 - 11:51:45 CDT)
- Ca2+ parameters and how ? ... A. Ababou (Mon Apr 02 2001 - 14:46:27 CDT)
- saving a trajectory as individual pdb files Jake Isaacs (Mon Apr 02 2001 - 16:42:38 CDT)
- Re: saving a trajectory as individual pdb files Bill Ross (Mon Apr 02 2001 - 17:29:07 CDT)
- Re: Ca2+ parameters and how ? ... Bill Ross (Mon Apr 02 2001 - 17:54:54 CDT)
- producing a post-ptraj prmtop R. M. Fesinmeyer (Tue Apr 03 2001 - 19:20:41 CDT)
- Pairlist error Troy Bothwell (Tue Apr 03 2001 - 22:20:35 CDT)
- Re: Pairlist error Bill Ross (Tue Apr 03 2001 - 23:23:29 CDT)
- OCCO in parm99 Peter Varnai (Wed Apr 04 2001 - 03:52:32 CDT)
- creating a restrt file from frames of mdcrd and mdvel Jake Isaacs (Wed Apr 04 2001 - 09:31:35 CDT)
- sander_classic: bellyrun with constraints nicolas baurin (Wed Apr 04 2001 - 13:13:21 CDT)
- Following Coordinates Troy Bothwell (Wed Apr 04 2001 - 18:23:16 CDT)
- Box info after minimization Troy Bothwell (Wed Apr 04 2001 - 22:38:58 CDT)
- Blowup problem txyang (Thu Apr 05 2001 - 02:12:45 CDT)
- structure verification Christian Pilger (Thu Apr 05 2001 - 08:22:29 CDT)
- RDF figure txyang (Fri Apr 06 2001 - 02:19:20 CDT)
- AMBER6/PME on Origin 2000 Didier Rognan (Fri Apr 06 2001 - 06:43:43 CDT)
- AMBER 6 on PME Didier Rognan (Fri Apr 06 2001 - 11:41:19 CDT)
- Re: opinions on supercomputer platforms Nathalie Godbout (Fri Apr 06 2001 - 14:57:37 CDT)
- ask help Yang Tom (Sun Apr 08 2001 - 02:40:01 CDT)
- GB and Ions Andreas Svrcek-Seiler (Mon Apr 09 2001 - 05:21:06 CDT)
- sander compilers Andrew Petersen (Mon Apr 09 2001 - 09:21:55 CDT)
- electrostatic point charge Olga Carvalho (Mon Apr 09 2001 - 09:45:19 CDT)
- internal variables in ptraj Therese Malliavin (Tue Apr 10 2001 - 03:29:44 CDT)
- TIP3P/SPC VdW radius artem (Tue Apr 10 2001 - 11:00:18 CDT)
- minimization Andrew Aird (Tue Apr 10 2001 - 11:05:27 CDT)
- Delphi Calculations Guanglei Cui (Tue Apr 10 2001 - 14:15:01 CDT)
- water density and rdf calculations thenmalar rathinavelan (Wed Apr 11 2001 - 05:02:59 CDT)
- N-terminal and C-terminal hydrogens Troy Bothwell (Thu Apr 12 2001 - 13:10:16 CDT)
- AMBER vdW Ryan H. Lilien (Fri Apr 13 2001 - 08:41:59 CDT)
- odd display of ambpdb generated files Jake Isaacs (Fri Apr 13 2001 - 15:20:39 CDT)
- RE: odd display of ambpdb generated files Troy Bothwell (Fri Apr 13 2001 - 19:02:26 CDT)
- Re: odd display of ambpdb generated files Elsa Sousa Henriques (Mon Apr 16 2001 - 12:49:03 CDT)
- Re: odd display of ambpdb generated files Richard W Dixon (Tue Apr 17 2001 - 08:26:45 CDT)
- Re: odd display of ambpdb generated files Bill Ross (Tue Apr 17 2001 - 10:42:26 CDT)
- Re: odd display of ambpdb generated files Bill Ross (Tue Apr 17 2001 - 13:20:18 CDT)
- Re: odd display of ambpdb generated files Bill Ross (Tue Apr 17 2001 - 14:22:19 CDT)
- Re: odd display of ambpdb generated files Bill Ross (Fri Apr 13 2001 - 17:12:45 CDT)
- isotropic scaling of coordinates during MD Giulio Rastelli (Sat Apr 14 2001 - 06:35:48 CDT)
- Compilation problem of AMBER6.0! Ireena Bagai (Mon Apr 16 2001 - 07:24:25 CDT)
- Windows version of AMBER? Stan (Tue Apr 17 2001 - 01:59:44 CDT)
- atom types for xleap Marcela Madrid (Tue Apr 17 2001 - 11:08:59 CDT)
- Re: atom types for xleap Bill Ross (Tue Apr 17 2001 - 13:23:37 CDT)
- 1-4 nonbonded interactions David L. Bostick (Wed Apr 18 2001 - 13:37:12 CDT)
- ISTAR2 and 64-bit sander Jarrod Smith (Wed Apr 18 2001 - 14:20:05 CDT)
- Re: 1-4 nonbonded interactions Bill Ross (Wed Apr 18 2001 - 14:58:59 CDT)
- Problem in adding solvent other than water ... Mausumi Mazumdar (Wed Apr 18 2001 - 23:56:42 CDT)
- Amber 6 on parallel SUN Christian Pilger (Thu Apr 19 2001 - 04:47:02 CDT)
- Test run for gb_rna on AMBER6 (IBM SP3) Sanjeev B.S. (Thu Apr 19 2001 - 14:54:57 CDT)
- Where to Start working in AMBER from? Ireena Bagai (Fri Apr 20 2001 - 08:07:23 CDT)
- tleap but no xleap on IBM SP3 Sanjeev B.S. (Fri Apr 20 2001 - 09:44:04 CDT)
- ptraj correlation command Troy Bothwell (Sat Apr 21 2001 - 09:23:40 CDT)
- test run Sanjeev B.S. (Sat Apr 21 2001 - 16:24:25 CDT)
- amber-request@cgl.ucsf.edu k. vengadesan (Sat Apr 21 2001 - 21:57:24 CDT)
- Model(l)ing 2001 in Erlangen/Germany: Speaker list Harald Lanig (Mon Apr 23 2001 - 07:59:29 CDT)
- problem with carnal on linux Riccardo Nifosi (Mon Apr 23 2001 - 10:03:40 CDT)
- Problem, setting up AMBERHOME! Ireena Bagai (Tue Apr 24 2001 - 05:42:04 CDT)
- How to let IBELLY and NTR both on? Hai Long (Tue Apr 24 2001 - 11:10:49 CDT)
- create a parm.top file Pascal Bonnet (Tue Apr 24 2001 - 12:18:51 CDT)
- Request. hparikh (Tue Apr 24 2001 - 16:12:52 CDT)
- sander on SP3 Sanjeev B.S. (Tue Apr 24 2001 - 16:59:16 CDT)
- Sander minimization kian kani (Tue Apr 24 2001 - 20:50:44 CDT)
- special belly minimization Didier Rognan (Wed Apr 25 2001 - 05:40:51 CDT)
- AMBER on LINUX Osvaldo Andrade Santos Filho (Wed Apr 25 2001 - 14:30:05 CDT)
- Essential dynamics David Bevan (Thu Apr 26 2001 - 06:18:25 CDT)
- Re: applying atom types Bill Ross (Fri Apr 27 2001 - 12:24:19 CDT)
- about plevel in sander 6 Shixiang Yan (Fri Apr 27 2001 - 17:32:48 CDT)
- AMBER6 on Alphas40 Sanjeev B.S. (Sat Apr 28 2001 - 03:06:22 CDT)
- Re: AMBER6 on Alphas40 (fwd) Sanjeev B.S. (Mon Apr 30 2001 - 02:31:14 CDT)
- sander crash / linux cluster C. Klein (Mon Apr 30 2001 - 10:06:58 CDT)
- AMBER parameters Andreas Svrcek-Seiler (Tue May 01 2001 - 08:58:13 CDT)
- Wallclock on Intel/Linux sander Jarrod Smith (Tue May 01 2001 - 14:48:36 CDT)
