AMBER Archive (2000) - By DateMost recent messages
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About this archive
Starting: Mon Jan 03 2000 - 11:28:16 CST
Ending: Sat Dec 30 2000 - 23:44:00 CST
- Re: Problems on Alpha: Too slow Martin Cernohorsky (Mon Jan 03 2000 - 11:28:16 CST)
- Amber 6 - license agreement Peter M. Gannett (Tue Jan 04 2000 - 10:56:44 CST)
- Surface accessible area and hydrogen bonds Koca, Jaroslav (Tue Jan 04 2000 - 11:24:42 CST)
- AMBER 6 Bill Ross (Tue Jan 04 2000 - 13:46:01 CST)
- problem of translation - rotation Emmanuel.Giudice_at_ibpc.fr (Tue Jan 11 2000 - 08:19:31 CST)
- AMBER501 on linux Dr.Rajendra R. Joshi (Wed Jan 12 2000 - 06:43:00 CST)
- Problem with AMBER installation Jithesh P.V (Wed Jan 12 2000 - 07:13:16 CST)
- Re: Problem with AMBER installation David Case (Wed Jan 12 2000 - 16:39:21 CST)
- compiling leap on a linux box Frank Yan (Wed Jan 12 2000 - 23:03:51 CST)
- List of force field parameters_II François Yves Dupradeau (Thu Jan 13 2000 - 11:03:44 CST)
- Re: compiling leap on a linux box Frank Yan (Fri Jan 14 2000 - 01:10:57 CST)
- Amber on linux Dr.Rajendra R. Joshi (Fri Jan 14 2000 - 01:25:35 CST)
- Re: Amber on linux dek_at_cgl.ucsf.edu (Fri Jan 14 2000 - 01:41:48 CST)
- ewald and cutoff Frank Yan (Mon Jan 17 2000 - 21:54:07 CST)
- urgent sohail qamar (Tue Jan 18 2000 - 00:31:33 CST)
- make off file from minimized coordinate. Hyuk Soon Choi (Tue Jan 18 2000 - 19:31:24 CST)
- Re: make off file from minimized coordinate. Hyuk Soon Choi (Tue Jan 18 2000 - 23:14:14 CST)
- Re: amber problem dek_at_cgl.ucsf.edu (Wed Jan 19 2000 - 11:12:05 CST)
- amber parameters request Alexandre Gillet (Wed Jan 19 2000 - 13:37:34 CST)
- About periodic box & modification of sander(5.0) B (Wed Jan 19 2000 - 18:29:04 CST)
- amber problem Alexandre Gillet (Wed Jan 19 2000 - 19:28:31 CST)
- Re: ewald and cutoff darden (Thu Jan 20 2000 - 10:31:52 CST)
- adding counter ions Christopher Higgs (Fri Jan 21 2000 - 03:40:19 CST)
- (no subject) Christopher Higgs (Fri Jan 21 2000 - 06:44:28 CST)
- (no subject) Christopher Higgs (Fri Jan 21 2000 - 07:06:11 CST)
- content of amber output:mden Thomas C. Bishop (Fri Jan 21 2000 - 11:01:55 CST)
- carnal:TORSION phipsi BACKBONE error Thomas C. Bishop (Fri Jan 21 2000 - 12:16:11 CST)
- Re: Frank Yan (Sun Jan 23 2000 - 14:37:06 CST)
- DNA bending Anton Guliaev (Mon Jan 24 2000 - 18:52:28 CST)
- Program to convert CHARMM force field file to AMBER format Kazuki Shinoda (Tue Jan 25 2000 - 03:23:05 CST)
- SOS from Italy Giovanni Bottegoni (Tue Jan 25 2000 - 04:56:21 CST)
- non-aqueous solvent; ethanediol Marcela Madrid (Tue Jan 25 2000 - 08:37:57 CST)
- dimer Margaret Cheung (Tue Jan 25 2000 - 12:10:55 CST)
- Amber2curves Anton Guliaev (Tue Jan 25 2000 - 15:59:00 CST)
- imaging problem in moil-view Frank Yan (Tue Jan 25 2000 - 18:32:54 CST)
- Amber paramters Christopher Higgs (Wed Jan 26 2000 - 06:40:53 CST)
- 2parts ehanol, 1 part water Marcela Madrid (Wed Jan 26 2000 - 09:31:47 CST)
- parameters for a tetrazole Christopher Higgs (Wed Jan 26 2000 - 10:45:19 CST)
- message in minimisation Alexandre Gillet (Fri Jan 28 2000 - 13:13:59 CST)
- RESP question CRAIG ANTHONY MARHEF (Fri Jan 28 2000 - 14:24:42 CST)
- RE: RESP question Bayly, Chris (Fri Jan 28 2000 - 14:52:40 CST)
- thanks Alexandre Gillet (Fri Jan 28 2000 - 19:38:12 CST)
- Problem with Protonate Jithesh P.V (Sat Jan 29 2000 - 02:02:57 CST)
- 6.0 shipping status Bill Ross (Mon Jan 31 2000 - 14:49:37 CST)
- AMBER PC-linux/O2 SGI Fdo Danilo Gonzalez Nilo (Tue Feb 01 2000 - 14:20:33 CST)
- Re: AMBER PC-linux/O2 SGI Mark Forster (Wed Feb 02 2000 - 04:00:15 CST)
- VdW numbers in Amber Dow Hurst (Wed Feb 02 2000 - 11:27:15 CST)
- amber6 CD's Bill Ross (Wed Feb 02 2000 - 13:04:36 CST)
- GTP Parameters Kazuki Shinoda (Thu Feb 03 2000 - 05:33:12 CST)
- library entry for amidated c-terminus Jessica Rogers (Thu Feb 03 2000 - 15:55:45 CST)
- parallel computing of amber 6 Frank Yan (Thu Feb 03 2000 - 23:52:47 CST)
- AMBER 5.0 MPI and IBM RS6000 John Trent (Fri Feb 04 2000 - 12:05:36 CST)
- (no subject) Jithesh P.V (Fri Feb 04 2000 - 22:53:12 CST)
- AMBER 5.0 on IBM SP2! Dat H. Nguyen (Sat Feb 05 2000 - 16:40:29 CST)
- continue running Frank Yan (Sun Feb 06 2000 - 10:45:51 CST)
- amber 6 note Bill Ross (Mon Feb 07 2000 - 15:39:57 CST)
- Location of /doc directory? Marios Philippopoulos (Tue Feb 08 2000 - 10:40:03 CST)
- amber on alpha Tsun-Mei Chang (Tue Feb 08 2000 - 14:16:25 CST)
- questions about AMBER_SERVER Sylvie Derreumaux (Tue Feb 08 2000 - 19:21:38 CST)
- a question about compiling amber6 Frank Yan (Wed Feb 09 2000 - 01:02:07 CST)
- Re: Location of /doc directory? Frank Yan (Wed Feb 09 2000 - 01:09:20 CST)
- re: amber on alpha Chuck Schneider (Wed Feb 09 2000 - 07:19:45 CST)
- Re: a question about compiling amber6 (fwd) Nelson Teixeira Brito (Wed Feb 09 2000 - 10:07:34 CST)
- first Amber 6 bug-fixes and manual updates are now available.... David Case (Wed Feb 09 2000 - 18:51:26 CST)
- Compilation of AMBER 6.0 on Origin 2000 Marios Philippopoulos (Thu Feb 10 2000 - 10:00:03 CST)
- Re: Compilation of AMBER 6.0 on Origin 2000 Marios Philippopoulos (Thu Feb 10 2000 - 11:51:07 CST)
- OWFEG and other AMBER 6.0 manual issues CRAIG ANTHONY MARHEF (Fri Feb 11 2000 - 10:00:20 CST)
- Solute temp Andrew A Petersen (Fri Feb 11 2000 - 10:42:32 CST)
- Re: OWFEG and other AMBER 6.0 manual issues David Pearlman (Fri Feb 11 2000 - 10:42:42 CST)
- PME on cluster on linux Kouji Hayama (Fri Feb 11 2000 - 11:20:36 CST)
- Re: OWFEG and other AMBER 6.0 manual issues David Case (Fri Feb 11 2000 - 11:54:44 CST)
- Re: PME on cluster on linux Kouji Hayama (Fri Feb 11 2000 - 12:09:05 CST)
- unit Jin-Kee Hyun (Fri Feb 11 2000 - 13:09:13 CST)
- is leap compatible? Frank Yan (Fri Feb 11 2000 - 16:02:40 CST)
- Re: is leap compatible? jim caldwell (Fri Feb 11 2000 - 16:18:40 CST)
- Re: Is PME MPI-parallelized in v.6.0? Marios Philippopoulos (Tue Feb 15 2000 - 09:58:31 CST)
- compilation problem Krzysztof Murzyn (Tue Feb 15 2000 - 11:19:10 CST)
- AMBER6 on a CRAY SV1-B Didier Rognan (Wed Feb 16 2000 - 06:05:34 CST)
- Leap compilation sami jabir (Wed Feb 16 2000 - 07:44:44 CST)
- Re: Is PME MPI-parallelized in v.6.0? Marios Philippopoulos (Wed Feb 16 2000 - 16:10:26 CST)
- Missing opls_parm.dat Marios Philippopoulos (Thu Feb 17 2000 - 16:12:46 CST)
- LAM Mpi not efficient for sander ? Xavier Deupi (Fri Feb 18 2000 - 04:11:06 CST)
- compilation errors Giulio (Fri Feb 18 2000 - 04:46:31 CST)
- (no subject) Sylvie Derreumaux (Fri Feb 18 2000 - 04:51:50 CST)
- opls_parm.dat Marios Philippopoulos (Fri Feb 18 2000 - 14:21:34 CST)
- parallel sander Frank Yan (Fri Feb 18 2000 - 16:42:26 CST)
- Re: parallel sander Jianxin Guo (Sat Feb 19 2000 - 13:58:57 CST)
- Can I use heme prameters with param94 ? Kazuki Shinoda (Mon Feb 21 2000 - 05:42:29 CST)
- Merz-Kollman atomic radii for Cu and Fe Dmitry M. Medvedev (Tue Feb 22 2000 - 02:23:47 CST)
- AMBER PBC images Alexander Issanin (Tue Feb 22 2000 - 07:45:28 CST)
- Re: AMBER PBC images David Case (Tue Feb 22 2000 - 09:43:57 CST)
- Moilview and Quicktime movies CRAIG ANTHONY MARHEF (Tue Feb 22 2000 - 14:55:27 CST)
- SGI+MPICH Krzysztof Murzyn (Wed Feb 23 2000 - 11:12:06 CST)
- the topology file in mutant MM-PBSA calculation? Jianxin Guo (Wed Feb 23 2000 - 12:03:07 CST)
- MOIL-View and Quicktime Recap CRAIG ANTHONY MARHEF (Wed Feb 23 2000 - 12:22:42 CST)
- Amber 6.0 build under Solaris 2.6 Thomas A. Spraggins (Wed Feb 23 2000 - 12:31:28 CST)
- problem of compilation of roar-cp mao xiang (Thu Feb 24 2000 - 03:47:34 CST)
- Molecular Modelling example Ulrich Essmann (Thu Feb 24 2000 - 09:57:36 CST)
- nmode out of memory Frank Yan (Fri Feb 25 2000 - 00:41:48 CST)
- ATP parameters for MD simulation Mary Kurnikova (Fri Feb 25 2000 - 15:47:39 CST)
- Problems using IBELLY in AMBER6 Marios Philippopoulos (Mon Feb 28 2000 - 13:53:51 CST)
- Re: Problems using IBELLY in AMBER6 Marios Philippopoulos (Mon Feb 28 2000 - 17:24:22 CST)
- Please tell me calcium parameter Kouji Hayama (Mon Feb 28 2000 - 23:38:43 CST)
- Re: Problems using IBELLY in AMBER6 Marios Philippopoulos (Tue Feb 29 2000 - 09:43:04 CST)
- Re: Problems using IBELLY in AMBER6 Marios Philippopoulos (Tue Feb 29 2000 - 12:25:36 CST)
