Amber Archive Aug 2003: by author

Alexey Onufriev
- Re: AMBER: Is NTC=2 correct for minimization when hydrogens are added? (Sat Aug 16 2003 - 09:37:35 PDT)
Alfonso Garcia Sosa
- Re: AMBER: zero free energy change for nonbond leg of electrst. decoupling (Tue Aug 05 2003 - 14:12:10 PDT)
- AMBER: zero free energy change for nonbond leg of electrst. decoupling (Tue Aug 05 2003 - 07:03:59 PDT)
Andreas Svrcek-Seiler
- Re: AMBER: constant energy simulation (Wed Aug 13 2003 - 06:50:32 PDT)
Andy Purkiss
- Re: AMBER: one more line about the npscal, box size changes and rms (Thu Aug 07 2003 - 08:30:25 PDT)
arun prasad
- AMBER: Amber parallelisation (Fri Aug 01 2003 - 02:15:05 PDT)
Arvid Soederhaell
- AMBER: separate thermostats for different molecules (Mon Aug 04 2003 - 06:13:11 PDT)
atobak.eden.rutgers.edu
- AMBER: sander minimization (Fri Aug 29 2003 - 13:39:58 PDT)
- AMBER: "ATTN, need revision" (Thu Aug 28 2003 - 09:31:05 PDT)
bigbrainstorm
- Re: AMBER: Antechamber functionality, MOL2 files (Wed Aug 13 2003 - 09:20:09 PDT)
- AMBER: Antechamber functionality, MOL2 files (Tue Aug 12 2003 - 19:50:40 PDT)
Bill Ross
- Re: AMBER: xleap memory issue (Tue Aug 26 2003 - 17:52:40 PDT)
- RE: AMBER: CARNAL (Mon Aug 25 2003 - 13:45:13 PDT)
- RE: AMBER: CARNAL (Mon Aug 25 2003 - 12:40:29 PDT)
- Re: AMBER: ptraj problem (Mon Aug 25 2003 - 12:14:23 PDT)
- Re: AMBER: CARNAL (Mon Aug 25 2003 - 12:04:56 PDT)
- Re: AMBER: united atom weiner force field (Mon Aug 18 2003 - 09:12:49 PDT)
- Re: AMBER: About the limitation of characters on one line in carnal input fi le (Thu Aug 07 2003 - 15:01:40 PDT)
- Re: AMBER: About the limitation of characters on one line in carnal input fi le (Thu Aug 07 2003 - 14:31:39 PDT)
Carlos Simmerling
- Re: AMBER: target MD simulation (Wed Aug 27 2003 - 12:59:09 PDT)
- Re: AMBER: Comparing PE of different conformations (Thu Aug 07 2003 - 12:57:11 PDT)
- Re: AMBER: Comparing PE of different conformations (Wed Aug 06 2003 - 09:45:53 PDT)
- Re: AMBER: Comparing PE of different conformations (Wed Aug 06 2003 - 09:33:42 PDT)
- Re: AMBER: AMBER7 & mpich (Sat Aug 02 2003 - 05:53:26 PDT)
Chen, Ya
- AMBER: Questions on Phi, Psi angles produced by pmemd/sander7 (Fri Aug 22 2003 - 21:47:21 PDT)
darden
- Re: AMBER: more than 100,000 atoms ? (Thu Aug 07 2003 - 14:23:25 PDT)
David A. Case
- Re: AMBER: sander minimization (Fri Aug 29 2003 - 14:32:55 PDT)
- Re: AMBER: what can't I use ibelly? (Thu Aug 28 2003 - 12:40:55 PDT)
- Re: AMBER: target MD simulation (Wed Aug 27 2003 - 13:39:31 PDT)
- Re: AMBER: LEaP not compiling (Wed Aug 27 2003 - 08:42:49 PDT)