- ANAL (Amber6.0) Aldo Jongejan (Wed May 02 2001 - 08:01:31 CDT)
- Important Address change jim caldwell (Wed May 02 2001 - 13:42:04 CDT)
- Why does water leak!? Sanjeev B.S. (Thu May 03 2001 - 04:07:51 CDT)
- sander6/Linux compiled with pgf77 + mpipro Jarrod Smith (Thu May 03 2001 - 10:11:16 CDT)
- Re: addions in leap Bill Ross (Fri May 04 2001 - 09:23:44 CDT)
- Ewalb bomb on SP3 Sanjeev B.S. (Sat May 05 2001 - 14:38:23 CDT)
- peek_ewald_inpcrd Andrew Aird (Mon May 07 2001 - 11:48:59 CDT)
- parameters Adrian E. Roitberg (Mon May 07 2001 - 13:00:55 CDT)
- sander_classic: bond energy problem Miyashita, Osamu (Mon May 07 2001 - 16:28:03 CDT)
- parameters forms Yuguang Mu (Tue May 08 2001 - 03:13:32 CDT)
- Re: topology description Andreas Svrcek-Seiler (Tue May 08 2001 - 10:18:12 CDT)
- escaping atoms.... Amesh Patel (Wed May 09 2001 - 09:36:30 CDT)
- Resp liz (Wed May 09 2001 - 14:14:32 CDT)
- Re: escaping atoms.... Bill Ross (Wed May 09 2001 - 17:34:27 CDT)
- Diffusion constant Yanni Wang (Thu May 10 2001 - 04:14:34 CDT)
- Minimization inputs in AMBER6!! A.Madhumalar (Thu May 10 2001 - 12:09:27 CDT)
- sorry for the virus. Guo, Jianxin (Thu May 10 2001 - 13:52:55 CDT)
- ptraj Vector command Troy Bothwell (Thu May 10 2001 - 17:36:04 CDT)
- tree names in group spec. Artem Mamonov (Thu May 10 2001 - 18:49:02 CDT)
- Re: tree names in group spec. Bill Ross (Thu May 10 2001 - 20:37:01 CDT)
- carnal error with crd files stripped of waters Michael Cooney (Fri May 11 2001 - 15:52:47 CDT)
- Re: Residue wise RMSD using carnal Bill Ross (Sun May 13 2001 - 12:28:05 CDT)
- Amber 6.0 on LINUX with absoft Soonmin Jang (Mon May 14 2001 - 02:43:16 CDT)
- phosphotyrosine Fabrizio Giordanetto (Tue May 15 2001 - 10:34:51 CDT)
- AMBER enquiry Marjoribanks, Andrew G (Tue May 15 2001 - 12:21:03 CDT)
- RMSD calculation arubin_at_unmc.edu (Tue May 15 2001 - 14:43:46 CDT)
- Re: RMSD calculation Bill Ross (Tue May 15 2001 - 16:49:39 CDT)
- ewald bomb Martin Crnugelj (Wed May 16 2001 - 02:43:13 CDT)
- average structure Krishna Bisetty (Wed May 16 2001 - 05:33:41 CDT)
- (no subject) Rino Ragno (Wed May 16 2001 - 06:47:15 CDT)
- PSC BIOMEDICAL WORKSHOPS 2001 Troy Wymore (Wed May 16 2001 - 12:27:50 CDT)
- box of water Marcela Madrid (Wed May 16 2001 - 17:04:01 CDT)
- Re: Residence time Nada Spackova (Thu May 17 2001 - 08:24:07 CDT)
- Query Monica (Sat May 19 2001 - 07:09:24 CDT)
- GDP/GTP Nathalie Duclert (Mon May 21 2001 - 08:02:12 CDT)
- matrix diagonalizing subroutines Haitao Dong (Mon May 21 2001 - 13:15:16 CDT)
- matrix diagonalizing subroutines Haitao Dong (Mon May 21 2001 - 13:45:03 CDT)
- f2c.h Osmar Norberto de Souza (Mon May 21 2001 - 15:20:38 CDT)
- Re: Ewald error estimation darden (Mon May 21 2001 - 15:58:17 CDT)
- Re: f2c.h Bill Ross (Mon May 21 2001 - 17:10:56 CDT)
- CUT in AMBER6 arubin_at_unmc.edu (Mon May 21 2001 - 17:53:41 CDT)
- AMBER compilation woes Elizabeth K. White (Tue May 22 2001 - 00:12:04 CDT)
- Re: AMBER compilation woes Bill Ross (Tue May 22 2001 - 02:01:52 CDT)
- compilation on linux6 Monica (Wed May 23 2001 - 07:35:11 CDT)
- Amber, VMD and visualization Hermann von Grafenstein (Thu May 24 2001 - 19:32:44 CDT)
- Peter Kollman jim caldwell (Fri May 25 2001 - 13:10:55 CDT)
- Charges for methylated residue Jithesh P.V. (Mon May 28 2001 - 23:45:46 CDT)
- parameters for neutral amino acids Ngai Ling Ida Ma (Tue May 29 2001 - 00:42:45 CDT)
- problem in xleap Monica (Wed May 30 2001 - 06:15:00 CDT)
- summary: titratable amino acids and counter ions Christian Pilger (Wed May 30 2001 - 07:23:30 CDT)
- problem in xleap (fwd) Monica (Wed May 30 2001 - 07:35:06 CDT)
- Re: problem in xleap Bill Ross (Wed May 30 2001 - 11:50:17 CDT)
- Re: add counterions Bill Ross (Wed May 30 2001 - 11:58:53 CDT)
- Peter Kollman memorial jim caldwell (Wed May 30 2001 - 18:25:17 CDT)
- (no subject) Sarah Tschampel (Thu May 31 2001 - 11:01:09 CDT)
- make test.all crashes in AMBER Elizabeth K. White (Thu May 31 2001 - 16:48:12 CDT)
- machine/OS on which make test.all crashes in AMBER Elizabeth K. White (Thu May 31 2001 - 19:51:22 CDT)
- sander 6 warming up Shixiang Yan (Thu May 31 2001 - 21:06:20 CDT)
- sander_classic no mdcrd Daniel Flint (Fri Jun 01 2001 - 09:06:10 CDT)
- sander_classic no mdcrd Daniel Flint (Fri Jun 01 2001 - 09:06:10 CDT)
- ice cube flying through space Marcela Madrid (Fri Jun 01 2001 - 10:10:53 CDT)
- ice cube flying through space Marcela Madrid (Fri Jun 01 2001 - 10:10:53 CDT)
- Adding crystal water using tleap. Sanjeev B.S. (Sun Jun 03 2001 - 10:04:51 CDT)
- compiling amber6 in linux clusters A.Madhumalar (Sun Jun 03 2001 - 11:35:16 CDT)
- How to minimization of Average structure? Xiaolin Chuang (Sun Jun 03 2001 - 11:57:48 CDT)
- Re: Adding crystal water using tleap. Bill Ross (Sun Jun 03 2001 - 12:19:32 CDT)
- Re: How to minimization of Average structure? Bill Ross (Sun Jun 03 2001 - 13:24:15 CDT)
- dsp3 hybrid for P ? Todd J. Minehardt (Sun Jun 03 2001 - 14:47:41 CDT)
- 90 degree phase offset in AMBER? Kristin Lynne Meagher (Mon Jun 04 2001 - 12:14:27 CDT)
- informations Osvaldo A. Santos-Filho (Mon Jun 04 2001 - 15:31:11 CDT)
- benchmark on X-86 Sanjeev B.S. (Tue Jun 05 2001 - 03:23:37 CDT)
- Error in Gibbs Kian Kani (Tue Jun 05 2001 - 11:42:48 CDT)
- number of atoms for large system Shixiang Yan (Tue Jun 05 2001 - 14:36:50 CDT)
- free energy method Eoin Galligan (Wed Jun 06 2001 - 04:34:53 CDT)
- reflector limitations jim caldwell (Wed Jun 06 2001 - 09:51:05 CDT)