- parameter for mm_pbsa Frank Yan (Tue Feb 29 2000 - 18:39:44 CST)
- problems with MD user1 (Wed Mar 01 2000 - 08:27:10 CST)
- compile in linux Cui Guanglei (Wed Mar 01 2000 - 09:34:31 CST)
- Testing problems with SGI Irix 6.5.5! James M. Funaoka (Wed Mar 01 2000 - 11:41:26 CST)
- Re: compile in linux Cui Guanglei (Wed Mar 01 2000 - 14:51:39 CST)
- Issues with compiling AMBER6 (MPI) on Linux dek_at_nano.nmr.ucsf.edu (Wed Mar 01 2000 - 15:50:10 CST)
- Re: Issues with compiling AMBER6 (MPI) on Linux Guanglei Cui (Wed Mar 01 2000 - 21:03:51 CST)
- Compile problem Yanni Wang (Thu Mar 02 2000 - 05:34:52 CST)
- re Yanni Wang's compile problem Chuck Schneider (Thu Mar 02 2000 - 08:24:40 CST)
- compile on linux Guanglei Cui (Thu Mar 02 2000 - 21:11:59 CST)
- About PME neutralization B (Sun Mar 05 2000 - 20:42:19 CST)
- compilation of sander Giulio (Mon Mar 06 2000 - 06:08:35 CST)
- parallel problem ? Alexandre Gillet (Mon Mar 06 2000 - 12:41:20 CST)
- Harmonic restraints on distances in sander Marios Philippopoulos (Mon Mar 06 2000 - 14:23:40 CST)
- Re: Harmonic restraints on distances in sander Vickie Tsui (Mon Mar 06 2000 - 15:12:25 CST)
- Re: parallel problem ? Alexandre Gillet (Mon Mar 06 2000 - 16:30:56 CST)
- distance-dependent dielectric in nmode Frank Yan (Tue Mar 07 2000 - 12:55:36 CST)
- About "Nukit"! James M. Funaoka (Tue Mar 07 2000 - 14:07:44 CST)
- About "Nukit"! James M. Funaoka (Tue Mar 07 2000 - 14:07:44 CST)
- About "Nukit"! James M. Funaoka (Tue Mar 07 2000 - 14:07:44 CST)
- gibbs Giulio (Wed Mar 08 2000 - 03:17:31 CST)
- Re: gibbs Dr.Rajendra R. Joshi (Wed Mar 08 2000 - 03:38:02 CST)
- request Prem Raj Joseph (Wed Mar 08 2000 - 05:20:16 CST)
- Re: Harmonic restraints on distances in sander Andrea Bernini (Wed Mar 08 2000 - 10:37:09 CST)
- Re: Harmonic restraints on distances in sander Vickie Tsui (Wed Mar 08 2000 - 12:06:41 CST)
- Re: About PME neutralization darden (Wed Mar 08 2000 - 12:40:41 CST)
- Re: Harmonic restraints on distances in sander Marios Philippopoulos (Wed Mar 08 2000 - 13:13:12 CST)
- Re: Harmonic restraints on distances in sander Vickie Tsui (Wed Mar 08 2000 - 13:52:57 CST)
- H-bond angles CRAIG ANTHONY MARHEF (Wed Mar 08 2000 - 14:28:37 CST)
- Re: H-bond angles Cui Guanglei (Wed Mar 08 2000 - 14:56:29 CST)
- Ewald parameters Alexander Issanin (Thu Mar 09 2000 - 06:26:40 CST)
- IBELLY Marios Philippopoulos (Thu Mar 09 2000 - 11:06:06 CST)
- Re: IBELLY Jarrod Smith (Thu Mar 09 2000 - 12:07:13 CST)
- Re: IBELLY Marios Philippopoulos (Thu Mar 09 2000 - 12:09:49 CST)
- Re: IBELLY David Case (Thu Mar 09 2000 - 12:25:33 CST)
- Re: IBELLY Jarrod Smith (Thu Mar 09 2000 - 12:41:53 CST)
- Re: IBELLY Carlos Simmerling (Thu Mar 09 2000 - 12:43:44 CST)
- Re: Ewald parameters darden (Thu Mar 09 2000 - 13:28:30 CST)
- Re: IBELLY darden (Thu Mar 09 2000 - 13:46:41 CST)
- NRUN in input file David Bevan (Sun Mar 12 2000 - 14:36:03 CST)
- Re: NRUN in input file jim caldwell (Sun Mar 12 2000 - 18:47:19 CST)
- opls_parm.dat Elsa Sousa Henriques (Mon Mar 13 2000 - 09:34:23 CST)
- OpenMP parallelization in AMBER6 Marios Philippopoulos (Mon Mar 13 2000 - 13:30:41 CST)
- Re: OpenMP parallelization in AMBER6 Carlos Simmerling (Mon Mar 13 2000 - 14:04:44 CST)
- Re: OpenMP parallelization in AMBER6 Yong Duan (Mon Mar 13 2000 - 14:21:07 CST)
- problem with makeDIST_RST Lin Ivan (Tue Mar 14 2000 - 01:53:30 CST)
- nmode-error message bernd wellenzohn (Wed Mar 15 2000 - 04:42:12 CST)
- DHFR - MTX Eoin Galligan (Wed Mar 15 2000 - 09:17:45 CST)
- estimate entropy of dna using nmode Frank Yan (Thu Mar 16 2000 - 09:43:50 CST)
- Re: estimate entropy of dna using nmode David Case (Fri Mar 17 2000 - 10:21:15 CST)
- Re: estimate entropy of dna using nmode Bill Ross (Fri Mar 17 2000 - 12:05:39 CST)
- progesterone parameter Alexandre Gillet (Fri Mar 17 2000 - 16:07:03 CST)
- protein capping Francois Dupradeau (Fri Mar 17 2000 - 18:35:29 CST)
- Carnal NORM Pascal Bonnet (Mon Mar 20 2000 - 13:48:48 CST)
- Error with GB Jarrod Smith (Tue Mar 21 2000 - 12:33:26 CST)
- prep file Alexandre Gillet (Tue Mar 21 2000 - 16:45:09 CST)
- CARNAL Code crwatts_at_creighton.edu (Tue Mar 21 2000 - 20:25:17 CST)
- Re: perturbed topology file jim caldwell (Wed Mar 22 2000 - 10:24:23 CST)
- Re: perturbed topology file Bill Ross (Wed Mar 22 2000 - 11:07:51 CST)
- perturbed topology file Terreux Raphael (Wed Mar 22 2000 - 18:26:07 CST)
- a question regarding ISCHARGE=1 Wu Tzu Hsien (Wed Mar 22 2000 - 20:36:01 CST)
- Re: how to get unusual topology in leap Bill Ross (Thu Mar 23 2000 - 13:25:00 CST)
- Re: trouble with NTR=1 and NMROPT=1 Vickie Tsui (Sat Mar 25 2000 - 11:58:04 CST)
- problem in AMBER Mao Xiang (Sun Mar 26 2000 - 04:18:00 CST)
- problem in GIBBS Mao Xiang (Wed Mar 29 2000 - 01:54:11 CST)
- parametrization Cristina Dezi (Thu Mar 30 2000 - 02:06:56 CST)
- wcleap Nelson Teixeira Brito (Thu Mar 30 2000 - 04:07:38 CST)
- entropy estimation from harmonic analysis Ann Hermone (Thu Mar 30 2000 - 19:29:38 CST)
- Hi Mao Xiang (Thu Mar 30 2000 - 20:42:43 CST)
- Empty gap in the watbox at the beginning of MD Francois Vanelle (Fri Mar 31 2000 - 03:28:15 CST)
- 2 questions François Yves Dupradeau (Fri Mar 31 2000 - 08:58:01 CST)
- Re: wcleap Nelson Teixeira Brito (Mon Apr 03 2000 - 12:14:25 CDT)
- How to creat new force field parameter for Mg++? Minmin Wang (Tue Apr 04 2000 - 07:42:27 CDT)
- Re: Jarrod Smith (Tue Apr 04 2000 - 10:30:23 CDT)
- extract energies Mao Xiang (Tue Apr 04 2000 - 10:47:08 CDT)
- (no subject) jramon_at_husky.bq.ub.es (Tue Apr 04 2000 - 14:26:13 CDT)
- new residue in leap Bill Ross (Tue Apr 04 2000 - 16:13:09 CDT)
- error of allocation pair array Mao Xiang (Wed Apr 05 2000 - 02:39:04 CDT)
- Re: Empty gap in the watbox at the beginning of MD David Case (Wed Apr 05 2000 - 10:36:29 CDT)
- Force field Yanni Wang (Wed Apr 05 2000 - 13:19:17 CDT)
- Protein and Ligand in Leap David Bevan (Thu Apr 06 2000 - 10:56:51 CDT)
- units of force constant Yasuyuki Fujii (Thu Apr 06 2000 - 22:23:37 CDT)
- Paramters for sulfate and methanol Oliver Zerbe (Fri Apr 07 2000 - 07:21:03 CDT)
- entropy estimation of dna with car. Frank Yan (Tue Apr 11 2000 - 12:42:28 CDT)
- Re: LEaP question Elsa Sousa Henriques (Thu Apr 13 2000 - 10:06:09 CDT)
- gb/sa Cui Guanglei (Thu Apr 13 2000 - 10:17:32 CDT)
- resp fit Cui Guanglei (Thu Apr 13 2000 - 10:24:53 CDT)
- FIX: amber6 ptraj compile Michael Crowley (Thu Apr 13 2000 - 13:07:34 CDT)
- LEaP question Jose Ramon Blas (Thu Apr 13 2000 - 18:38:02 CDT)
- Sander: crash if nmropt=1. HELP!!!!!!! Enrico Morelli (Fri Apr 14 2000 - 05:02:54 CDT)
- Protophorphyrin IX CRAIG ANTHONY MARHEF (Fri Apr 14 2000 - 08:27:25 CDT)
- Re: Sander: crash if nmropt=1. HELP!!!!!!! David Konerding (Fri Apr 14 2000 - 09:44:28 CDT)
- Re: Sander: crash if nmropt=1. HELP!!!!!!! Jarrod Smith (Fri Apr 14 2000 - 10:59:05 CDT)
- Announcement of interest to your user group Prof. S. R. Gadre Faculty member (Mon Apr 17 2000 - 05:09:26 CDT)
- Pl. fwd to your users group Students of Dr. S.R. Gadre (Mon Apr 17 2000 - 07:32:18 CDT)
- NARI'2K - Novel Approaches in RNA Informatics Labo Lbit (Mon Apr 17 2000 - 08:22:03 CDT)
- H2PO4(1-) parameters Yasuyuki Fujii (Wed Apr 19 2000 - 03:03:43 CDT)
- Compilation of parallel sander on Origin 2000 mariang98 (Thu Apr 20 2000 - 13:20:12 CDT)
- Compressibility of water at 348 K mariang98 (Fri Apr 21 2000 - 15:54:09 CDT)
- linmin failure Frank Yan (Tue Apr 25 2000 - 12:10:42 CDT)
- igb=1 and atom ordering Jarrod Smith (Tue Apr 25 2000 - 17:54:55 CDT)
- NADH FF parameters Osmar Norberto de Souza (Wed Apr 26 2000 - 06:48:22 CDT)
- Decreasing PE during MD Peter Gannett (Wed Apr 26 2000 - 09:25:00 CDT)
- Re: Decreasing PE during MD Thomas Cheatham (Wed Apr 26 2000 - 11:49:16 CDT)
- parameter for azido (-N=N(+)=N(-)) Minmin Wang (Wed Apr 26 2000 - 15:11:43 CDT)
- ibelly in nmode Frank Yan (Wed Apr 26 2000 - 15:54:14 CDT)
- Help Victor Quan Pham (Wed Apr 26 2000 - 22:27:47 CDT)
- MD-problem bernd wellenzohn (Thu Apr 27 2000 - 03:38:22 CDT)
- anions of NAB's Dayle Smith (Mon May 01 2000 - 11:17:11 CDT)
- Baic MD simulation Victor Pham (Tue May 02 2000 - 18:02:44 CDT)
- transition metal ions parameters Francesca Mocci (Thu May 04 2000 - 09:46:45 CDT)