- Re: AMBER: mpprun: exec of '/usr/local/bin/sander7.0' failed: Not enough space (Tue Aug 26 2003 - 18:32:20 PDT)
- Re: AMBER: xleap memory issue (Tue Aug 26 2003 - 18:25:29 PDT)
- Re: AMBER: The FCAP parameter in amber7 (Mon Aug 25 2003 - 16:59:45 PDT)
- Re: AMBER: gibbs pmf calculation (Mon Aug 25 2003 - 16:07:16 PDT)
- Re: AMBER: gibbs pmf calculation (Mon Aug 25 2003 - 08:25:27 PDT)
- Re: Re[2]: AMBER: antechamber problem (Thu Aug 21 2003 - 16:34:17 PDT)
- Re: AMBER: gibbs pmf calculation (Wed Aug 20 2003 - 15:13:23 PDT)
- Re: AMBER: antechamber problem (Wed Aug 20 2003 - 15:07:30 PDT)
- Re: AMBER: nmanal's rvec file (Tue Aug 19 2003 - 19:00:19 PDT)
- Re: AMBER: prepin file (Tue Aug 19 2003 - 08:45:30 PDT)
- Re: AMBER: temperature does not reach to temp0 (Tue Aug 19 2003 - 08:47:15 PDT)
- Re: AMBER: nmanal in amber7 (Mon Aug 18 2003 - 12:54:04 PDT)
- Re: AMBER: tleap under amber6 (Mon Aug 18 2003 - 11:48:19 PDT)
- Re: AMBER: nmanal in amber7 (Mon Aug 18 2003 - 11:44:20 PDT)
- Re: AMBER: united atom weiner force field (Mon Aug 18 2003 - 08:21:03 PDT)
- Re: AMBER: AMBER 7_make install (Mon Aug 18 2003 - 08:16:20 PDT)
- Re: AMBER: Problems with extra points on parralellized linux and sgi machine (Mon Aug 18 2003 - 08:08:57 PDT)
- Re: AMBER: large changes in xyz coordinates (Sat Aug 16 2003 - 21:07:25 PDT)
- Re: AMBER: NTX 5 or 7 after equilibration in constant pressure? (Sat Aug 16 2003 - 17:04:18 PDT)
- Re: AMBER: minimum image convention mystery (Sat Aug 16 2003 - 17:02:03 PDT)
- Re: AMBER: Gibbs pmf calculation (Fri Aug 15 2003 - 09:51:07 PDT)
- Re: AMBER: Problems with extra points on parralellized linux and sgi machine (Fri Aug 15 2003 - 09:17:15 PDT)
- Re: AMBER: minimization error (Thu Aug 14 2003 - 11:41:43 PDT)
- Re: AMBER: simulating a crystal using the unit cell (Thu Aug 14 2003 - 08:40:42 PDT)
- Re: AMBER: complete pdb structure (Wed Aug 13 2003 - 22:30:08 PDT)
- Re: AMBER: constant energy simulation (Wed Aug 13 2003 - 15:52:56 PDT)
- Re: AMBER: ANAL component (Wed Aug 13 2003 - 15:45:36 PDT)
- Re: AMBER: constant energy simulation (Wed Aug 13 2003 - 08:46:52 PDT)
- Re: AMBER: question to calculate diffusion coefficient under periodic boundary conditions. (Tue Aug 12 2003 - 12:23:55 PDT)
- Re: AMBER: machine dependent? (Mon Aug 11 2003 - 13:46:14 PDT)
- Re: AMBER: saveamberprep in xLeap (Fri Aug 08 2003 - 09:38:34 PDT)
- Re: AMBER: Reference for Amber7 heme parameters (Fri Aug 08 2003 - 08:23:46 PDT)
- Re: AMBER: import pdb file in xleap (Thu Aug 07 2003 - 14:30:51 PDT)
- Re: a bug? Re: AMBER: one more line about the npscal, box size changes and rms (Thu Aug 07 2003 - 11:35:46 PDT)