- error msg in leap Eoin Galligan (Wed Jun 06 2001 - 12:30:43 CDT)
- LIE method Katherine Wallis Abold (Wed Jun 06 2001 - 16:14:10 CDT)
- make test.all Elizabeth K. White (Wed Jun 06 2001 - 16:22:46 CDT)
- 2'-deoxy-uracil Anton B. Guliaev (Wed Jun 06 2001 - 17:36:01 CDT)
- leap not reaing torsion from frcmod file Eoin Galligan (Thu Jun 07 2001 - 08:45:22 CDT)
- AMBER on Hitachi SR8000 Florian Barth (Thu Jun 07 2001 - 15:22:32 CDT)
- Re: AMBER on Hitachi SR8000 Bill Ross (Thu Jun 07 2001 - 16:43:48 CDT)
- Zn+2 van der Waals radii Katherine Wallis Abold (Thu Jun 07 2001 - 17:16:14 CDT)
- error message. Margaret Cheung (Fri Jun 08 2001 - 02:24:07 CDT)
- a correction, sorry Andreas Svrcek-Seiler (Fri Jun 08 2001 - 08:43:39 CDT)
- summary of Zn+2 van der Waals radii responses Katherine Wallis Abold (Fri Jun 08 2001 - 09:43:03 CDT)
- igb=1 error message: Unable to find bonded partner for atom 239 Guanglei Cui (Sat Jun 09 2001 - 15:46:03 CDT)
- Animating normal modes David Bevan (Mon Jun 11 2001 - 12:36:39 CDT)
- atom coordinates Troy Bothwell (Mon Jun 11 2001 - 17:47:59 CDT)
- Re: atom coordinates Bill Ross (Mon Jun 11 2001 - 18:29:39 CDT)
- Dual-processor performance. Sanjeev B.S. (Tue Jun 12 2001 - 01:45:24 CDT)
- Re: Non-standard DNA bases Bill Ross (Tue Jun 12 2001 - 16:39:05 CDT)
- Non-standard DNA bases J Suggs (Tue Jun 12 2001 - 18:32:21 CDT)
- GFP chromophore force field parameters Dr Chris L. Brown (Wed Jun 13 2001 - 20:31:56 CDT)
- Re: mm_pbsa samantha hughes (Thu Jun 14 2001 - 02:06:47 CDT)
- Problem in MD! PRADIPTA Bandyopadhyay (Thu Jun 14 2001 - 12:16:59 CDT)
- Is there a potential for speedup in the GB-code ? Andreas Svrcek-Seiler (Fri Jun 15 2001 - 10:05:36 CDT)
- coordinate blowup in sander Michael Cooney (Fri Jun 15 2001 - 11:29:05 CDT)
- An Invitation From The Middle East Chemical Industry iec_at_emirates.net.ae (Sat Jun 16 2001 - 12:34:21 CDT)
- RESP X GAMESS Dummie Question Jones de Andrade (Mon Jun 18 2001 - 12:22:11 CDT)
- WHY NOT TRY IT? go5612gwe_at_arabia.com (Mon Jun 18 2001 - 14:02:17 CDT)
- water parameters+TIP3 water model Satyavani Vemparala (Mon Jun 18 2001 - 15:00:00 CDT)
- PMF calculations Eoin Galligan (Tue Jun 19 2001 - 05:58:26 CDT)
- AMBER Phil Cunningham (Tue Jun 19 2001 - 15:53:11 CDT)
- parallel sander Yuguang Mu (Wed Jun 20 2001 - 09:58:39 CDT)
- equilibrating water in sander Elizabeth K. White (Wed Jun 20 2001 - 18:00:00 CDT)
- zinc Nicoletta Pucello (Thu Jun 21 2001 - 03:39:03 CDT)
- CARNAL Olga Carvalho (Thu Jun 21 2001 - 09:27:14 CDT)
- Re: parallel sander Yuguang Mu (Fri Jun 22 2001 - 01:43:07 CDT)
- emin after molecular dynamics Nicole Silvester (Fri Jun 22 2001 - 02:41:06 CDT)
- gb with explicit water molecules Guanglei Cui (Fri Jun 22 2001 - 11:05:52 CDT)
- iwrap & TIP3P model water Xiaolin Chuang (Fri Jun 22 2001 - 11:20:06 CDT)
- Re: Linux stability Bill Ross (Fri Jun 22 2001 - 15:51:17 CDT)
- Re: CCl4 charge problem... jim caldwell (Fri Jun 22 2001 - 16:03:13 CDT)
- (no subject) bxiong (Fri Jun 22 2001 - 21:11:09 CDT)
- Re: Wrong compilation artifacts on ES40s? Bill Ross (Sun Jun 24 2001 - 12:59:27 CDT)
- Wrong compilation artifacts on ES40s? Sanjeev B.S. (Sun Jun 24 2001 - 13:43:11 CDT)
- AmberFFC version 1.2 Francois Dupradeau (Sun Jun 24 2001 - 15:49:29 CDT)
- gradual warming + partial solvation Eoin Galligan (Mon Jun 25 2001 - 09:59:44 CDT)
- My input problem in amber6 ! A. Ababou (Mon Jun 25 2001 - 10:54:18 CDT)
- Charges for a 2-iodine-phenol stefania_at_mail.unimo.it (Mon Jun 25 2001 - 11:29:27 CDT)
- Machine file for sgi kian kani (Mon Jun 25 2001 - 12:25:21 CDT)
- Best Topolgy for Linux Cluster Sanjeev B.S. (Tue Jun 26 2001 - 07:17:51 CDT)
- Energy calculation Prem Raj Joseph (Tue Jun 26 2001 - 11:34:38 CDT)
- begginer's question about RESP and GAMESS Jones de Andrade (Tue Jun 26 2001 - 12:44:02 CDT)
- Re: begginer's question. jim caldwell (Tue Jun 26 2001 - 14:20:32 CDT)
- Resp input confusion. jim caldwell (Tue Jun 26 2001 - 16:55:07 CDT)
- RE: CCl4 charge problem... Thomas.Fox_at_bc.boehringer-ingelheim.com (Wed Jun 27 2001 - 03:16:19 CDT)
- RE: CCl4 charge problem... (part II) Thomas.Fox_at_bc.boehringer-ingelheim.com (Wed Jun 27 2001 - 05:04:17 CDT)
- tleap input format A.Madhumalar (Wed Jun 27 2001 - 08:20:02 CDT)
- AMBER on mpi Marco Punta (Wed Jun 27 2001 - 12:39:46 CDT)
- resp charges: ccl4 jag vs. g98 jim caldwell (Wed Jun 27 2001 - 17:51:49 CDT)
- Parameter for abasic nucleotide Numan Oezguen (Wed Jun 27 2001 - 21:48:58 CDT)
- re: Amber compiling on Alpha Clusters Redhat Linux Chuck Schneider (Thu Jun 28 2001 - 07:08:41 CDT)
- folding simulations Elizabeth K. White (Thu Jun 28 2001 - 16:52:19 CDT)
- Problems with AMBER John Finke (Thu Jun 28 2001 - 20:04:52 CDT)
- Re: Problems with AMBER Bill Ross (Thu Jun 28 2001 - 21:49:52 CDT)
- TIP3P Guanglei Cui (Fri Jun 29 2001 - 00:22:57 CDT)
- torsion parameters needed Guanglei Cui (Fri Jun 29 2001 - 00:40:06 CDT)
- Re: TIP3P Bill Ross (Fri Jun 29 2001 - 01:34:47 CDT)
- AMBER parameter database Dr Richard Bryce (Fri Jun 29 2001 - 11:47:18 CDT)
- gibbs_restrt Olga Carvalho (Mon Jul 02 2001 - 07:21:00 CDT)
- high density spot Guanglei Cui (Mon Jul 02 2001 - 09:49:30 CDT)
- vdw parameters for:THR-HG1, TYR-HH Omer Katzenelson (Mon Jul 02 2001 - 20:49:27 CDT)
- C DNA MONOMER UNITS A.Madhumalar (Tue Jul 03 2001 - 02:38:11 CDT)
- Hritz Jozef Hritz (Tue Jul 03 2001 - 06:58:18 CDT)
- Re: CCl4 ESP Grid problem with jaguar | 010628a (fwd) jim caldwell (Tue Jul 03 2001 - 14:38:21 CDT)