- Side chain mobility Aleksandras Gutmanas (Thu May 04 2000 - 10:28:13 CDT)
- H+ parameters Pascal Bonnet (Thu May 04 2000 - 20:56:21 CDT)
- pressureS Victor Pham (Fri May 05 2000 - 12:57:24 CDT)
- problems in sander devi rvel (Sun May 07 2000 - 02:53:52 CDT)
- Re: problems in sander Bill Ross (Sun May 07 2000 - 03:54:57 CDT)
- Re: problems in sander Yong Duan (Sun May 07 2000 - 15:11:36 CDT)
- (no subject) Michal Otyepka (Mon May 08 2000 - 04:02:31 CDT)
- babel François Yves Dupradeau (Mon May 08 2000 - 06:06:51 CDT)
- Density value in sander output mariang98 (Mon May 08 2000 - 16:57:37 CDT)
- protonated adenine and cytosine? Alan Cheng (Mon May 08 2000 - 22:09:40 CDT)
- regarding edit option Prem Raj Joseph (Tue May 09 2000 - 11:19:30 CDT)
- 6-12 nonbonded function Karl N. Kirschner (Tue May 09 2000 - 13:17:45 CDT)
- AMBER 6 and residual dipolar coupling Fabio Arnesano (Wed May 10 2000 - 03:36:25 CDT)
- carnal script Peter Gannett (Wed May 10 2000 - 08:37:37 CDT)
- Re: AMBER 6 and residual dipolar coupling Vickie Tsui (Wed May 10 2000 - 12:04:11 CDT)
- Looking for a PREP input file Jose Ramon Blas (Thu May 11 2000 - 12:33:28 CDT)
- Re: a6 sander gb breaks on smallmol Jarrod Smith (Thu May 11 2000 - 17:42:03 CDT)
- pdb files Victor Pham (Thu May 11 2000 - 19:09:11 CDT)
- d-uridine Friedrich A. Gollmick (Fri May 12 2000 - 05:17:41 CDT)
- TAUP Surjit Dixit (Fri May 12 2000 - 14:18:35 CDT)
- question about imaging rathinavelan thenmalarchelvi (Sat May 13 2000 - 14:45:30 CDT)
- Amber6 documentation jim caldwell (Tue May 16 2000 - 13:37:49 CDT)
- question on expanding nphb Margaret Cheung (Tue May 16 2000 - 20:27:31 CDT)
- Hello Mao Xiang (Wed May 17 2000 - 03:13:42 CDT)
- Re: Hello David Case (Wed May 17 2000 - 09:43:47 CDT)
- [pavan@bnpi.com: 'Coordinate resetting in amber6'] David Case (Wed May 17 2000 - 17:08:18 CDT)
- Re: [pavan@bnpi.com: 'Coordinate resetting in amber6'] Michael Crowley (Wed May 17 2000 - 18:08:26 CDT)
- equilibration of CH2Cl2 box Jesús Gómez (Thu May 18 2000 - 07:30:32 CDT)
- gibbs in sodium Mao Xiang (Thu May 18 2000 - 21:06:48 CDT)
- AMBER installation kian kani (Fri May 19 2000 - 12:27:37 CDT)
- amber parameters Mao Xiang (Fri May 19 2000 - 23:07:56 CDT)
- 3-botton emulat Yunfeng Hu (Mon May 22 2000 - 15:10:23 CDT)
- Compile Problem ptraj with PGI compiler Kouji Hauyama (Mon May 22 2000 - 21:45:10 CDT)
- sander compile error with MPICH compiled by PGI compiler Kouji Hauyama (Tue May 23 2000 - 07:34:15 CDT)
- Re: Sander: crash if nmropt=1. HELP!!!!!!! David Konerding (Tue May 23 2000 - 12:33:20 CDT)
- Restraint and topology mismatch error Rebecca Perlow (Tue May 23 2000 - 13:58:07 CDT)
- Crosslink in Leap Jeffrey P. Jones (Tue May 23 2000 - 14:15:06 CDT)
- Re: Crosslink in Leap Bill Ross (Wed May 24 2000 - 00:28:37 CDT)
- Re: DOUBT IN PTRAJ DOCUMENTATION A.Madhumalar (Wed May 24 2000 - 02:05:12 CDT)
- Re: DOUBT IN AMBER5 PTRAJ DOCUMENTATION (fwd) A.Madhumalar (Wed May 24 2000 - 05:53:32 CDT)
- Re: Help with polynucleotide building David Case (Wed May 24 2000 - 17:53:24 CDT)
- dummy atom as anchor in gibbs ? Terreux Raphael (Thu May 25 2000 - 16:53:43 CDT)
- soft repulsion option Cristina Dezi (Fri May 26 2000 - 03:15:01 CDT)
- 4096wat running problem Kouji Hauyama (Fri May 26 2000 - 09:09:42 CDT)
- Re: 4096wat running problem David Konerding (Fri May 26 2000 - 10:02:18 CDT)
- Re: 4096wat running problem Kouji Hayama (Fri May 26 2000 - 10:36:50 CDT)
- Re: 4096wat running problem Michael Crowley (Fri May 26 2000 - 11:22:10 CDT)
- Periodic boundary condition Prem Raj Joseph (Fri May 26 2000 - 11:36:41 CDT)
- Re: Periodic boundary condition jim caldwell (Fri May 26 2000 - 12:28:50 CDT)
- Simulation of DNA Marcela Madrid (Fri May 26 2000 - 12:58:19 CDT)
- 4096wat runnning problem Kouji Hauyama (Sat May 27 2000 - 07:41:24 CDT)
- center of mass with gibbs ? Terreux Raphael (Mon May 29 2000 - 17:46:12 CDT)
- AMBER 6.0 on parallel IBM SP system. Gerard GIL (Tue May 30 2000 - 09:09:07 CDT)
- Shake and a new computer system R. M. Fesinmeyer (Tue May 30 2000 - 12:50:25 CDT)
- improvements to force field Marcela Madrid (Tue May 30 2000 - 15:02:35 CDT)
- What does this mean? Renxiao Wang (Tue May 30 2000 - 18:46:03 CDT)
- ROAR-CP calculation on axp machines HIRAO (Tue May 30 2000 - 21:23:02 CDT)
- energy decomposition along MD trajectory Michal Otyepka (Wed May 31 2000 - 07:59:36 CDT)
- md toolchest Cui Guanglei (Wed May 31 2000 - 12:16:32 CDT)
- inquire about the cost of the license. Margaret Cheung (Wed May 31 2000 - 12:54:13 CDT)
- rms in rdparm Frank Yan (Wed May 31 2000 - 17:38:51 CDT)
- Visualization Garrett W Grahek (Wed May 31 2000 - 18:50:57 CDT)
- RESP Pascal Bonnet (Wed May 31 2000 - 21:27:34 CDT)
- Compiling AMBER in LINUX Antonio Díaz (Thu Jun 01 2000 - 06:40:47 CDT)
- formamides r.wigglesworth_at_ic.ac.uk (Thu Jun 01 2000 - 08:34:05 CDT)
- Re: Visualization David Case (Thu Jun 01 2000 - 08:54:39 CDT)
- Re: Compiling AMBER in LINUX Kouji Hayama (Thu Jun 01 2000 - 09:24:51 CDT)
- amber on alpha Xiaolin Allen Zhao (Fri Jun 02 2000 - 01:00:00 CDT)
- Benzamidine Osmar Norberto de Souza (Fri Jun 02 2000 - 06:37:50 CDT)
- Re: amber on alpha jim caldwell (Fri Jun 02 2000 - 14:08:56 CDT)
- how to set up free energy perturbation Mao Xiang (Sun Jun 04 2000 - 04:23:40 CDT)
- ANTECHAMBER Graham Russel (Tue Jun 06 2000 - 08:57:31 CDT)
- Wee Problems. Mark Markson (Tue Jun 06 2000 - 09:10:35 CDT)
- Re: Compiling Amber on win 2k Nelson Teixeira Brito (Wed Jun 07 2000 - 06:25:26 CDT)
- Compiling Amber on win 2k Martin Cernohorsky (Wed Jun 07 2000 - 06:46:54 CDT)
- Re: Compiling Amber on win 2k David Konerding (Wed Jun 07 2000 - 09:20:40 CDT)
- mdtoolchest Cui Guanglei (Wed Jun 07 2000 - 10:54:34 CDT)
- xleap problem Dmitry M. Medvedev (Thu Jun 08 2000 - 00:07:21 CDT)
- trajectory file Dmitry M. Medvedev (Thu Jun 08 2000 - 00:09:51 CDT)
- Charge Neutrality using PME Fabrice YERLY (Thu Jun 08 2000 - 02:02:22 CDT)
- xleap EOIN GALLIGAN (Fri Jun 09 2000 - 11:51:07 CDT)
- Re: xleap Bill Ross (Fri Jun 09 2000 - 13:28:28 CDT)
- GB parameters Craig Marhefka (Sun Jun 11 2000 - 17:59:18 CDT)
- ChemInt2000 - July 1 Early Registration Deadine Steve Heller (Mon Jun 12 2000 - 08:53:18 CDT)
- Re: GB parameters Vickie Tsui (Mon Jun 12 2000 - 12:05:46 CDT)
- Polarizabilities Olga Carvalho (Tue Jun 13 2000 - 06:19:01 CDT)
- bond order EOIN GALLIGAN (Tue Jun 13 2000 - 10:44:09 CDT)
- Re: amber on AMDs cluster Lawrence Tsang (Tue Jun 13 2000 - 10:55:47 CDT)
- Re: amber on AMDs cluster Nelson Teixeira Brito (Tue Jun 13 2000 - 13:25:19 CDT)
- Re: Polarizabilities jim caldwell (Tue Jun 13 2000 - 15:09:46 CDT)
- amber on AMDs cluster Xavier Deupi (Wed Jun 14 2000 - 07:35:41 CDT)
- Re: amber on AMDs cluster Cezary Czaplewski (Wed Jun 14 2000 - 11:33:39 CDT)
- Re: amber on AMDs cluster David Konerding (Wed Jun 14 2000 - 12:18:16 CDT)
- A thought in the mind P.Kangueane (Wed Jun 14 2000 - 13:47:55 CDT)
- amber ramon kleber da rocha (Wed Jun 14 2000 - 15:05:00 CDT)
- (no subject) Peter Gannett (Wed Jun 14 2000 - 21:39:18 CDT)
- Re: amber on AMDs cluster Cezary Czaplewski (Wed Jun 14 2000 - 21:45:02 CDT)
- (no subject) David Konerding (Wed Jun 14 2000 - 22:38:38 CDT)
- AMBER performance with g77 David Konerding (Wed Jun 14 2000 - 22:53:54 CDT)
- bond order Eoin Galligan (Thu Jun 15 2000 - 08:32:28 CDT)
- Ibelly and sander6 Craig Marhefka (Thu Jun 15 2000 - 14:58:32 CDT)
- CMC Craig Marhefka (Thu Jun 15 2000 - 15:01:02 CDT)
- SGI Grzegorz Jezierski (Fri Jun 16 2000 - 09:44:32 CDT)
- ISTAR2 Craig A Marhefka (Fri Jun 16 2000 - 13:27:07 CDT)
- pairlist Laila Abou Zeid (Sun Jun 18 2000 - 00:08:36 CDT)
- Re: pairlist jim caldwell (Sun Jun 18 2000 - 09:19:43 CDT)
- density decreases Michal Otyepka (Mon Jun 19 2000 - 03:30:32 CDT)
- AMBER6.0 on t3e Grzegorz Jezierski (Mon Jun 19 2000 - 09:52:46 CDT)
- Attachment Grzegorz Jezierski (Mon Jun 19 2000 - 09:53:50 CDT)
- error message in compiling amber6 Margaret Cheung (Wed Jun 21 2000 - 15:05:06 CDT)
- error message in compiling amber6 Margaret Cheung (Wed Jun 21 2000 - 15:05:06 CDT)
- error message in compiling amber6 Margaret Cheung (Wed Jun 21 2000 - 15:05:06 CDT)