- Re: AMBER: 2D periodic box (Thu Aug 07 2003 - 09:28:09 PDT)
- Re: AMBER: references about AMBER MD simulations (Wed Aug 06 2003 - 23:21:05 PDT)
- Re: AMBER: SHAKE Problem (Wed Aug 06 2003 - 14:52:21 PDT)
- AMBER: Re: dynamics of isolated system (fwd) (Wed Aug 06 2003 - 14:43:29 PDT)
- Re: AMBER: anal - memory problem (Wed Aug 06 2003 - 12:00:32 PDT)
- Re: AMBER: zero free energy change for nonbond leg of electrst. decoupling (Tue Aug 05 2003 - 12:39:22 PDT)
- Re: AMBER: (no subject) (Tue Aug 05 2003 - 12:32:56 PDT)
- Re: AMBER: charge method of antechamber (Mon Aug 04 2003 - 22:24:00 PDT)
- Re: AMBER: separate thermostats for different molecules (Mon Aug 04 2003 - 22:19:02 PDT)
- Re: AMBER: normal mode analysis (Mon Aug 04 2003 - 22:12:36 PDT)
- Re: AMBER: AMBER7 & mpich : (no-attachment version) (Sat Aug 02 2003 - 13:30:00 PDT)
- Re: AMBER: Problem generating .tpp and .rst files for a complex (Fri Aug 01 2003 - 08:32:24 PDT)
- Re: AMBER: Amber parallelisation (Fri Aug 01 2003 - 08:18:17 PDT)
David Case
- Re: AMBER: nmanal's error message (Mon Aug 18 2003 - 16:24:11 PDT)
David Smith
- Re: Re[2]: AMBER: derive corresponding torsional parameters (Fri Aug 08 2003 - 09:20:32 PDT)
- Re: AMBER: more than 100,000 atoms ? (Fri Aug 08 2003 - 08:17:39 PDT)
- Re: AMBER: derive corresponding torsional parameters (Fri Aug 08 2003 - 06:39:57 PDT)
- AMBER: more than 100,000 atoms ? (Thu Aug 07 2003 - 12:44:23 PDT)
Dr. Yong Duan
- a bug? Re: AMBER: one more line about the npscal, box size changes and rms (Thu Aug 07 2003 - 08:49:10 PDT)
Endres, Robert G.
- AMBER: amber-on-cheetah-question (Wed Aug 13 2003 - 12:20:10 PDT)
Frank Boeckler
- AMBER: usability of mm_pbsa with ligand - membrane protein - complex (Thu Aug 28 2003 - 15:20:09 PDT)
FyD
- AMBER: AmberFFC v1.3 released (Fri Aug 29 2003 - 09:35:12 PDT)
Gaurav Sahni
- Re: AMBER: Insight pdb file in xleap (Thu Aug 07 2003 - 23:25:42 PDT)
gold gunaseelan
- AMBER: parallelisation (Tue Aug 05 2003 - 06:55:31 PDT)
- AMBER: sanderparallel (Mon Aug 04 2003 - 00:41:44 PDT)
- AMBER: sanderparallel (Mon Aug 04 2003 - 00:41:35 PDT)
- AMBER: sanderparallel (Mon Aug 04 2003 - 00:42:22 PDT)
- AMBER: sanderparallel (Mon Aug 04 2003 - 00:40:29 PDT)
- AMBER: sanderparallel (Mon Aug 04 2003 - 00:41:03 PDT)
- AMBER: sanderparallel (Mon Aug 04 2003 - 00:41:13 PDT)
- AMBER: sanderparallel (Mon Aug 04 2003 - 00:39:29 PDT)
- AMBER: sanderparallel (Mon Aug 04 2003 - 00:40:10 PDT)
- AMBER: sanderparallel (Mon Aug 04 2003 - 00:33:14 PDT)
- AMBER: sanderparallel (Mon Aug 04 2003 - 00:32:43 PDT)
- AMBER: sanderparallel (Mon Aug 04 2003 - 00:34:25 PDT)