- addles Eoin Galligan (Wed Jul 04 2001 - 08:18:59 CDT)
- amber5 and 77000 atoms ... A. Ababou (Wed Jul 04 2001 - 10:36:16 CDT)
- RE: CCl4 ESP Grid problem with jaguar | 010628a (fwd) Bayly, Christopher (Wed Jul 04 2001 - 10:50:19 CDT)
- (no subject) Michal Otyepka (Wed Jul 04 2001 - 12:20:54 CDT)
- amber5 and 77000 atoms ... A. Ababou (Wed Jul 04 2001 - 13:20:38 CDT)
- RE: CCl4 ESP Grid problem with jaguar GUILBAUD Philippe 153683 (Thu Jul 05 2001 - 04:09:07 CDT)
- nucgen Xiaolin Chuang (Thu Jul 05 2001 - 07:06:39 CDT)
- gamess X resp : Conclusions. (fwd) jim caldwell (Thu Jul 05 2001 - 12:17:50 CDT)
- shared memory Daniel GENEST (Fri Jul 06 2001 - 11:33:10 CDT)
- (no subject) Sue Heavner (Fri Jul 06 2001 - 12:08:38 CDT)
- Amber 6 Luckhana (Fri Jul 06 2001 - 13:23:35 CDT)
- Re: amber5/6 Bill Ross (Fri Jul 06 2001 - 15:18:23 CDT)
- problem in xleap Monica (Mon Jul 09 2001 - 01:47:48 CDT)
- Re: stop COM motions in AMBER 5.0.1 question David Case (Mon Jul 09 2001 - 10:06:21 CDT)
- Help with Leap! Dat H. Nguyen (Mon Jul 09 2001 - 19:17:58 CDT)
- Re: Help with Leap! Bill Ross (Mon Jul 09 2001 - 19:34:52 CDT)
- problem in xleap Monica (Tue Jul 10 2001 - 22:51:18 CDT)
- problem in xleap Monica (Tue Jul 10 2001 - 22:51:18 CDT)
- about ion concentration in protein simulation Shixiang Yan (Wed Jul 11 2001 - 08:48:16 CDT)
- Request r ojha (Wed Jul 11 2001 - 13:06:23 CDT)
- Internal Restraints in Sander Problem Manoj Cheriyan (Wed Jul 11 2001 - 17:19:31 CDT)
- Re: Internal Restraints in Sander Problem Bill Ross (Wed Jul 11 2001 - 17:40:55 CDT)
- Re: about ion concentration in protein simulation Bill Ross (Wed Jul 11 2001 - 17:49:27 CDT)
- Parameters for phosphonate available? Gudrun Schuerer (Thu Jul 12 2001 - 08:27:46 CDT)
- histidines normal-modes Jones de Andrade (Thu Jul 12 2001 - 09:04:23 CDT)
- ptraj diffusion dkon_at_email.arizona.edu (Thu Jul 12 2001 - 13:32:38 CDT)
- addions tianxiao young (Thu Jul 12 2001 - 21:55:38 CDT)
- parm94 eric arnoult (Fri Jul 13 2001 - 07:40:20 CDT)
- ewald bomb in amber 6 Todd J. Minehardt (Fri Jul 13 2001 - 09:21:50 CDT)
- ADDING IONS USING EDIT A.Madhumalar (Sat Jul 14 2001 - 12:54:31 CDT)
- Essential Dynamics Sanjeev B.S. (Sun Jul 15 2001 - 10:48:12 CDT)
- dipolar couplings Richard Stefl (Mon Jul 16 2001 - 07:30:07 CDT)
- sander minimization problems with igb=3, ntb =0 Todd J. Minehardt (Mon Jul 16 2001 - 08:28:46 CDT)
- installing amber6 UMEMOTO, Kimiko (Tue Jul 17 2001 - 03:37:13 CDT)
- Re: installing amber6 Bill Ross (Tue Jul 17 2001 - 13:18:06 CDT)
- potentials tianxiao young (Tue Jul 17 2001 - 21:58:28 CDT)
- ptraj: principal axes Thomas C. Bishop (Wed Jul 18 2001 - 08:23:30 CDT)
- Announcing PyMOL v0.56 (+ Windows Installer) DeLano, Warren (Wed Jul 18 2001 - 14:14:45 CDT)
- AMBER box dkon_at_email.arizona.edu (Wed Jul 18 2001 - 18:20:00 CDT)
- equilibriating LES Eoin Galligan (Thu Jul 19 2001 - 05:27:55 CDT)
- parm99 Giulio Rastelli (Thu Jul 19 2001 - 06:01:41 CDT)
- question Zhangxd (Thu Jul 19 2001 - 09:05:18 CDT)
- Amber installation Miguel Cabrera Fuentes (Fri Jul 20 2001 - 13:47:35 CDT)
- dissociation of protein from DNA in MD Michael Cooney (Sat Jul 21 2001 - 14:50:27 CDT)
- constraining hydrogen bonds A.Madhumalar (Sun Jul 22 2001 - 10:19:02 CDT)
- Re: constraining hydrogen bonds Bill Ross (Sun Jul 22 2001 - 17:50:24 CDT)
- Intprt in PMF calculations Ulf Ryde (Mon Jul 23 2001 - 06:18:57 CDT)
- rigid body motion dkon_at_email.arizona.edu (Mon Jul 23 2001 - 12:20:27 CDT)
- Npairs Exceeds Max Anton B. Guliaev (Mon Jul 23 2001 - 12:37:48 CDT)
- [charmm-bbs] Post-doctoral position available Chris Chipot (Mon Jul 23 2001 - 18:32:19 CDT)
- Post-doctoral position available Chris Chipot (Mon Jul 23 2001 - 18:32:19 CDT)
- Question... backy_at_ibms.sinica.edu.tw (Tue Jul 24 2001 - 00:57:56 CDT)
- A request regarding AMBER postings with attached files Anita Ilze Zvaigzne (Tue Jul 24 2001 - 05:18:42 CDT)
- Windows Virus Markus Drumm (Tue Jul 24 2001 - 05:42:07 CDT)
- Re: A request regarding AMBER postings with attached files (fwd) Andrew Gordon Purkiss (Tue Jul 24 2001 - 06:14:29 CDT)
- block attachments? Jake Isaacs (Tue Jul 24 2001 - 08:22:46 CDT)
- hybridization tianxiao young (Tue Jul 24 2001 - 09:10:55 CDT)
- trajectory analysis dkon_at_email.arizona.edu (Tue Jul 24 2001 - 13:15:31 CDT)
- Re: trajectory analysis Bill Ross (Tue Jul 24 2001 - 13:48:54 CDT)
- spam jim caldwell (Tue Jul 24 2001 - 16:11:45 CDT)
- water cap Guanglei Cui (Tue Jul 24 2001 - 23:29:45 CDT)
- Trosion parameters Eric ARNOULT (Wed Jul 25 2001 - 03:34:25 CDT)
- DelPhi's manual Xiaolin Chuang (Wed Jul 25 2001 - 12:37:04 CDT)
- ptraj to re-associate protein+DNA Michael Cooney (Wed Jul 25 2001 - 16:34:29 CDT)
- About Delphi... backy_at_ibms.sinica.edu.tw (Wed Jul 25 2001 - 22:42:10 CDT)
- solvation energy calculation Xiaolin Chuang (Thu Jul 26 2001 - 04:12:07 CDT)
- Re: Adding ions in xleap Yuguang Mu (Fri Jul 27 2001 - 01:25:38 CDT)
- MD run with constantly decreasing total energy (fwd) jim caldwell (Sun Jul 29 2001 - 21:28:36 CDT)
- simulating membranes with AMBER (fwd) jim caldwell (Mon Jul 30 2001 - 10:16:06 CDT)
- beginners problem (fwd) jim caldwell (Mon Jul 30 2001 - 10:16:28 CDT)
- vdW parameters for our friend, vanadium (fwd) jim caldwell (Mon Jul 30 2001 - 13:54:33 CDT)
- problem with xleap and sander! (fwd) jim caldwell (Mon Jul 30 2001 - 13:56:23 CDT)
- is parm98 the same as parm99? (fwd) jim caldwell (Tue Jul 31 2001 - 09:59:54 CDT)