- error message in compiling amber6 Margaret Cheung (Wed Jun 21 2000 - 15:05:06 CDT)
- error message in compiling amber6 Margaret Cheung (Wed Jun 21 2000 - 15:05:06 CDT)
- error message in compiling amber6 Margaret Cheung (Wed Jun 21 2000 - 15:05:06 CDT)
- error message in compiling amber6 Margaret Cheung (Wed Jun 21 2000 - 15:05:06 CDT)
- reading back into leap Marcela Madrid (Wed Jun 21 2000 - 15:50:00 CDT)
- reading back into leap Marcela Madrid (Wed Jun 21 2000 - 15:50:00 CDT)
- reading back into leap Marcela Madrid (Wed Jun 21 2000 - 15:50:00 CDT)
- reading back into leap Marcela Madrid (Wed Jun 21 2000 - 15:50:00 CDT)
- reading back into leap Marcela Madrid (Wed Jun 21 2000 - 15:50:00 CDT)
- reading back into leap Marcela Madrid (Wed Jun 21 2000 - 15:50:00 CDT)
- question in compiling amber6 on linux. Margaret Cheung (Wed Jun 21 2000 - 18:27:36 CDT)
- question in compiling amber6 on linux. Margaret Cheung (Wed Jun 21 2000 - 18:27:36 CDT)
- question in compiling amber6 on linux. Margaret Cheung (Wed Jun 21 2000 - 18:27:36 CDT)
- Re: CMC Jed Pitera (Thu Jun 22 2000 - 03:47:45 CDT)
- force constants Roberta Spadaccini (Thu Jun 22 2000 - 10:49:04 CDT)
- site mutation with xLeap Minmin Wang (Thu Jun 22 2000 - 11:04:46 CDT)
- Compiling AMBER6 under OCTANE DUO Miguel Angel (Fri Jun 23 2000 - 10:45:25 CDT)
- Re: Compiling AMBER6 under OCTANE DUO Nelson Teixeira Brito (Fri Jun 23 2000 - 11:18:13 CDT)
- modify topology file Frank Yan (Fri Jun 23 2000 - 13:57:48 CDT)
- Re: modify topology file Bill Ross (Fri Jun 23 2000 - 18:51:53 CDT)
- Re: how to retrieve the average structure of MD? Ivan Bea i Bobet (Fri Jun 23 2000 - 18:58:03 CDT)
- cion & LINMIN failure takahas_at_bio.nagoya-u.ac.jp (Sat Jun 24 2000 - 10:38:24 CDT)
- Re: cion & LINMIN failure takahas_at_bio.nagoya-u.ac.jp (Mon Jun 26 2000 - 04:24:01 CDT)
- Re: cion & LINMIN failure takahas_at_bio.nagoya-u.ac.jp (Mon Jun 26 2000 - 08:52:21 CDT)
- partially solvate the protein Minmin Wang (Mon Jun 26 2000 - 15:10:32 CDT)
- Re: partially solvate the protein Minmin Wang (Mon Jun 26 2000 - 16:37:21 CDT)
- linmin failure? Margaret Cheung (Mon Jun 26 2000 - 16:55:32 CDT)
- Coord. reset. not accomp.: Set-up vs. Soft/Hardware issue? Robert Matthew Fesinmeyer (Mon Jun 26 2000 - 17:11:29 CDT)
- Re: Coord. reset. not accomp.: Set-up vs. Soft/Hardware issue? David Konerding (Mon Jun 26 2000 - 17:55:05 CDT)
- ambpdb problem r.wigglesworth_at_ic.ac.uk (Tue Jun 27 2000 - 01:55:44 CDT)
- query Anat Zvi (Tue Jun 27 2000 - 09:20:22 CDT)
- help! simulation of membrane protein Pornthep Sompornpisut (Tue Jun 27 2000 - 17:09:49 CDT)
- NAN Laila Abou Zeid (Wed Jun 28 2000 - 05:14:39 CDT)
- NAN ( Laila Abou Zeid (Wed Jun 28 2000 - 05:33:32 CDT)
- unable to extract trajectory of MD simulation with sander_classic Minmin Wang (Wed Jun 28 2000 - 09:37:27 CDT)
- Re: I can't run sander6 with lam-mpi : is mdread.f wrong ?? David Konerding (Wed Jun 28 2000 - 09:57:02 CDT)
- Re: unable to extract trajectory of MD simulation with sander_classic David Konerding (Wed Jun 28 2000 - 10:57:48 CDT)
- Re: I can't run sander6 with lam-mpi : is mdread.f wrong ?? Thomas A. Spraggins (Wed Jun 28 2000 - 11:10:14 CDT)
- I can't run sander6 with lam-mpi : is mdread.f wrong ?? Xavier Deupi (Thu Jun 29 2000 - 04:41:57 CDT)
- restart MD labouzeid (Thu Jun 29 2000 - 07:44:44 CDT)
- SHAKE/TORCON failure in Gibbs K. Seshadri (Thu Jun 29 2000 - 08:54:22 CDT)
- error compiling Pascal Bonnet (Thu Jun 29 2000 - 10:38:41 CDT)
- MD error Christine Miyasaki (Thu Jun 29 2000 - 15:51:17 CDT)
- coordinate averaging Prem Raj Joseph (Thu Jun 29 2000 - 17:18:13 CDT)
- xmgr Yunfeng Hu (Thu Jun 29 2000 - 17:45:52 CDT)
- error in restrt file Marcela Madrid (Fri Jun 30 2000 - 08:47:38 CDT)
- scaling on ibm sp power3 machine Frank Yan (Fri Jun 30 2000 - 18:50:33 CDT)
- problem with rdparm Prem Raj Joseph (Fri Jun 30 2000 - 22:10:03 CDT)
- sander minimization Yunfeng Hu (Sat Jul 01 2000 - 16:00:50 CDT)
- query Ariel (Sun Jul 02 2000 - 11:06:16 CDT)
- basis set in RESP calculations mireia (Mon Jul 03 2000 - 10:08:10 CDT)
- NMR restrained MD bernd wellenzohn (Tue Jul 04 2000 - 04:43:56 CDT)
- Parameters for pTyr Joseph Nachman (Wed Jul 05 2000 - 15:14:07 CDT)
- calsium parameter Kouji Hayama (Thu Jul 06 2000 - 01:41:15 CDT)
- question of running sander on sp2 Frank Yan (Thu Jul 06 2000 - 18:06:26 CDT)
- Re. calcium parameter Kouji Hayama (Fri Jul 07 2000 - 01:47:34 CDT)
- read coordinates file Frank Yan (Fri Jul 07 2000 - 10:59:31 CDT)
- adding atom types in leap hermone_at_pegasus.arc.nasa.gov (Fri Jul 07 2000 - 12:40:33 CDT)
- Angle parameters Jane-Jane Ou (Fri Jul 07 2000 - 14:10:52 CDT)
- calcium parameter Kouji Hayama (Tue Jul 11 2000 - 00:46:08 CDT)
- Does AMBER include effects from pH? Lawrence Tsang (Tue Jul 11 2000 - 02:24:09 CDT)
- (no subject) Garrett W Grahek (Tue Jul 11 2000 - 09:54:04 CDT)
- Re: your mail Yong Duan (Tue Jul 11 2000 - 11:25:12 CDT)
- LINMIN Laila Abou Zeid (Tue Jul 11 2000 - 14:17:11 CDT)
- Re: Does AMBER include effects from pH? Kouji Hayama (Wed Jul 12 2000 - 02:40:23 CDT)
- AMBER 6 crash Oliver Zerbe (Wed Jul 12 2000 - 07:22:23 CDT)
- mdextract hermone_at_pegasus.arc.nasa.gov (Wed Jul 12 2000 - 12:55:34 CDT)
- constrained MD Minmin Wang (Wed Jul 12 2000 - 13:28:30 CDT)
- Coordinates in Leap David Bevan (Wed Jul 12 2000 - 14:53:26 CDT)
- Question on DNA Simulation Using PME! Dat H. Nguyen (Wed Jul 12 2000 - 19:36:55 CDT)
- carnal Prem Raj Joseph (Thu Jul 13 2000 - 12:04:30 CDT)
- basic minimisation EOIN GALLIGAN (Fri Jul 14 2000 - 10:47:13 CDT)
- Re: basic minimisation jim caldwell (Fri Jul 14 2000 - 11:28:45 CDT)
- parameters for GFP cro Riccardo Nifosi (Fri Jul 14 2000 - 11:38:44 CDT)
- re-assign velocity Ting Wang (Tue Jul 18 2000 - 08:47:29 CDT)
- topology/coordinate files Carlos Perez (Tue Jul 18 2000 - 16:03:42 CDT)
- Porphyrin/porphycene Oscar Rey (Wed Jul 19 2000 - 04:17:07 CDT)
- Surface areas Pauly M (Wed Jul 19 2000 - 08:27:24 CDT)
- xleap problem Thomas A. Spraggins (Wed Jul 19 2000 - 18:39:32 CDT)
- Amber on a Linux box Poda, Gennady (Thu Jul 20 2000 - 15:19:55 CDT)
- AMBER: Linux box Gennady Poda (Thu Jul 20 2000 - 15:25:40 CDT)
- MM-PB/SA with MSI-Delphi Johannes Zuegg (Thu Jul 20 2000 - 20:50:14 CDT)
- unsuscribe Enric Cervello i Merigo (Fri Jul 21 2000 - 14:48:39 CDT)
- Another xleap problem? Thomas A. Spraggins (Mon Jul 24 2000 - 09:27:58 CDT)
- unsuscribe Jesús Gómez (Mon Jul 24 2000 - 09:53:57 CDT)
- Profec wentaofu (Mon Jul 24 2000 - 17:37:17 CDT)
- amber6 and redhat 6.2 Margaret Cheung (Tue Jul 25 2000 - 12:37:12 CDT)
- Re: amber6 and redhat 6.2 David Konerding (Tue Jul 25 2000 - 13:12:22 CDT)
- Re: amber6 and redhat 6.2 David Case (Tue Jul 25 2000 - 13:37:37 CDT)
- Re: amber6 and redhat 6.2 Margaret Cheung (Tue Jul 25 2000 - 13:41:02 CDT)
- Re: amber6 and redhat 6.2 Margaret Cheung (Tue Jul 25 2000 - 13:47:11 CDT)
- Re: amber6 and redhat 6.2 ( Margaret Cheung (Tue Jul 25 2000 - 13:48:21 CDT)
- Re: amber6 and redhat 6.2 (thank you all) Margaret Cheung (Tue Jul 25 2000 - 14:25:50 CDT)
- What can I get from docking? Lawrence Tsang (Tue Jul 25 2000 - 16:20:09 CDT)
- problem on launching xleap chinlin guo (Tue Jul 25 2000 - 19:52:33 CDT)
- Zinc potential? Hyuk Soon Choi (Thu Jul 27 2000 - 08:22:36 CDT)
- Periodic Boundary Condition Kouji Hayama (Mon Jul 31 2000 - 00:11:53 CDT)
- units Krzysztof Murzyn (Mon Jul 31 2000 - 07:06:29 CDT)
- Gibbs and PME simulation with DNA David Bosch (Mon Jul 31 2000 - 08:20:02 CDT)
- temperature and pressure control Marcela Madrid (Mon Jul 31 2000 - 09:35:16 CDT)
- Re: temperature and pressure control jim caldwell (Mon Jul 31 2000 - 11:42:00 CDT)
- Ca2+ parameters Jarrod Smith (Tue Aug 01 2000 - 18:44:44 CDT)
- Re: Ca2+ parameters Kouji Hayama (Wed Aug 02 2000 - 01:20:06 CDT)
- animation of normal modes Scott Boesch (Thu Aug 03 2000 - 15:26:34 CDT)
- Re: How to make pdb"q" files easily? Bill Ross (Fri Aug 04 2000 - 12:33:58 CDT)
- Profec wentaofu (Fri Aug 04 2000 - 13:17:56 CDT)
- a question about the setting to contrain kinetic energy Margaret Cheung (Sun Aug 06 2000 - 01:04:43 CDT)
- ChemInt2000 hotel rooms Steve Heller (Sun Aug 06 2000 - 16:59:49 CDT)
- isoxazole force constants Eric Hu (Mon Aug 07 2000 - 14:30:11 CDT)