- AMBER: sanderparallel (Mon Aug 04 2003 - 00:32:48 PDT)
- AMBER: parallelisation (Thu Jul 31 2003 - 23:12:33 PDT)
- AMBER: parallelisation (Thu Jul 31 2003 - 23:13:21 PDT)
Gustavo A. Carri
- AMBER: How to develop parameters for metallic atoms (Mon Aug 11 2003 - 14:11:19 PDT)
Haizhen Zhong
- Re: a bug? Re: AMBER: one more line about the npscal, box size changes and rms (Thu Aug 07 2003 - 10:54:17 PDT)
- AMBER: one more line about the npscal, box size changes and rms (Thu Aug 07 2003 - 07:58:31 PDT)
- AMBER: about the npscal, box size changes and rms (Thu Aug 07 2003 - 07:05:08 PDT)
Heather A.Carlson
- Re: AMBER: MD simulation with ATP and MG (Mon Aug 11 2003 - 05:11:27 PDT)
Helios Chen
- AMBER: prepin file (Mon Aug 18 2003 - 23:53:27 PDT)
- Re: AMBER: charge method of antechamber(it's ok) (Mon Aug 18 2003 - 06:15:28 PDT)
- Re: AMBER: charge method of antechamber (Mon Aug 18 2003 - 05:39:18 PDT)
- AMBER: charge method of antechamber (Sun Aug 03 2003 - 21:00:35 PDT)
Herbert Georg
- Re: AMBER: NTT (Thu Aug 21 2003 - 12:48:17 PDT)
- AMBER: NTT (Thu Aug 21 2003 - 09:31:06 PDT)
- AMBER: GLYCAM (Mon Aug 11 2003 - 13:57:37 PDT)
Holger Gohlke
- Re: AMBER: usability of mm_pbsa with ligand - membrane protein - complex (Thu Aug 28 2003 - 16:01:11 PDT)
- Re: AMBER: Fxnal form of NMR-style restraints (Thu Aug 28 2003 - 15:41:04 PDT)
- Re: AMBER: MM-GB/PBSA:Main-chain/side-chain decomposition in ligands (Mon Aug 18 2003 - 08:50:49 PDT)
- Re: AMBER: secondary structure (Wed Aug 13 2003 - 07:55:22 PDT)
- Re: AMBER: mpi in mm-pbsa (Thu Aug 07 2003 - 12:22:53 PDT)
Ioana Cozmuta
- AMBER: forces estimation (Thu Aug 28 2003 - 11:54:52 PDT)
- AMBER: overlap problem (Mon Aug 18 2003 - 14:26:57 PDT)
- Re: AMBER: question to calculate diffusion coefficient under periodic boundary conditions. (Sun Aug 17 2003 - 20:08:00 PDT)
- Re: AMBER: 2D periodic box (Thu Aug 07 2003 - 10:00:22 PDT)
james tomomi macdonald
- AMBER: problems with pmemd (Fri Aug 22 2003 - 08:37:34 PDT)
- Re: AMBER: pmemd (Mon Aug 18 2003 - 12:52:32 PDT)
- RE: AMBER: large changes in xyz coordinates (Mon Aug 18 2003 - 11:35:18 PDT)
- Re: AMBER: pmemd (Mon Aug 18 2003 - 09:05:20 PDT)
- AMBER: pmemd (Mon Aug 18 2003 - 08:18:47 PDT)
Jian Zhang
- Re: AMBER: parallelisation (Wed Aug 06 2003 - 05:39:22 PDT)
John Bushnell
- RE: AMBER: LEaP not compiling (Wed Aug 27 2003 - 14:56:32 PDT)
- RE: AMBER: Atom type in prepin file - new problem (Wed Aug 13 2003 - 17:01:21 PDT)
Joseph Nachman
- Re: AMBER: simulating a crystal using the unit cell (Thu Aug 14 2003 - 09:01:34 PDT)
Junmei Wang