- restarting gibbs (fwd) jim caldwell (Tue Jul 31 2001 - 10:00:25 CDT)
- box information Giulio Rastelli (Tue Jul 31 2001 - 12:39:29 CDT)
- Re: simulating membranes with AMBER Thomas Huber (Tue Jul 31 2001 - 13:54:38 CDT)
- Problem with Dat H. Nguyen (Tue Jul 31 2001 - 18:22:21 CDT)
- questions for group specification... backy_at_ibms.sinica.edu.tw (Wed Aug 01 2001 - 04:11:59 CDT)
- Gibbs and cutoff! PRADIPTA Bandyopadhyay (Sat Aug 04 2001 - 17:23:30 CDT)
- varying cartesian restraint Raik Grunberg (Sun Aug 05 2001 - 04:48:28 CDT)
- Model(l)ing 2001 in Erlangen/Germany: Bursaries and Awards available! Harald Lanig (Mon Aug 06 2001 - 08:04:51 CDT)
- water molecules in a periodic box Giulio Rastelli (Mon Aug 06 2001 - 12:03:41 CDT)
- Leap and parm/pert! PRADIPTA Bandyopadhyay (Mon Aug 06 2001 - 18:45:00 CDT)
- Can amber calculate the gibbs perturb energy when a ligand added a group sxzheng (Mon Aug 06 2001 - 22:26:13 CDT)
- reflector back on. jim caldwell (Tue Aug 14 2001 - 14:30:19 CDT)
- Linux-cluster performance Florian Barth (Wed Aug 15 2001 - 08:07:51 CDT)
- Combination of two solvents Alexander Steudle (Wed Aug 15 2001 - 09:58:15 CDT)
- charge on protein Giulio Rastelli (Wed Aug 15 2001 - 12:08:43 CDT)
- box size tianxiao young (Wed Aug 15 2001 - 23:31:40 CDT)
- Protonated Water Dr. Andrea Cavalli (Thu Aug 16 2001 - 02:37:33 CDT)
- polarization Jerry wu (Fri Aug 17 2001 - 04:29:07 CDT)
- free energy contribution of selected atoms vs. MM-PB/GBSA Michal Otyepka (Fri Aug 17 2001 - 06:25:55 CDT)
- AMBER6 on IBMSP3 (again) Xavier Deupi (Fri Aug 17 2001 - 10:03:36 CDT)
- sander input in Amber 6 Anton B. Guliaev (Fri Aug 17 2001 - 10:14:32 CDT)
- Gibbs sara nunez (Fri Aug 17 2001 - 10:50:25 CDT)
- ERR IN MD RUN!! A.Madhumalar (Sun Aug 19 2001 - 03:40:19 CDT)
- MAXGRP parameter HAllawi_at_TWT.com (Mon Aug 20 2001 - 12:18:33 CDT)
- changing the g77 optimization for compiling sander_classic Margaret Cheung (Mon Aug 20 2001 - 15:08:30 CDT)
- adding atoms and amino acid residues Marcela Madrid (Mon Aug 20 2001 - 16:52:31 CDT)
- changing the g77 optimization for compiling sander_classic Margaret Cheung (Mon Aug 20 2001 - 19:25:41 CDT)
- Re: adding atoms and amino acid residues Bill Ross (Mon Aug 20 2001 - 20:10:48 CDT)
- density in equilibration? Shixiang Yan (Tue Aug 21 2001 - 11:38:35 CDT)
- CARNAL Omer Katzenelson (Tue Aug 21 2001 - 20:27:54 CDT)
- Utilizing Amber6 on Linux Cluster Scott E. Boesch (Wed Aug 22 2001 - 09:24:42 CDT)
- problem using xleap and tleap Rozita Dara (Wed Aug 22 2001 - 12:13:08 CDT)
- Re: problem using xleap and tleap Bill Ross (Wed Aug 22 2001 - 12:23:27 CDT)
- defining states in Gibbs Sophia Kondratova (Wed Aug 22 2001 - 14:39:35 CDT)
- Analysising the results Rozita Dara (Wed Aug 22 2001 - 15:03:28 CDT)
- ptraj Troy Wymore (Thu Aug 23 2001 - 10:30:23 CDT)
- Error message Rozita Dara (Thu Aug 23 2001 - 10:59:57 CDT)
- (no subject) Xiaolin Chuang (Thu Aug 23 2001 - 11:00:49 CDT)
- Error message Rozita Dara (Thu Aug 23 2001 - 12:46:12 CDT)
- ... error message Rozita Dara (Thu Aug 23 2001 - 14:14:07 CDT)
- summary: AMBER6 on IBMSP3 Xavier Deupi (Fri Aug 24 2001 - 02:04:19 CDT)
- How to deal with the little molcule? sxzheng (Fri Aug 24 2001 - 09:48:22 CDT)
- ntc in sander6 Xavier Deupi (Sat Aug 25 2001 - 07:08:12 CDT)
- Mystery protons! Sanjeev B.S. (Sun Aug 26 2001 - 07:03:11 CDT)
- coordinate resetting ? Guido Hansen (Mon Aug 27 2001 - 03:46:51 CDT)
- computing order parameters from an MD trajectory Jake Isaacs (Mon Aug 27 2001 - 09:45:58 CDT)
- L-J mixing rules? Kevin Van Workum (Mon Aug 27 2001 - 11:10:24 CDT)
- group input Raja Swaminathan (Tue Aug 28 2001 - 12:28:04 CDT)
- shake tricks? Peter Varnai (Thu Aug 30 2001 - 08:57:00 CDT)
- residue numbering in dimers and trimers Joseph Nachman (Thu Aug 30 2001 - 11:41:48 CDT)
- Re: residue numbering in dimers and trimers Bill Ross (Thu Aug 30 2001 - 12:00:44 CDT)
- question Jie Guo (Thu Aug 30 2001 - 12:58:37 CDT)
- movie for subset of atoms Anton B. Guliaev (Thu Aug 30 2001 - 15:42:14 CDT)
- Newton-Raphson minimization! Dat H. Nguyen (Thu Aug 30 2001 - 18:20:56 CDT)
- torsional profile Giulio Rastelli (Thu Aug 30 2001 - 19:02:39 CDT)
- NPT restart problem Sanjeev B.S. (Fri Aug 31 2001 - 05:16:37 CDT)
- NPT restart problem Sanjeev B.S. (Fri Aug 31 2001 - 08:19:48 CDT)
- SPC water Jerry wu (Fri Aug 31 2001 - 09:01:32 CDT)
- COORDINATE RESETTING Sanjeev B.S. (Sun Sep 02 2001 - 07:56:12 CDT)
- error message Guanglei Cui (Mon Sep 03 2001 - 10:12:17 CDT)
- peek_ewad_inpcrd Lakshmi P. Kotra (Mon Sep 03 2001 - 12:57:31 CDT)
- Dist restraints + Belly Dyn Sanjeev B.S. (Thu Sep 06 2001 - 07:05:41 CDT)
- library files in leap Michael G Cooney (Thu Sep 06 2001 - 14:35:15 CDT)
- Unit of force constant Chigusa Kobayashi (Thu Sep 06 2001 - 15:23:14 CDT)
- xleap crashing on sgi's Michael G Cooney (Thu Sep 06 2001 - 15:36:46 CDT)
- Re: library files in leap Bill Ross (Thu Sep 06 2001 - 17:11:06 CDT)
- Belly+Restraints Sanjeev B.S. (Fri Sep 07 2001 - 05:32:16 CDT)
- Strange density behavior with tr. octahedral box and constant pressure Michael Jakusch (Fri Sep 07 2001 - 08:24:53 CDT)
- ESS Workshop - Flexibility and Function of Proteins ess-ws_at_iwr.uni-heidelberg.de (Fri Sep 07 2001 - 09:04:57 CDT)
- generalized born model on protein or peptide liz (Fri Sep 07 2001 - 11:43:02 CDT)
- problem with anal arnaud (Fri Sep 07 2001 - 11:47:24 CDT)
- parameter regarding S-O Shixiang Yan (Fri Sep 07 2001 - 16:32:25 CDT)