- Did MM/PBSA runs on linux also? Lawrence Tsang (Mon Aug 07 2000 - 23:42:39 CDT)
- Where to download mm5_car1.Z for example1 of mmpbsa? Lawrence Tsang (Mon Aug 07 2000 - 23:59:34 CDT)
- Ph.D. thesis in Strasbourg-France Didier Rognan (Tue Aug 08 2000 - 04:11:10 CDT)
- Myrinet + Beowulf for AMBER? Jarrod Smith (Tue Aug 08 2000 - 09:19:54 CDT)
- urgent sohail qamar (Tue Aug 08 2000 - 09:21:16 CDT)
- charges for new compound Marcela Madrid (Tue Aug 08 2000 - 10:03:54 CDT)
- Re: Amber6 on a ES40/4CPUs jim caldwell (Tue Aug 08 2000 - 10:20:49 CDT)
- RE: Myrinet + Beowulf for AMBER? Kouji Hayama (Wed Aug 09 2000 - 00:11:41 CDT)
- Problem with PME test Jithesh P.V (Thu Aug 10 2000 - 07:01:55 CDT)
- new book Boyd (Thu Aug 10 2000 - 13:00:13 CDT)
- MM-PBSA trajectory file samantha hughes (Fri Aug 11 2000 - 09:28:48 CDT)
- reassigning temp. during MD Raik Gruenberg (Fri Aug 11 2000 - 10:03:06 CDT)
- Re: Problem with PME test Jithesh P.V (Fri Aug 11 2000 - 11:04:02 CDT)
- Re: Problem with PME test Michael Crowley (Fri Aug 11 2000 - 14:02:56 CDT)
- compiling AMBER5.0 on Beowolf cluster Andrew Petersen (Fri Aug 11 2000 - 15:39:43 CDT)
- analysis tool for water and stacking? Frank Yan (Fri Aug 11 2000 - 17:40:32 CDT)
- Re: compiling AMBER5.0 on Beowolf cluster Juergen Suehnel (Sat Aug 12 2000 - 05:52:27 CDT)
- MACHINE file for DEC Alpha! Jennifer Bui (Tue Aug 15 2000 - 02:40:55 CDT)
- Re: MACHINE file for DEC Alpha! Thomas A. Spraggins (Tue Aug 15 2000 - 06:59:51 CDT)
- Re: MACHINE file for DEC Alpha! jim caldwell (Tue Aug 15 2000 - 09:30:21 CDT)
- PME with charged system Marcela Madrid (Tue Aug 15 2000 - 09:31:04 CDT)
- need help nurindah wulandari (Tue Aug 15 2000 - 09:43:48 CDT)
- Re: two questions: (1)dihedral, (2) movies Carlos Simmerling (Tue Aug 15 2000 - 10:15:45 CDT)
- Re: two questions: (1)dihedral, (2) movies Frank Yan (Tue Aug 15 2000 - 10:47:59 CDT)
- Re: two questions: (1)dihedral, (2) movies samantha hughes (Tue Aug 15 2000 - 11:12:41 CDT)
- vdw parameter Todd J. Minehardt (Tue Aug 15 2000 - 11:44:50 CDT)
- Annealing with rigid body Pornthep Sompornpisut (Tue Aug 15 2000 - 14:29:34 CDT)
- Re: PME with charged system David Small (Tue Aug 15 2000 - 21:17:45 CDT)
- AMBER installation Dayle Smith (Wed Aug 16 2000 - 13:55:27 CDT)
- NAD parameters Raphael Buencamino (Wed Aug 16 2000 - 19:46:37 CDT)
- cobalt DOIZI Denis 98775 (Thu Aug 17 2000 - 02:31:43 CDT)
- dielectric constant David Small (Thu Aug 17 2000 - 14:10:25 CDT)
- AMBER 5.01 on Linux Ramon Garduno (Fri Aug 18 2000 - 13:53:56 CDT)
- Re: PME with charged system darden (Fri Aug 18 2000 - 23:52:26 CDT)
- Re: dielectric constant Soaring Bear (Sat Aug 19 2000 - 10:03:43 CDT)
- Oct box and ptraj Robert Matthew Fesinmeyer (Mon Aug 21 2000 - 13:12:50 CDT)
- Re: reassigning temp. during MD Robert Matthew Fesinmeyer (Mon Aug 21 2000 - 17:20:53 CDT)
- processing of carnal output Michal Otyepka (Tue Aug 22 2000 - 05:23:06 CDT)
- how to justify the size of a periodic box. Margaret Cheung (Tue Aug 22 2000 - 18:47:41 CDT)
- MDEN output file format Fabrice YERLY (Wed Aug 23 2000 - 05:14:01 CDT)
- sysdir Nelson Teixeira Brito (Wed Aug 23 2000 - 10:20:00 CDT)
- Re: reassigning temp. during MD Carlos Simmerling (Wed Aug 23 2000 - 11:41:17 CDT)
- Re: sysdir jim caldwell (Wed Aug 23 2000 - 12:30:22 CDT)
- Re: sysdir Chuck Schneider (Wed Aug 23 2000 - 13:01:07 CDT)
- shared mem David Small (Wed Aug 23 2000 - 17:03:40 CDT)
- Re: Periodic Boundary Condition Kouji Hayama (Thu Aug 24 2000 - 02:09:40 CDT)
- Re: sysdir Nelson Teixeira Brito (Thu Aug 24 2000 - 04:05:02 CDT)
- anal.in format J. Bryan Buckalew (Thu Aug 24 2000 - 10:52:21 CDT)
- Parm99 Jie Guo (Thu Aug 24 2000 - 11:03:21 CDT)
- Re: AMBER 5.01 on Linux Ramon Garduno (Thu Aug 24 2000 - 15:02:49 CDT)
- absoft and AMBER6 Jarrod Smith (Thu Aug 24 2000 - 21:33:00 CDT)
- minimization from the average structure of MD simulation Minmin Wang (Tue Aug 29 2000 - 11:25:01 CDT)
- Re: Questions on the definition of parameters jim caldwell (Tue Aug 29 2000 - 14:57:57 CDT)
- Brief courses on AMBER 6 Michael Cooney (Wed Aug 30 2000 - 10:54:37 CDT)
- Re: Brief courses on AMBER 6 David Case (Wed Aug 30 2000 - 11:48:16 CDT)
- Re: Brief courses on AMBER 6 Jarrod Smith (Wed Aug 30 2000 - 12:24:20 CDT)
- "Protonate" errors Michael Cooney (Wed Aug 30 2000 - 13:40:53 CDT)
- Benchmarking AMD CPUS Yongxing Liu (Thu Aug 31 2000 - 05:14:36 CDT)
- rdparm/ptraj Tuomo Laitinen (Thu Aug 31 2000 - 07:50:59 CDT)
- Re: rdparm/ptraj Thomas E. Cheatham, III (Thu Aug 31 2000 - 13:03:07 CDT)
- manganese ions Natasja Brooijmans (Thu Aug 31 2000 - 17:23:24 CDT)
- question about 2DRMSd made by rdparm. Margaret Cheung (Fri Sep 01 2000 - 05:34:47 CDT)
- Re: Brief courses on AMBER 6 Jarrod Smith (Fri Sep 01 2000 - 12:12:42 CDT)
- Can I create a prmtop file without unwanted H atoms? Margaret Cheung (Fri Sep 01 2000 - 19:48:20 CDT)
- NATOMS > 99999 for sander 6.0 Todd J. Minehardt (Mon Sep 04 2000 - 09:25:27 CDT)
- last message continued Todd J. Minehardt (Mon Sep 04 2000 - 09:27:52 CDT)
- ..and also getcor.f.... Todd J. Minehardt (Mon Sep 04 2000 - 09:42:52 CDT)
- DFT parital charges Riccardo Nifosi (Mon Sep 04 2000 - 09:47:24 CDT)
- NATOMS > 99999 David Konerding (Mon Sep 04 2000 - 11:03:55 CDT)
- Gibbs / Torcon problem Terreux Raphael (Mon Sep 04 2000 - 12:53:58 CDT)
- ambpdb input format Garrett W Grahek (Mon Sep 04 2000 - 15:58:29 CDT)
- Leap problems with Zn, DNA Michael Cooney (Tue Sep 05 2000 - 16:59:54 CDT)
- sander_pme.MC examples leila ayadi (Wed Sep 06 2000 - 09:13:05 CDT)
- RAdius of Gyration Dat H. Nguyen (Wed Sep 06 2000 - 15:05:50 CDT)
- Re: RAdius of Gyration Bill Ross (Wed Sep 06 2000 - 17:11:16 CDT)
- Calcium bonds schayg_at_puskin-a206.sote.hu (Thu Sep 07 2000 - 06:24:10 CDT)
- partial solvation EOIN GALLIGAN (Thu Sep 07 2000 - 09:53:10 CDT)
- Amber6 environment error kian kani (Thu Sep 07 2000 - 12:24:57 CDT)
- Re: Amber6 environment error Thomas A. Spraggins (Thu Sep 07 2000 - 13:24:07 CDT)
- Re: Calcium bonds Bill Ross (Thu Sep 07 2000 - 13:50:47 CDT)
- Re: Amber6 environment error schayg_at_puskin-a206.sote.hu (Thu Sep 07 2000 - 15:44:11 CDT)
- partial solvation EOIN GALLIGAN (Fri Sep 08 2000 - 05:56:30 CDT)
- radius of gyration Peter Gannett (Mon Sep 11 2000 - 12:24:10 CDT)
- Re: radius of gyration Bill Ross (Mon Sep 11 2000 - 14:41:00 CDT)
- NAMOT J. Bryan Buckalew (Mon Sep 11 2000 - 15:18:49 CDT)
- Machine file for SV1 Matthew Lee (Mon Sep 11 2000 - 16:23:52 CDT)
- Adding divalent metal ions to libraries Michael Cooney (Tue Sep 12 2000 - 16:31:06 CDT)
- Ewald bomb ? Terreux Raphael (Tue Sep 12 2000 - 17:51:01 CDT)
- compiling problems Paolo Dapporto (Wed Sep 13 2000 - 03:01:04 CDT)
- GB/SA question Andreas Svrcek-Seiler (Wed Sep 13 2000 - 09:47:11 CDT)
- Re: compiling problems Todd J. Minehardt (Wed Sep 13 2000 - 10:02:24 CDT)
- compile on ibm Todd J. Minehardt (Wed Sep 13 2000 - 10:23:55 CDT)
- IBM SP Matthew Lee (Wed Sep 13 2000 - 12:27:32 CDT)
- EWALD parameter range problem schayg_at_puskin-a206.sote.hu (Wed Sep 13 2000 - 13:48:24 CDT)
- Re: EWALD parameter range problem darden (Wed Sep 13 2000 - 17:29:16 CDT)
- NMODE Tuomo Laitinen (Thu Sep 14 2000 - 01:36:43 CDT)
- VRAND Craig Marhefka (Thu Sep 14 2000 - 08:48:49 CDT)
- Re: NMODE Todd J. Minehardt (Thu Sep 14 2000 - 09:13:49 CDT)
- Re: problem with leap Bill Ross (Thu Sep 14 2000 - 12:52:17 CDT)
- problem with leap Prem Raj Joseph (Thu Sep 14 2000 - 22:31:57 CDT)
- RE:pdb_MD Krishna Bisetty (Fri Sep 15 2000 - 07:18:53 CDT)
- delphi Pascal Bonnet (Fri Sep 15 2000 - 08:29:43 CDT)
- ANAL J. Bryan Buckalew (Fri Sep 15 2000 - 09:48:08 CDT)
- carbohydrates Boyd (Fri Sep 15 2000 - 11:25:21 CDT)
- C=C gail louise dempsey (Fri Sep 15 2000 - 11:25:34 CDT)
- Call for Papers - ACS Symposium: "Artificial Intelligence in Computational Chemistry" Curt M. Breneman (Fri Sep 15 2000 - 12:23:31 CDT)
- edit.out David Small (Fri Sep 15 2000 - 15:19:07 CDT)
- Amber6/Compaq jim caldwell (Fri Sep 15 2000 - 16:27:16 CDT)
- Re: Can amber6.0 do the implicit sovation model? Vickie Tsui (Mon Sep 18 2000 - 01:36:35 CDT)
- erfcfun.c for Alpha Yasuyuki Fujii (Wed Sep 20 2000 - 00:55:10 CDT)
- Re: erfcfun.c for Alpha Chuck Schneider (Wed Sep 20 2000 - 06:46:43 CDT)