- hydorgen bond life time thenmalar rathinavelan (Fri Sep 07 2001 - 23:14:18 CDT)
- Result: Dist restraints + Belly Sanjeev B.S. (Sat Sep 08 2001 - 06:24:37 CDT)
- MD run with constantly decreasing total energy Sue Heavner (Sat Sep 08 2001 - 17:00:25 CDT)
- partial solvation using delphi Shixiang Yan (Sun Sep 09 2001 - 13:10:32 CDT)
- input parameter for amber5 Hungie Hungie (Mon Sep 10 2001 - 07:03:26 CDT)
- Add electric field Long Hai (Mon Sep 10 2001 - 13:41:12 CDT)
- a funny problem about output for sander_classic Shixiang Yan (Tue Sep 11 2001 - 16:12:13 CDT)
- trajectory analysis Eoin Galligan (Wed Sep 12 2001 - 11:21:16 CDT)
- energies for part of the protein Elizabeth K. White (Wed Sep 12 2001 - 17:21:10 CDT)
- Re: energies for part of the protein Bill Ross (Wed Sep 12 2001 - 19:07:32 CDT)
- Problem minimizing on SGI (SHOULD NOT BE HERE). Andrew Hoofnagle (Thu Sep 13 2001 - 12:37:05 CDT)
- Problem with compilation of AMBER on IBM Power3 SP Eric Aubanel (Thu Sep 13 2001 - 15:05:50 CDT)
- error Rozita Dara (Fri Sep 14 2001 - 11:07:07 CDT)
- Re: how to write out... F. Ryjacek (Fri Sep 14 2001 - 12:23:20 CDT)
- (no subject) F. Ryjacek (Fri Sep 14 2001 - 12:34:41 CDT)
- LAPACK required by Amber Eric Aubanel (Fri Sep 14 2001 - 13:49:46 CDT)
- parameters Marcela Madrid (Fri Sep 14 2001 - 14:50:26 CDT)
- compile leap nepenthes_at_vplaces.net (Mon Sep 17 2001 - 02:16:51 CDT)
- Re: compile leap Bill Ross (Mon Sep 17 2001 - 02:28:12 CDT)
- about radius of gyration Nikolai Smolin (Mon Sep 17 2001 - 09:49:10 CDT)
- Re: about radius of gyration Bill Ross (Mon Sep 17 2001 - 11:14:53 CDT)
- Ewald Bomb Marcela Madrid (Tue Sep 18 2001 - 08:29:23 CDT)
- esp with gamess-usB Uwe Richter (Wed Sep 19 2001 - 08:05:26 CDT)
- another error Rozita Dara (Wed Sep 19 2001 - 10:01:11 CDT)
- Gibbs, PME, DynModW, ISDX0, etc. Michael Jakusch (Thu Sep 20 2001 - 07:39:47 CDT)
- Problem in GIBBS! PRADIPTA Bandyopadhyay (Thu Sep 20 2001 - 13:38:05 CDT)
- Re: restraints and type Bill Ross (Fri Sep 21 2001 - 10:41:15 CDT)
- restraints and type Christine Bathelt (Fri Sep 21 2001 - 11:24:57 CDT)
- limit in xleap Anton B. Guliaev (Fri Sep 21 2001 - 17:13:03 CDT)
- Info about LEaP Paolo Daniele (Mon Sep 24 2001 - 10:21:39 CDT)
- Re: starting MD from t=0 Sanjeev B.S. (Mon Sep 24 2001 - 11:30:07 CDT)
- water model Jerry wu (Mon Sep 24 2001 - 19:23:33 CDT)
- Re: water model Bill Ross (Tue Sep 25 2001 - 01:21:44 CDT)
- chlorine parameters M ESTA Laurent (Tue Sep 25 2001 - 03:06:31 CDT)
- (no subject) A.Madhumalar (Tue Sep 25 2001 - 05:36:46 CDT)
- RESP demo files Michael G Cooney (Tue Sep 25 2001 - 11:05:09 CDT)
- Re: Velocity information in CARNAL generated restart files Bill Ross (Tue Sep 25 2001 - 14:32:51 CDT)
- Perturbed internal coordinate parameters Michael Jakusch (Wed Sep 26 2001 - 14:40:36 CDT)
- CMC/MD wentaofu (Wed Sep 26 2001 - 18:03:37 CDT)
- Re: CMC/MD Bill Ross (Wed Sep 26 2001 - 19:34:45 CDT)
- about pressure Nikolai Smolin (Thu Sep 27 2001 - 08:33:56 CDT)
- (no subject) xin hu (Thu Sep 27 2001 - 21:27:27 CDT)
- P-N-parameters Christine Bathelt (Fri Sep 28 2001 - 08:15:36 CDT)
- Re: LINMIN Failure Michael Jakusch (Mon Oct 01 2001 - 10:17:17 CDT)
- Possible error in AMBER parm94 file? John D. Chodera (Mon Oct 01 2001 - 19:01:37 CDT)
- GB and Ions, 2nd try Andreas Svrcek-Seiler (Tue Oct 02 2001 - 10:43:39 CDT)
- prowat test difficulties C. Singer (Tue Oct 02 2001 - 13:37:39 CDT)
- RE: Binary mdcrd Halima Amer (Wed Oct 03 2001 - 01:43:41 CDT)
- Temperature and pressure couplings Filip Lankas (Wed Oct 03 2001 - 10:38:56 CDT)
- NAN errors during production runs Oliver Zerbe (Wed Oct 03 2001 - 11:45:10 CDT)
- ?s: Xeon vs. Athlon, latency R. M. Fesinmeyer (Wed Oct 03 2001 - 22:36:38 CDT)
- post-processing of energy analysis Katherine Wallis Abold (Sun Oct 07 2001 - 15:58:30 CDT)
- [Fwd: ?s: Xeon vs. Athlon, latency] Stephane (Mon Oct 08 2001 - 02:43:24 CDT)
- NPSCAL parameter Nikolai Smolin (Mon Oct 08 2001 - 06:20:24 CDT)
- Amber 6 MDCRD Files > 2GB in 32 bit Linux. Ross Walker (Mon Oct 08 2001 - 06:49:14 CDT)
- analysis problem Eoin Galligan (Mon Oct 08 2001 - 08:12:22 CDT)
- Re: NPSCAL parameter Bill Ross (Mon Oct 08 2001 - 10:36:10 CDT)
- RESP charges Eva Darian (Mon Oct 08 2001 - 16:44:16 CDT)
- Code modification. John Finke (Mon Oct 08 2001 - 18:16:44 CDT)
- ISTAR option and performance Anton B. Guliaev (Tue Oct 09 2001 - 12:39:10 CDT)
- P4 benchmarks posted Robert Matthew Fesinmeyer (Thu Oct 11 2001 - 15:10:14 CDT)
- 5-methyl deoxycytosine parameters Jake Isaacs (Fri Oct 12 2001 - 08:13:59 CDT)
- parameters Didier Rognan (Fri Oct 12 2001 - 11:12:37 CDT)
- energy decomposition Elizabeth K. White (Sat Oct 13 2001 - 08:51:40 CDT)
- trajectory analysis Sue Heavner (Sat Oct 13 2001 - 14:26:41 CDT)
- adding water Rozita Dara (Sat Oct 13 2001 - 21:40:22 CDT)
- Re: adding water Bill Ross (Sat Oct 13 2001 - 23:44:47 CDT)
- Re: Can amber calculate the gibbs perturb energy when a ligand added a group Bill Ross (Sat Oct 13 2001 - 23:50:14 CDT)
- torsional profile with MD Giulio Rastelli (Mon Oct 15 2001 - 11:17:34 CDT)
- Re: torsional profile with MD Bill Ross (Mon Oct 15 2001 - 12:12:21 CDT)
- ANAL Elizabeth K. White (Mon Oct 15 2001 - 12:45:18 CDT)
- Re: ANAL Bill Ross (Mon Oct 15 2001 - 13:17:23 CDT)
- problem in a short MD with protein fixed dwang (Tue Oct 16 2001 - 20:00:26 CDT)
- Amber6 on SuSE Linux Toshikazu Matsuoka (Wed Oct 17 2001 - 03:56:49 CDT)