- GB source code question samantha hughes (Wed Sep 20 2000 - 09:12:03 CDT)
- Loading CRD or RST files into Leap Michael Cooney (Wed Sep 20 2000 - 10:55:17 CDT)
- RE: Loading CRD or RST files into Leap Halima Amer (Wed Sep 20 2000 - 11:57:47 CDT)
- Re: Loading CRD or RST files into Leap Bill Ross (Wed Sep 20 2000 - 14:39:11 CDT)
- To Cray t3e users Grzegorz Jezierski (Thu Sep 21 2000 - 05:21:08 CDT)
- interaction energy Christopher Higgs (Thu Sep 21 2000 - 05:42:00 CDT)
- Re: interaction energy Michal Otyepka (Thu Sep 21 2000 - 09:02:16 CDT)
- about constraints Hyuk Soon Choi (Thu Sep 21 2000 - 09:22:08 CDT)
- Re: interaction energy Bill Ross (Thu Sep 21 2000 - 10:23:00 CDT)
- Re: DMSO parameters Gunter Wolf (Fri Sep 22 2000 - 04:55:14 CDT)
- DMSO parameters Jose Ramon Blas (Fri Sep 22 2000 - 13:21:06 CDT)
- Too many atoms Mark A. Zottola (Sat Sep 23 2000 - 11:40:54 CDT)
- Re: Too many atoms Bill Ross (Sat Sep 23 2000 - 14:55:06 CDT)
- AMBER data file for program DOT Jürgen J. Müller (Mon Sep 25 2000 - 12:12:56 CDT)
- TIP3P water in Amber6 Michael Cooney (Mon Sep 25 2000 - 12:47:19 CDT)
- Re: TIP3P water in Amber6 Bill Ross (Mon Sep 25 2000 - 14:00:25 CDT)
- vdW parameter for S atom Francois Dupradeau (Mon Sep 25 2000 - 19:07:06 CDT)
- AMBER data file for program DOT Jürgen J. Müller (Tue Sep 26 2000 - 00:26:27 CDT)
- REPEATED LINMIN FAILURE Mao Xiang (Tue Sep 26 2000 - 05:12:57 CDT)
- excluded atoms in prmtop files Andreas Svrcek-Seiler (Wed Sep 27 2000 - 09:27:37 CDT)
- Re: excluded atoms in prmtop files Bill Ross (Wed Sep 27 2000 - 11:06:57 CDT)
- Re: excluded atoms in prmtop files jim caldwell (Wed Sep 27 2000 - 11:12:03 CDT)
- Molecular Dynamics Problem Mark A. Zottola (Wed Sep 27 2000 - 16:37:17 CDT)
- leap problem about periodic boundary box K. Watanabe. (Wed Sep 27 2000 - 21:54:02 CDT)
- Re: leap problem about periodic boundary box Bill Ross (Wed Sep 27 2000 - 22:54:04 CDT)
- nmode out of memory schayg_at_puskin-a206.sote.hu (Thu Sep 28 2000 - 07:35:46 CDT)
- Re: nmode out of memory David Case (Thu Sep 28 2000 - 10:09:53 CDT)
- MPI gibbs Jarrod Smith (Thu Sep 28 2000 - 10:26:45 CDT)
- movie file Pascal Bonnet (Fri Sep 29 2000 - 04:56:16 CDT)
- repeated linmin failures Michael Cooney (Fri Sep 29 2000 - 09:49:07 CDT)
- (no subject) Yanni Wang (Fri Sep 29 2000 - 10:42:48 CDT)
- Re: problem with Interface script David Pearlman (Fri Sep 29 2000 - 12:07:44 CDT)
- Re: movie file Bill Ross (Fri Sep 29 2000 - 12:15:15 CDT)
- HEllo! Dat H. Nguyen (Fri Sep 29 2000 - 13:49:54 CDT)
- Re: movie file terreux_at_taloa.unice.fr (Fri Sep 29 2000 - 14:24:26 CDT)
- Re: HEllo! Bill Ross (Fri Sep 29 2000 - 14:57:22 CDT)
- perturbing charge Marcela Madrid (Fri Sep 29 2000 - 18:02:41 CDT)
- Re: perturbing charge Bill Ross (Fri Sep 29 2000 - 18:55:00 CDT)
- help with amber 41 on linux redhat 6.2 Margaret Cheung (Sat Sep 30 2000 - 02:49:35 CDT)
- Re: HEllo! Thomas E. Cheatham, III (Sat Sep 30 2000 - 11:36:51 CDT)
- automatic/semi-automatic type assignments Thomas C. Bishop (Sat Sep 30 2000 - 16:37:29 CDT)
- Re: help with amber 41 on linux redhat 6.2 David Konerding (Sat Sep 30 2000 - 20:07:53 CDT)
- xleap Marcela Madrid (Mon Oct 02 2000 - 11:10:45 CDT)
- Ewald Bomb Luis Gracia (Mon Oct 02 2000 - 11:30:10 CDT)
- docking Michal Otyepka (Mon Oct 02 2000 - 12:15:21 CDT)
- SGI_MP and sander 6 Jarrod Smith (Mon Oct 02 2000 - 16:37:45 CDT)
- Re: SGI_MP and sander 6 Nathalie Godbout (Tue Oct 03 2000 - 13:24:52 CDT)
- Organic solvents with Leap Jose Ramon Blas (Tue Oct 03 2000 - 19:20:58 CDT)
- [Fwd: Re: SGI_MP and sander 6] input files Nathalie Godbout (Wed Oct 04 2000 - 10:09:53 CDT)
- Re: xleap schayg_at_puskin-a206.sote.hu (Wed Oct 04 2000 - 13:12:33 CDT)
- CATFEE Announcement CATFEE (Wed Oct 04 2000 - 21:17:29 CDT)
- Re: docking Andreas Svrcek-Seiler (Thu Oct 05 2000 - 11:48:46 CDT)
- Re: Sander error in AMBER5 jim caldwell (Thu Oct 05 2000 - 15:22:55 CDT)
- OWFEG documentation Craig A Marhefka (Thu Oct 05 2000 - 16:07:33 CDT)
- AMBER forcefield and thioglycosides Neil Whittemore (Thu Oct 05 2000 - 22:41:55 CDT)
- Sander error in AMBER5 Bhupesh Taneja (Fri Oct 06 2000 - 02:02:24 CDT)
- AmberFFC 1.0 François Yves Dupradeau (Fri Oct 06 2000 - 07:45:45 CDT)
- Compiler Bug? Kouji Hayama (Fri Oct 06 2000 - 08:21:05 CDT)
- Fwd: question about sensitivity of DNA free energy simulations Marcela Madrid (Fri Oct 06 2000 - 09:25:46 CDT)
- Amber6 on SGI with IRIX6.5 Grzegorz Jezierski (Fri Oct 06 2000 - 09:56:51 CDT)
- Re: input error? jim caldwell (Fri Oct 06 2000 - 12:33:44 CDT)
- installing AMBER on Linux Prem Raj Joseph (Fri Oct 06 2000 - 12:47:53 CDT)
- input error? Troy Bothwell (Fri Oct 06 2000 - 13:24:02 CDT)
- Sander error solved Bhupesh Taneja (Fri Oct 06 2000 - 17:52:03 CDT)
- Re: Amber6 on SGI with IRIX6.5 Nelson Brito (Sat Oct 07 2000 - 06:38:58 CDT)
- AMBER on Linux- prob' solved----- thanks Prem Raj Joseph (Sat Oct 07 2000 - 18:58:48 CDT)
- saveamberparm problem of new molecule Mao Xiang (Sun Oct 08 2000 - 03:52:46 CDT)
- NSER Mao Xiang (Sun Oct 08 2000 - 06:11:48 CDT)
- INTPRT Craig A Marhefka (Sun Oct 08 2000 - 17:31:54 CDT)
- Re: INTPRT David Pearlman (Mon Oct 09 2000 - 00:30:31 CDT)
- Error in minimization and MD... Mausumi Mazumdar (Mon Oct 09 2000 - 00:43:03 CDT)
- compiling AMBER on IBM 44P Paolo Dapporto (Mon Oct 09 2000 - 04:34:24 CDT)
- compile on linux RH 6.2 Pascal Bonnet (Mon Oct 09 2000 - 05:52:13 CDT)
- Re: compiling AMBER on IBM 44P David Konerding (Mon Oct 09 2000 - 09:34:06 CDT)
- LGFIL and other outputs for OWFEG calcs Craig A Marhefka (Mon Oct 09 2000 - 09:59:13 CDT)
- periodic boundary conditions Pascal Bonnet (Mon Oct 09 2000 - 13:58:11 CDT)
- LGFIL and other outputs for OWFEG calcs Craig A Marhefka (Mon Oct 09 2000 - 14:06:32 CDT)
- information on troubleshooting in Amber amit kumar (Tue Oct 10 2000 - 01:11:39 CDT)
- compilation of Amber6 on IBM SP3 Giulio Rastelli (Tue Oct 10 2000 - 09:57:21 CDT)
- (no subject) Christian Pilger (Tue Oct 10 2000 - 10:26:05 CDT)
- CYM residue Jennifer Ludington (Tue Oct 10 2000 - 14:54:11 CDT)
- gibbs output Marcela Madrid (Tue Oct 10 2000 - 16:35:22 CDT)
- Re: gibbs output jim caldwell (Tue Oct 10 2000 - 17:37:28 CDT)
- namelist Eoin Galligan (Wed Oct 11 2000 - 09:11:07 CDT)
- MD namelist error with new Sander Michael Cooney (Wed Oct 11 2000 - 11:39:22 CDT)
- Re: compile on linux RH 6.2 Andreas Svrcek-Seiler (Thu Oct 12 2000 - 01:09:08 CDT)
- Re: installing AMBER on Linux schayg_at_puskin-a206.sote.hu (Thu Oct 12 2000 - 04:24:10 CDT)
- Re: your mail schayg_at_puskin-a206.sote.hu (Thu Oct 12 2000 - 04:41:46 CDT)
- HBOND analysis after CARNAL samantha hughes (Thu Oct 12 2000 - 07:31:11 CDT)
- LGFIL and other outputs for OWFEG calcs Craig Marhefka (Thu Oct 12 2000 - 10:43:01 CDT)
- Field delegate for MidasPlus Craig Marhefka (Thu Oct 12 2000 - 10:44:55 CDT)
- Cysteine with negative charge Jennifer Ludington (Thu Oct 12 2000 - 12:16:52 CDT)
- improper density in constant pressure md Scott A. Showalter (Thu Oct 12 2000 - 13:18:51 CDT)
- amber6 Scott E. Boesch (Thu Oct 12 2000 - 14:28:15 CDT)
- Re: amber6 jim caldwell (Thu Oct 12 2000 - 15:46:24 CDT)
- correlation matrix Michal Otyepka (Fri Oct 13 2000 - 04:01:30 CDT)
- Free Energy Calculation with Potential of Mean Force Nori (Fri Oct 13 2000 - 09:49:55 CDT)
- Re: amber6 on HP N-4000 Complex Scott Boesch (Fri Oct 13 2000 - 12:07:43 CDT)
- water density around the molecule Shixiang Yan (Fri Oct 13 2000 - 23:01:26 CDT)
- water density around the molecule Shixiang Yan (Fri Oct 13 2000 - 23:01:26 CDT)
- showing density map? Jianxin Guo (Sun Oct 15 2000 - 15:48:48 CDT)
- showing density map? Jianxin Guo (Sun Oct 15 2000 - 15:48:48 CDT)
- Re: showing density map? Bill Ross (Sun Oct 15 2000 - 21:43:07 CDT)
- Re: showing density map? Bill Ross (Sun Oct 15 2000 - 21:43:07 CDT)
- (no subject) Christian Pilger (Mon Oct 16 2000 - 12:20:20 CDT)
- (no subject) Christian Pilger (Mon Oct 16 2000 - 12:20:20 CDT)
- Forwarded mail.... Christian Pilger (Tue Oct 17 2000 - 09:38:44 CDT)
- Linux Giulio Rastelli (Tue Oct 17 2000 - 09:59:45 CDT)
- Re: Forwarded mail.... cieplak_at_tiger.chem.uw.edu.pl (Tue Oct 17 2000 - 10:33:18 CDT)
- :trouble shooting in amber amit kumar (Thu Oct 19 2000 - 16:39:41 CDT)
- sander test /Amber6 Giulio Rastelli (Fri Oct 20 2000 - 03:29:03 CDT)
- Parm98 parameters Simon Cross (Fri Oct 20 2000 - 03:57:10 CDT)
- Re: sander test /Amber6 Nathalie Godbout (Fri Oct 20 2000 - 08:14:50 CDT)
- missing parameters Jie Lu (Fri Oct 20 2000 - 13:25:28 CDT)
- Re: missing parameters Jie Lu (Fri Oct 20 2000 - 17:22:24 CDT)
- shared memory sander Shixiang Yan (Fri Oct 20 2000 - 18:00:14 CDT)
- self diffusion of water at equilibrium T=300K P=1atm gail louise dempsey (Fri Oct 20 2000 - 20:55:38 CDT)
- calculation time Andrew Aird (Mon Oct 23 2000 - 05:49:27 CDT)
- Z-dna J. Bryan Buckalew (Mon Oct 23 2000 - 12:55:48 CDT)
- Re: Plotting Hbond info from Carnal samantha hughes (Mon Oct 23 2000 - 13:41:10 CDT)
- Adding metal parameter kiyean.nam_at_pharma.Novartis.com (Mon Oct 23 2000 - 17:53:27 CDT)
- carnal Eoin Galligan (Tue Oct 24 2000 - 06:24:55 CDT)
- Cl and NO2 Oscar Rey (Tue Oct 24 2000 - 09:25:28 CDT)
- addition to prev. mail Eoin Galligan (Tue Oct 24 2000 - 09:44:44 CDT)
- Xtal Waters and SolvateBox Javier De Las Rivas (Tue Oct 24 2000 - 10:04:46 CDT)
- Re: Adding metal parameter Michael Cooney (Tue Oct 24 2000 - 13:37:55 CDT)
- How to M'Halla Jalel (Tue Oct 24 2000 - 13:57:03 CDT)
- Re: How to Bill Ross (Tue Oct 24 2000 - 14:47:44 CDT)
- Re: Xtal Waters and SolvateBox Bill Ross (Tue Oct 24 2000 - 15:58:17 CDT)
- sander on sgi O2/R5k--workaround Nathalie Godbout (Tue Oct 24 2000 - 16:46:58 CDT)
- ntwxm,ntwvm,ntwem gail louise dempsey (Tue Oct 24 2000 - 17:47:45 CDT)
- (no subject) gail louise dempsey (Tue Oct 24 2000 - 17:54:32 CDT)
- ENTER to WIN a beautiful 1969 Z/28 Camaro for $1.00 Shannon (Tue Oct 24 2000 - 21:40:21 CDT)
- MM_GBSA and DNA methylation Sylvie Derreumaux (Wed Oct 25 2000 - 09:06:17 CDT)
- gibbs ile->val energies Steve Edmondson (Wed Oct 25 2000 - 09:26:45 CDT)
- min error Eoin Galligan (Wed Oct 25 2000 - 13:22:00 CDT)
- Re: min error jim caldwell (Wed Oct 25 2000 - 14:40:02 CDT)
- Re: missing parameters Jie Lu (Wed Oct 25 2000 - 18:38:31 CDT)
- nonbonded pairlist update Andrew Aird (Thu Oct 26 2000 - 07:55:48 CDT)
- LGFIL and other outputs for OWFEG calcs Craig Marhefka (Thu Oct 26 2000 - 13:40:31 CDT)
- Sander_classic to Sander switch Michael Cooney (Thu Oct 26 2000 - 15:10:59 CDT)
- Re: nonbonded pairlist update Andrew Aird (Thu Oct 26 2000 - 16:38:28 CDT)
- information d'Alessio, Paola (Fri Oct 27 2000 - 10:42:36 CDT)
- book on molecular design Boyd (Sat Oct 28 2000 - 13:51:27 CDT)
- (no subject) Alessandra Ricca (Mon Oct 30 2000 - 11:08:30 CST)
- A problem with "inhomogeneous' Wen Li (Mon Oct 30 2000 - 13:11:22 CST)
- sodium_gibbs_pme test Marcela Madrid (Mon Oct 30 2000 - 13:19:19 CST)
- Protein-Protein docking Sam Andersen (Mon Oct 30 2000 - 13:51:40 CST)
- Re: Xtal Waters and SolvateBox Michael Cooney (Mon Oct 30 2000 - 13:52:32 CST)
- POL3 Bill Ross (Mon Oct 30 2000 - 15:09:40 CST)
- Re: POL3 Bill Ross (Mon Oct 30 2000 - 16:25:06 CST)
- (no subject) Alessandra Ricca (Mon Oct 30 2000 - 18:19:55 CST)
- (no subject) Alessandra Ricca (Mon Oct 30 2000 - 18:23:12 CST)
- re: frcmod polar Bill Ross (Tue Oct 31 2000 - 02:06:56 CST)
- Re: Protein-Protein docking Simon Cross (Tue Oct 31 2000 - 04:02:19 CST)
- PME Andrew Aird (Tue Oct 31 2000 - 06:34:16 CST)
- Sander compilation problem on HP Scott Boesch (Tue Oct 31 2000 - 09:57:48 CST)
- Running tests on SP2 machine ramon kleber da rocha (Tue Oct 31 2000 - 12:01:16 CST)
- RE: PME crowley (Tue Oct 31 2000 - 12:03:42 CST)
- file format question Ryan H. Lilien (Tue Oct 31 2000 - 12:38:04 CST)
- Re: PME David Case (Tue Oct 31 2000 - 12:55:15 CST)
- Re: Sander compilation problem on HP jim caldwell (Tue Oct 31 2000 - 13:04:56 CST)
- Re: Element Bill Ross (Tue Oct 31 2000 - 13:26:30 CST)
- (no subject) Alessandra Ricca (Tue Oct 31 2000 - 15:41:44 CST)
- amber6.0 timing Andrew Petersen (Wed Nov 01 2000 - 08:36:31 CST)
- Re: your mail jim caldwell (Wed Nov 01 2000 - 09:56:51 CST)
- RE: Elements Bayly, Chris (Wed Nov 01 2000 - 11:05:36 CST)
- (no subject) Alessandra Ricca (Wed Nov 01 2000 - 11:17:57 CST)
- Re: your mail jim caldwell (Wed Nov 01 2000 - 13:17:25 CST)
- make install Margaret Doll (Wed Nov 01 2000 - 15:11:06 CST)
- Re: amber6.0 timing jim caldwell (Wed Nov 01 2000 - 15:13:59 CST)
- Problems with memory for large systems Grzegorz Jezierski (Thu Nov 02 2000 - 03:14:36 CST)
- belly Andrew Aird (Thu Nov 02 2000 - 10:04:42 CST)
- shake/potential function Andrew Aird (Thu Nov 02 2000 - 10:08:23 CST)
- Re: make install Bill Ross (Thu Nov 02 2000 - 11:12:11 CST)
- (no subject) Alessandra Ricca (Thu Nov 02 2000 - 11:35:49 CST)
- re: shake/potential function Bill Ross (Thu Nov 02 2000 - 12:21:26 CST)
- Re: Using CARNAL to compute per-residue RMSD between PDB files Bill Ross (Thu Nov 02 2000 - 15:35:08 CST)
- Emerging Technologies/COMP 2001 Boyd (Fri Nov 03 2000 - 10:33:47 CST)
- Re: finding average Thomas Cheatham (Fri Nov 03 2000 - 10:54:19 CST)
- Sander/MPI/redimension Mihaly Mezei (Fri Nov 03 2000 - 12:28:27 CST)
- Restraints in Amber6 Troy Bothwell (Fri Nov 03 2000 - 12:35:31 CST)
- RE: Restraints in Amber6 Troy Bothwell (Fri Nov 03 2000 - 13:33:45 CST)
- RE: Restraints in Amber6 Troy Bothwell (Fri Nov 03 2000 - 13:36:52 CST)
- Re: Sander/MPI/redimension Michael Crowley (Fri Nov 03 2000 - 15:28:51 CST)
- (no subject) Alessandra Ricca (Fri Nov 03 2000 - 18:23:45 CST)
- (no subject) Bill Ross (Fri Nov 03 2000 - 19:56:12 CST)
- Md at NVE A.Madhumalar (Sun Nov 05 2000 - 06:29:40 CST)
- Improper Dihedrals Ryan H. Lilien (Mon Nov 06 2000 - 14:38:49 CST)
- Re: Improper Dihedrals Bill Ross (Mon Nov 06 2000 - 17:54:20 CST)
- (no subject) Alessandra Ricca (Mon Nov 06 2000 - 18:22:02 CST)
- Re: leap problems Bill Ross (Tue Nov 07 2000 - 01:27:32 CST)
- carbohydrate minimisation Mark Forster (Tue Nov 07 2000 - 11:06:33 CST)
- Trying to compile Amber 6 on Intel/linux Leila Ayadi (Tue Nov 07 2000 - 11:25:40 CST)
- Re: Trying to compile Amber 6 on Intel/linux jim caldwell (Tue Nov 07 2000 - 13:33:17 CST)
- Re: question David Case (Tue Nov 07 2000 - 13:55:47 CST)
- OWFEG documentation Craig Marhefka (Tue Nov 07 2000 - 15:31:37 CST)
- leap Nelson Brito (Wed Nov 08 2000 - 04:57:09 CST)
- RE: Profect visualization jim caldwell (Wed Nov 08 2000 - 13:26:54 CST)
- Re: Amber on Linux schayg_at_puskin-a206.sote.hu (Fri Nov 10 2000 - 07:33:47 CST)
- Re: Cannoct connect to Amber Home Page Michael Cooney (Fri Nov 10 2000 - 11:44:54 CST)
- PME group decomposition Andrew Petersen (Fri Nov 10 2000 - 11:46:19 CST)
- PMF and PME with DNA David Bosch (Mon Nov 13 2000 - 03:51:47 CST)
- Question on Parallel Sander AMBER 6.0 Jennifer Bui (Mon Nov 13 2000 - 11:56:50 CST)
- Re: Question on Parallel Sander AMBER 6.0 Michael Crowley (Mon Nov 13 2000 - 13:23:28 CST)
- About Retinal K. Watanabe. (Mon Nov 13 2000 - 19:16:34 CST)
- (no subject) Alessandra Ricca (Tue Nov 14 2000 - 17:12:00 CST)
- Re: your mail jim caldwell (Tue Nov 14 2000 - 18:29:29 CST)
- 2 questions mkf7_at_cornell.edu (Wed Nov 15 2000 - 17:00:54 CST)
- Re: 2 questions Bill Ross (Wed Nov 15 2000 - 21:48:17 CST)
- Re: 2 questions David Case (Thu Nov 16 2000 - 09:55:35 CST)
- (no subject) Joseph Nachman (Thu Nov 16 2000 - 10:13:48 CST)
- Issues with Trunc. Oct. Robert Matthew Fesinmeyer (Thu Nov 16 2000 - 17:44:31 CST)
- Re: 2 questions Simon Cross (Fri Nov 17 2000 - 03:40:57 CST)
- Re: your mail Michael Cooney (Fri Nov 17 2000 - 10:56:30 CST)
- (no subject) Joseph Nachman (Fri Nov 17 2000 - 10:59:23 CST)
- Re: Issues with Trunc. Oct. Pascal Bonnet (Fri Nov 17 2000 - 12:12:30 CST)
- DNA dissociation in Ewald simulation Michael Cooney (Fri Nov 17 2000 - 15:39:05 CST)
- GB vs. GB/SA Andreas Svrcek-Seiler (Mon Nov 20 2000 - 08:09:08 CST)
- (no subject) Raja Swamynathan (Mon Nov 20 2000 - 09:30:03 CST)
- announcing mdxvu MD aanalysis code Mark Forster (Mon Nov 20 2000 - 10:30:58 CST)
- (no subject) Alessandra Ricca (Mon Nov 20 2000 - 16:14:44 CST)
- normal modes hermone_at_pegasus.arc.nasa.gov (Mon Nov 20 2000 - 17:51:55 CST)
- about PMF Kazunori Yamanaka (Tue Nov 21 2000 - 01:56:27 CST)
- error 76 Sara Madail (Tue Nov 21 2000 - 04:30:50 CST)
- Re: error 76 Chuck Schneider (Tue Nov 21 2000 - 06:37:18 CST)
- server down Michael Cooney (Tue Nov 21 2000 - 10:42:19 CST)