- distribution of Na+ around DNA Xiaolin Chuang (Wed Oct 17 2001 - 07:04:54 CDT)
- image command of ptraj Xiaolin Chuang (Wed Oct 17 2001 - 07:22:20 CDT)
- iwrap Xiaolin Chuang (Wed Oct 17 2001 - 07:27:39 CDT)
- help seema namboori (Wed Oct 17 2001 - 08:50:53 CDT)
- Re: distribution of Na+ around DNA Bill Ross (Wed Oct 17 2001 - 09:32:02 CDT)
- possible bug in carnal in AMBER5 Michael G Cooney (Wed Oct 17 2001 - 16:00:01 CDT)
- Re: possible bug in carnal in AMBER5 Bill Ross (Wed Oct 17 2001 - 16:09:00 CDT)
- Drivers to support Stereo Viewing in VMD etc using Standard GeForce Cards Ross Walker (Thu Oct 18 2001 - 09:00:48 CDT)
- torsional profile Giulio Rastelli (Thu Oct 18 2001 - 10:29:12 CDT)
- Re: Drivers to support Stereo Viewing in VMD etc using Standard GeForce Cards David Konerding (Thu Oct 18 2001 - 10:30:38 CDT)
- RE: Drivers to support Stereo Viewing in VMD etc using Standard GeForce Cards DeLano, Warren (Thu Oct 18 2001 - 11:48:53 CDT)
- Re: Aqvist LJ parameters Samantha (Thu Oct 18 2001 - 13:34:46 CDT)
- Interface program installation Sophia Kondratova (Fri Oct 19 2001 - 12:25:19 CDT)
- Problem in GIBBS! PRADIPTA Bandyopadhyay (Fri Oct 19 2001 - 15:43:41 CDT)
- color in xleap Soonmin Jang (Sat Oct 20 2001 - 21:35:30 CDT)
- h-bond energy Min Wu (Sun Oct 21 2001 - 09:07:15 CDT)
- generation of small organic molecules on xleap Soonmin Jang (Sun Oct 21 2001 - 18:55:17 CDT)
- Re: generation of small organic molecules on xleap Bill Ross (Sun Oct 21 2001 - 23:48:53 CDT)
- xleap: japanese keyboad Toshikazu Matsuoka (Mon Oct 22 2001 - 00:41:02 CDT)
- Err in equilibration run A.Madhumalar (Mon Oct 22 2001 - 01:22:09 CDT)
- Re: Err in equilibration run Bill Ross (Mon Oct 22 2001 - 02:03:38 CDT)
- DNA strands separated... Jithesh P.V. (Mon Oct 22 2001 - 02:07:09 CDT)
- question about implicit solvation model with AMBER Howard Feldman (Tue Oct 23 2001 - 09:55:36 CDT)
- substracting of MM nonbondeb potential from QM curve Michal Otyepka (Tue Oct 23 2001 - 12:24:44 CDT)
- Define flexible residues during MD simulation wentaofu (Tue Oct 23 2001 - 16:59:59 CDT)
- Methane minimization using Interface Sophia Kondratova (Wed Oct 24 2001 - 09:17:36 CDT)
- param CT-CT-CT-OH Michal Otyepka (Wed Oct 24 2001 - 13:54:56 CDT)
- roar-cp crashed Yuguang Mu (Wed Oct 24 2001 - 16:25:38 CDT)
- how to add Zn Ca parameters Xin Hu (Wed Oct 24 2001 - 18:08:51 CDT)
- Re: how to add Zn Ca parameters Bill Ross (Wed Oct 24 2001 - 19:04:58 CDT)
- NSCM setting to remove center of mass motion Michael G Cooney (Thu Oct 25 2001 - 11:52:09 CDT)
- Maxwell-Boltzmann distribution of velocities Marcela Madrid (Thu Oct 25 2001 - 14:23:08 CDT)
- belly with GB term Tomoshi Kameda (Thu Oct 25 2001 - 14:54:22 CDT)
- Need some help with Amber/Linux John Nicholas (Thu Oct 25 2001 - 16:42:52 CDT)
- unusual parameters pascal bonnet (Fri Oct 26 2001 - 03:06:26 CDT)
- Xleap, PDB file format Sophia Kondratova (Fri Oct 26 2001 - 10:00:26 CDT)
- MAX_RSTACK Dr David R V Buckley (Fri Oct 26 2001 - 10:44:02 CDT)
- RESP charges! PRADIPTA Bandyopadhyay (Fri Oct 26 2001 - 15:24:45 CDT)
- Re: (no subject) Bill Ross (Fri Oct 26 2001 - 17:51:36 CDT)
- help for restrained minimization xin.hu_at_ndsu.nodak.edu (Fri Oct 26 2001 - 23:10:19 CDT)
- Err in equilibration run A.Madhumalar (Sun Oct 28 2001 - 04:02:55 CST)
- Interface and Sander_classic Sophia Kondratova (Tue Oct 30 2001 - 07:06:03 CST)
- NFFT Hungie Hungie (Tue Oct 30 2001 - 08:43:48 CST)
- How to turn off PME? Hungie Hungie (Tue Oct 30 2001 - 09:49:45 CST)
- Re: NFFT Michael Crowley (Tue Oct 30 2001 - 10:24:38 CST)
- IMPORTANT Amber mail list announcement jim caldwell (Tue Oct 30 2001 - 13:44:48 CST)
- what should change in the parameter? backy_at_ibms.sinica.edu.tw (Wed Oct 31 2001 - 03:52:10 CST)
- NPT to NVE ensemble Hungie Hungie (Wed Oct 31 2001 - 07:31:20 CST)
- charges for non-standard AAs Uwe Richter (Wed Oct 31 2001 - 07:46:15 CST)
- sander_classic wentaofu (Wed Oct 31 2001 - 13:57:07 CST)
- charge fitting Uwe Richter (Thu Nov 01 2001 - 06:36:35 CST)
- query Monica (Thu Nov 01 2001 - 08:14:02 CST)
- restraint Xin Hu (Thu Nov 01 2001 - 16:48:29 CST)
- Re: restraint Bill Ross (Thu Nov 01 2001 - 17:04:13 CST)
- equilibration Amesh Patel (Thu Nov 01 2001 - 23:09:57 CST)
- New product creates custom e-mail lists! paopao1188_at_hotmail.com (Fri Nov 02 2001 - 09:10:35 CST)
- query (fwd) Monica (Fri Nov 02 2001 - 22:56:30 CST)
- help seema namboori (Sat Nov 03 2001 - 11:05:40 CST)
- help seema namboori (Sat Nov 03 2001 - 11:06:29 CST)
- E is not constant in NVE Hungie Hungie (Mon Nov 05 2001 - 03:03:10 CST)
- MD in vacuo Lepsa (Mon Nov 05 2001 - 12:52:08 CST)
- New product creates custom e-mail lists! paopao1188_at_hotmail.com (Tue Nov 06 2001 - 06:18:24 CST)
- Parameters for DMSO solvent Salinthip Thipayang (Tue Nov 06 2001 - 12:26:48 CST)
- Gaussian 98 to RESP Sophia Kondratova (Tue Nov 06 2001 - 13:04:59 CST)
- PARMSCAN Michal Otyepka (Tue Nov 06 2001 - 14:59:42 CST)
- AMBER Compile Question C. Singer (Tue Nov 06 2001 - 20:07:31 CST)
- how to pay Koji YOSHIDA (Tue Nov 06 2001 - 21:53:18 CST)
- Question Irina Tikhonova (Thu Nov 08 2001 - 12:26:11 CST)
- Prep.in Tikhonova Irina (Thu Nov 08 2001 - 15:44:49 CST)
- Amber 6.0 on Intel IA-64 Server Ramakrishna S (EPD-BLRSJP-PEG) (Thu Nov 08 2001 - 21:08:51 CST)
- RESP fit: ivary -1 ? nanook1000_at_web.de (Sat Nov 10 2001 - 05:47:39 CST)
- Amber 6.0 on Linux Cluster C. Singer (Sat Nov 10 2001 - 11:34:27 CST)