- (no subject) robert (Tue Nov 21 2000 - 11:02:46 CST)
- Re: GB vs. GB/SA David Case (Tue Nov 21 2000 - 12:15:42 CST)
- how to turn off self repulsion Marcela Madrid (Tue Nov 21 2000 - 13:39:45 CST)
- Performance of Compaq ES vs IBM or ORIGIN servers Sam Andersen (Tue Nov 21 2000 - 20:54:39 CST)
- Amber5 RESP (fwd) Simon Cross (Wed Nov 22 2000 - 07:55:10 CST)
- Restarting production runs miyasaki_at_haystack.lclark.edu (Wed Nov 22 2000 - 08:50:18 CST)
- ibelly and ntr Joseph Nachman (Wed Nov 22 2000 - 11:33:57 CST)
- dynamics with different pH conditions Ramasamy Thilagavathi (Thu Nov 23 2000 - 06:22:07 CST)
- (no subject) Patrice Malfreyt (Thu Nov 23 2000 - 06:40:07 CST)
- Question? Khatcharin Siriwong (Thu Nov 23 2000 - 11:27:08 CST)
- Re: dynamics with different pH conditions David Case (Thu Nov 23 2000 - 14:02:46 CST)
- Re: Question? David Case (Thu Nov 23 2000 - 17:48:04 CST)
- Rigid Body Analysis Michal Otyepka (Fri Nov 24 2000 - 03:34:05 CST)
- parameters for GB use Mark Forster (Fri Nov 24 2000 - 03:58:51 CST)
- PME on SP2 for AMBER5 Sanjeev B.S. (Fri Nov 24 2000 - 06:27:46 CST)
- Anglerfreunde - Einladung zum kostenlosen Fischfraß teo_at_aol.com (Fri Nov 24 2000 - 08:23:21 CST)
- Re: parameters for GB use David Case (Fri Nov 24 2000 - 12:02:57 CST)
- Parallelization on SGI for AMBER5 Sanjeev B.S. (Fri Nov 24 2000 - 14:29:22 CST)
- doubt in constant pressure simulations Raja Swaminathan (Sat Nov 25 2000 - 11:00:11 CST)
- Re: doubt in constant pressure simulations jim caldwell (Sat Nov 25 2000 - 12:15:15 CST)
- File /usr/lib/libI77_mp.a Sanjeev B.S. (Sun Nov 26 2000 - 07:42:47 CST)
- Re: Parallelization on SGI for AMBER5 Nelson Brito (Mon Nov 27 2000 - 03:49:18 CST)
- test - NM Jake Isaacs (Mon Nov 27 2000 - 16:47:27 CST)
- Re: installation help David Konerding (Mon Nov 27 2000 - 18:29:45 CST)
- installation help xin hu (Mon Nov 27 2000 - 22:34:08 CST)
- Re: CCL:Performance of Compaq ES vs IBM or ORIGIN servers Nathalie Godbout (Tue Nov 28 2000 - 16:09:51 CST)
- purine partial charges Andrew Petersen (Tue Nov 28 2000 - 16:40:07 CST)
- missing parameters Andrew Aird (Wed Nov 29 2000 - 04:31:55 CST)
- MM-PBSA miyasaki_at_haystack.lclark.edu (Wed Nov 29 2000 - 09:07:56 CST)
- modeling GPCRs Giulio Rastelli (Wed Nov 29 2000 - 11:49:14 CST)
- Parameter-Web Page Christian Pilger (Wed Nov 29 2000 - 14:10:19 CST)
- Additional Water Potentials Garrett W Grahek (Wed Nov 29 2000 - 16:20:33 CST)
- Re: Additional Water Potentials Bill Ross (Wed Nov 29 2000 - 18:47:37 CST)
- Re: MM-PBSA samantha hughes (Thu Nov 30 2000 - 02:05:22 CST)
- PME GIOVA (Thu Nov 30 2000 - 08:01:11 CST)
- TIP4P water Maria Kurnikova (Thu Nov 30 2000 - 09:36:25 CST)
- missing angle parameters Andrew Aird (Thu Nov 30 2000 - 11:38:22 CST)
- Acetonitrile Jose Ramon Blas (Thu Nov 30 2000 - 22:38:32 CST)
- Discover to AMBER trajectory utilities Mark Forster (Fri Dec 01 2000 - 04:30:31 CST)
- Small Molecule Paramaterisation Simon Cross (Fri Dec 01 2000 - 04:46:28 CST)
- question about using SUN machine for amber? wentaofu (Fri Dec 01 2000 - 09:06:00 CST)
- Re: Restarting production runs Michael Cooney (Fri Dec 01 2000 - 11:21:07 CST)
- removing rotation during MD Raik Gruenberg (Fri Dec 01 2000 - 11:43:42 CST)
- Parallelization on VPP700 for AMBER5 Minenosuke Matsutani (Mon Dec 04 2000 - 01:12:12 CST)
- Re: removing rotation during MD Andreas Svrcek-Seiler (Mon Dec 04 2000 - 06:32:17 CST)
- libcss for SP2 Sanjeev B.S. (Mon Dec 04 2000 - 06:38:56 CST)
- AMBER6 RESP arubin_at_unmc.edu (Mon Dec 04 2000 - 13:26:30 CST)
- Question about TEMP and PRESS on Sander AMBER 5.1 Ramon Garduno (Mon Dec 04 2000 - 21:39:24 CST)
- Re: minimization of many structures jim caldwell (Tue Dec 05 2000 - 08:55:07 CST)
- Re: minimization of many structures Bill Ross (Tue Dec 05 2000 - 10:47:16 CST)
- Re: MPI Sander on a 5 node SMP cluster David Konerding (Tue Dec 05 2000 - 14:52:36 CST)
- intprt on gibbs Marcela Madrid (Tue Dec 05 2000 - 15:19:52 CST)
- FW: INTPRT Craig Marhefka (Wed Dec 06 2000 - 09:04:22 CST)
- Re: filter? jim caldwell (Wed Dec 06 2000 - 11:09:06 CST)
- Monte-Carlo Andrew Aird (Wed Dec 06 2000 - 11:12:08 CST)
- Parm File MBDXISN2 (Thu Dec 07 2000 - 05:38:41 CST)
- Re: Parm File jim caldwell (Thu Dec 07 2000 - 09:40:53 CST)
- Re: Monte-Carlo Jed Pitera (Thu Dec 07 2000 - 11:50:02 CST)
- run sander on shared memory sgi Shixiang Yan (Thu Dec 07 2000 - 13:48:41 CST)
- DEVIATION IS TOO LARGE Shixiang Yan (Fri Dec 08 2000 - 12:42:37 CST)
- QUESTION ABOUT SANDER Ramon Garduno (Fri Dec 08 2000 - 23:13:31 CST)
- ANAL question Ryan H. Lilien (Mon Dec 11 2000 - 10:35:35 CST)
- ANAL question Ryan H. Lilien (Mon Dec 11 2000 - 12:29:07 CST)
- sulfur parameters Cristina Dezi (Mon Dec 11 2000 - 14:39:16 CST)
- DNA flexibility Jithesh P.V (Mon Dec 11 2000 - 22:33:08 CST)
- (no subject) danilosili (Tue Dec 12 2000 - 03:27:51 CST)
- (no subject) danilosili (Tue Dec 12 2000 - 03:27:57 CST)
- Re: DNA flexibility Filip Lankas (Tue Dec 12 2000 - 05:04:45 CST)
- crd file input for ptraj Michael Cooney (Tue Dec 12 2000 - 11:02:37 CST)
- frcmod file format in amber 6.0 Mathy Froeyen (Wed Dec 13 2000 - 03:01:04 CST)
- Re: INTERNATIONAL PIANO MASTER CLASS 2001 Nelson Brito (Wed Dec 13 2000 - 04:17:35 CST)
- reading in residues Eoin Galligan (Wed Dec 13 2000 - 11:12:51 CST)
- Re: frcmod file format in amber 6.0 Bill Ross (Wed Dec 13 2000 - 11:57:27 CST)
- Review a sample issue of the Journal of Applied Spectroscopy (eu20) Steve C. Franklin (Wed Dec 13 2000 - 20:31:17 CST)
- Can I...? Tim Astley (Wed Dec 13 2000 - 22:38:31 CST)
- MPI on SUN Sanjeev B.S. (Thu Dec 14 2000 - 06:00:29 CST)
- Machine file.... Lalith Perera (Thu Dec 14 2000 - 08:27:31 CST)
- where to specify parm98.dat + has AMBER been compiled on HP N-4000 complex Jake Isaacs (Thu Dec 14 2000 - 11:20:28 CST)
- omit non-bonded energy in Amber 6 Pornthep Sompornpisut (Thu Dec 14 2000 - 15:12:55 CST)
- Re: omit non-bonded energy in Amber 6 Laurent Chiche (Fri Dec 15 2000 - 02:27:07 CST)
- sizes.h for sander Sanjeev B.S. (Sat Dec 16 2000 - 13:56:44 CST)
- EWALD BOMB Grzegorz Jezierski (Mon Dec 18 2000 - 09:53:12 CST)
- initial density generated by solvatebox Jake Isaacs (Mon Dec 18 2000 - 10:42:23 CST)
- Re: initial density generated by solvatebox Bill Ross (Mon Dec 18 2000 - 11:23:04 CST)
- 1-4 interactions Andrew Petersen (Mon Dec 18 2000 - 14:33:24 CST)
- RST file for non-standard residue arubin_at_unmc.edu (Mon Dec 18 2000 - 16:08:40 CST)
- Re: EWALD BOMB darden (Mon Dec 18 2000 - 17:20:43 CST)
- One question about praj ZhiYong Zhang (Mon Dec 18 2000 - 21:59:14 CST)
- pdbgen Olga Carvalho (Tue Dec 19 2000 - 04:52:52 CST)
- restraints + potential Eoin Galligan (Tue Dec 19 2000 - 06:22:35 CST)
- Re: pdbgen Achintya Das (Tue Dec 19 2000 - 08:21:11 CST)
- one question Zhangxd (Tue Dec 19 2000 - 09:44:47 CST)
- Re: One question about praj Pascal Bonnet (Tue Dec 19 2000 - 11:32:32 CST)
- PostDoc Position available Ronald Kuehne (Wed Dec 20 2000 - 02:57:15 CST)
- water and ions Prem Raj Joseph (Thu Dec 21 2000 - 10:12:53 CST)
- Brazilian Symposium on Medicinal Chemistry Carlos Montanari (Thu Dec 21 2000 - 11:01:05 CST)
- hi Zhangxd (Thu Dec 21 2000 - 15:22:50 CST)
- Re: Saving coordinates with sander_classic Michael Cooney (Thu Dec 21 2000 - 15:34:34 CST)
- ibelly Joseph Nachman (Thu Dec 21 2000 - 16:37:25 CST)
- Configuring AMBER program deborah buam (Fri Dec 22 2000 - 10:41:15 CST)
- froce field parameters Christian Pilger (Fri Dec 22 2000 - 11:31:16 CST)
- Re: CCL:froce field parameters xin_hu (Fri Dec 22 2000 - 12:05:09 CST)
- question Zhangxd (Fri Dec 22 2000 - 14:16:15 CST)
- compile error Margaret Cheung (Sun Dec 24 2000 - 04:23:50 CST)
- about defining disulfide bond shuji ichikawa (Tue Dec 26 2000 - 08:10:24 CST)
- Request for using AMBER server deborah buam (Tue Dec 26 2000 - 11:15:32 CST)
- about temperture Zhangxd (Thu Dec 28 2000 - 13:52:13 CST)
- Re: CCL:AMBER6 and MPICH David Case (Fri Dec 29 2000 - 11:56:24 CST)
- Re: CCL:AMBER6 and MPICH David Konerding (Sat Dec 30 2000 - 23:44:00 CST)
Last message date: Sat Dec 30 2000 - 23:44:00 CST
Archived on: Thu May 05 2005 - 14:17:08 CDT
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