- opinion about buying linux clusters. Margaret Cheung (Sat Nov 10 2001 - 14:00:46 CST)
- PME model Jerry wu (Sun Nov 11 2001 - 01:01:40 CST)
- how to form ljp-files for PROFEC ? Irina Tikhonova (Tue Nov 13 2001 - 10:23:37 CST)
- AMBER 6 on Linux - help C. Singer (Tue Nov 13 2001 - 11:26:26 CST)
- mm_pbsa on single structure Raik Grunberg (Wed Nov 14 2001 - 08:45:38 CST)
- parameters for 5'-phosphate GUA Linjing Yang (Wed Nov 14 2001 - 14:22:47 CST)
- An Amber question Fabio Schoen (Thu Nov 15 2001 - 02:11:06 CST)
- pyridoxal phosphate parameters Andrea Bernini (Thu Nov 15 2001 - 03:43:33 CST)
- RMS matrix with CARNAL Margit Mollhoff (Fri Nov 16 2001 - 13:09:22 CST)
- What do the exit codes mean? Andrew Hoofnagle (Fri Nov 16 2001 - 17:09:58 CST)
- fatal error during equilibration of solvated system Amesh Patel (Mon Nov 19 2001 - 08:31:39 CST)
- mm_pbsa wentaofu (Mon Nov 19 2001 - 17:32:14 CST)
- GIBBS on Cray Alexander Issanin (Tue Nov 20 2001 - 01:24:31 CST)
- DNA force field Marcela Madrid (Tue Nov 20 2001 - 15:57:59 CST)
- supercritical water Jerry wu (Tue Nov 20 2001 - 20:28:46 CST)
- RMS calculations Nikolai Smolin (Wed Nov 21 2001 - 07:34:54 CST)
- Linux 2.2.19 Compil. Amber 4.1 with gcc 2.95.4 Fabrice YERLY (Wed Nov 21 2001 - 10:18:59 CST)
- Re: Gaussian to Amber David Case (Wed Nov 21 2001 - 12:39:43 CST)
- solvatebox Jerry wu (Wed Nov 21 2001 - 23:40:24 CST)
- no. of processors decrease Hungie Hungie (Thu Nov 22 2001 - 07:25:10 CST)
- Amber & F90 Pricl Sabrina (Fri Nov 23 2001 - 07:22:20 CST)
- Methane in water box FEP Sophia Kondratova (Fri Nov 23 2001 - 13:33:25 CST)
- C8-methyl-guanine Sue Heavner (Sun Nov 25 2001 - 11:58:51 CST)
- parallel gibbs Sophia Kondratova (Mon Nov 26 2001 - 08:02:59 CST)
- TIP4P L. Renee Olano (Mon Nov 26 2001 - 08:59:53 CST)
- plotting MD results for DNA Jake Isaacs (Tue Nov 27 2001 - 11:56:00 CST)
- (no subject) hathaimard pongkasem (Tue Nov 27 2001 - 19:40:33 CST)
- benchmarks Giulio Rastelli (Wed Nov 28 2001 - 09:41:33 CST)
- General install questions Paul A Wilson (Wed Nov 28 2001 - 11:48:06 CST)
- protonate database Jerry Greenberg (Wed Nov 28 2001 - 12:08:19 CST)
- MPI version of Gibbs ramon kleber da rocha (Mon Dec 03 2001 - 11:18:04 CST)
- the molecule rotates during the MD run Soonmin Jang (Tue Dec 04 2001 - 02:46:42 CST)
- Informations Paolo Daniele (Wed Dec 05 2001 - 09:54:24 CST)
- Problems with analin Irina Tikhonova (Wed Dec 05 2001 - 12:50:43 CST)
- Amber6 on AMD Athlon Peter Varnai (Thu Dec 06 2001 - 08:06:47 CST)
- MD of DNA Marcela Madrid (Thu Dec 06 2001 - 14:38:04 CST)
- Re: converting some files Lepsa (Fri Dec 07 2001 - 05:36:22 CST)
- amber6 in SGI Origin 2000 Marcela Madrid (Fri Dec 07 2001 - 15:15:56 CST)
- about ion-amino group non-bonded distance thenmalar rathinavelan (Fri Dec 07 2001 - 23:30:00 CST)
- secondary structure Nikolai Smolin (Mon Dec 10 2001 - 12:20:34 CST)
- NRUN in AMBER 6 Jithesh P.V. (Tue Dec 11 2001 - 00:27:07 CST)
- (no subject) Fumihito Mohri (Tue Dec 11 2001 - 00:34:09 CST)
- software to build molecules Marcela Madrid (Tue Dec 11 2001 - 10:17:30 CST)
- problem processing stripped RST/CRD files Michael G Cooney (Tue Dec 11 2001 - 10:25:20 CST)
- Amber for SP asit_at_frontierdomain.com (Tue Dec 11 2001 - 21:54:48 CST)
- (no subject) Thijs Beuming (Wed Dec 12 2001 - 07:39:57 CST)
- program req ponmalai kolandaivel (Wed Dec 12 2001 - 07:52:08 CST)
- Help with new residue Penny Govender (Fri Dec 14 2001 - 01:15:33 CST)
- sander_classic NPAIRS limit Andrea Bernini (Fri Dec 14 2001 - 03:12:56 CST)
- problem in Leap Walker, Jerrylaine (Fri Dec 14 2001 - 08:51:03 CST)
- quasih dkon_at_email.arizona.edu (Sun Dec 16 2001 - 19:50:44 CST)
- nmode analysis Ms. Parul Kalra (Mon Dec 17 2001 - 00:30:11 CST)
- (no subject) Wenguang Zhu (Mon Dec 17 2001 - 22:13:32 CST)
- leap compile on alpha linux Wenguang Zhu (Mon Dec 17 2001 - 22:17:09 CST)
- floating overflow in alpha Redhat 7.1 Wenguang Zhu (Tue Dec 18 2001 - 03:16:25 CST)
- idsx0 parameter Sophia Kondratova (Tue Dec 18 2001 - 12:23:15 CST)
- quasih again dkon_at_email.arizona.edu (Tue Dec 18 2001 - 13:30:05 CST)
- diffusion Raja Swaminathan (Wed Dec 19 2001 - 03:15:56 CST)
- Re: dG of wild type/mutant Lepsa (Wed Dec 19 2001 - 08:43:25 CST)
- Cl and H-bonding M ESTA Laurent (Wed Dec 19 2001 - 11:42:48 CST)
- xleap for windows 98? Marcela Madrid (Wed Dec 19 2001 - 19:14:47 CST)
- File format convert yu kaneko (Thu Dec 20 2001 - 06:19:01 CST)
- C-terminal amide Romina Oliva (Thu Dec 20 2001 - 11:40:36 CST)
- TOPOLOGY FILE PROCESSING Carles Ferrer (Thu Dec 20 2001 - 12:01:04 CST)
- how to create a bond Marcela Madrid (Thu Dec 20 2001 - 13:15:36 CST)
- list filter jim caldwell (Thu Dec 20 2001 - 14:12:43 CST)
- Re: (fwd) amber mail account (Thu Dec 20 2001 - 14:36:43 CST)
- Re: Cl and H-bonding (fwd) amber mail account (Thu Dec 20 2001 - 14:36:58 CST)
- Re: how to create a bond (fwd) amber mail account (Thu Dec 20 2001 - 14:37:11 CST)
- Nitro group Lorenzo Gontrani (Fri Dec 21 2001 - 03:47:48 CST)
- Re: MM-PGBSA Question!! Lepsa (Sat Dec 22 2001 - 08:46:53 CST)
- ion analysis Raja Swaminathan (Wed Dec 26 2001 - 09:56:17 CST)
- About :ERROR TERMINATION DUE TO SHAKE OR TORCON sxzheng (Sun Dec 30 2001 - 21:24:17 CST)
Last message date: Sun Dec 30 2001 - 21:24:17 CST
Archived on: Thu May 05 2005 - 14:17:15 CDT
1217 messages sorted by: [ author ] [ date ] [ subject ]
About this archive
|
VU Home |
VUMC Home |
People Finder |
University Calendar
webmaster- modified on January 30, 2009 |