- Re: AMBER: Antechamber Problem (Thu Aug 28 2003 - 10:16:24 PDT)
- Re: AMBER: "ATTN, need revision" (Thu Aug 28 2003 - 10:06:46 PDT)
- Re: AMBER: Antechamber formal charges with Gasteiger method (Tue Aug 26 2003 - 12:55:14 PDT)
- Re: Re[2]: AMBER: antechamber problem (Fri Aug 22 2003 - 08:03:23 PDT)
- Re: Re[2]: AMBER: antechamber problem (Thu Aug 21 2003 - 13:16:02 PDT)
- Re: AMBER: PARMSET problem (Wed Aug 20 2003 - 11:06:00 PDT)
- Re: AMBER: charge method of antechamber(it's ok) (Mon Aug 18 2003 - 07:26:41 PDT)
- Re: AMBER: Antechamber functionality, MOL2 files (Wed Aug 13 2003 - 09:28:03 PDT)
- Re: AMBER: Antechamber functionality, MOL2 files (Wed Aug 13 2003 - 08:06:47 PDT)
- Re: AMBER: charge method of antechamber (Mon Aug 04 2003 - 07:39:58 PDT)
Karsten Suhre
- Re: AMBER: modelling a Ca binding site (Fri Aug 15 2003 - 02:44:09 PDT)
- AMBER: modelling a Ca binding site (Thu Aug 14 2003 - 02:36:53 PDT)
Krishna Bisetty
- AMBER: AMBER 7_make install (Mon Aug 18 2003 - 00:36:37 PDT)
Kristina Furse
- AMBER: Fxnal form of NMR-style restraints (Thu Aug 28 2003 - 14:41:56 PDT)
- RE: AMBER: large changes in xyz coordinates (Mon Aug 18 2003 - 11:26:27 PDT)
- RE: AMBER: PMEMD and EAMBER (Fri Aug 08 2003 - 11:33:28 PDT)
- RE: AMBER: more than 100,000 atoms ? (Fri Aug 08 2003 - 11:14:10 PDT)
- AMBER: PMEMD and EAMBER (Thu Aug 07 2003 - 13:32:45 PDT)
Layi Adekoya
- AMBER: Hydrogen bond plot from carnal (Mon Aug 18 2003 - 00:51:51 PDT)
- AMBER: Hydrogen bond plot from carnal (Fri Aug 15 2003 - 03:16:02 PDT)
Lee, Matthew
- AMBER: Antechamber formal charges with Gasteiger method (Tue Aug 26 2003 - 11:07:14 PDT)
- AMBER: protonation states of small molecules (Fri Aug 15 2003 - 11:33:40 PDT)
Lishan Yao
- AMBER: target MD simulation (Wed Aug 27 2003 - 11:01:46 PDT)
- Re: AMBER: gibbs pmf calculation (Wed Aug 27 2003 - 08:34:02 PDT)
- Re: AMBER: gibbs pmf calculation (Mon Aug 25 2003 - 14:06:29 PDT)
- AMBER: temperature problem (Mon Aug 25 2003 - 06:37:01 PDT)
- Re: AMBER: ptraj problem (Mon Aug 25 2003 - 06:23:10 PDT)
- Re: AMBER: gibbs pmf calculation (Mon Aug 25 2003 - 06:16:03 PDT)
- AMBER: gibbs pmf calculation (Wed Aug 20 2003 - 12:24:29 PDT)
- AMBER: ptraj problem (Tue Aug 19 2003 - 14:08:02 PDT)
- AMBER: ptraj problem (Mon Aug 18 2003 - 11:22:43 PDT)
- AMBER: Gibbs pmf calculation (Fri Aug 15 2003 - 08:35:51 PDT)
- Re: AMBER: constant energy simulation (Thu Aug 14 2003 - 08:53:13 PDT)
- Re: AMBER: constant energy simulation (Wed Aug 13 2003 - 09:09:14 PDT)
- Re: AMBER: constant energy simulation (Wed Aug 13 2003 - 08:07:29 PDT)
- Re: AMBER: constant energy simulation (Wed Aug 13 2003 - 06:00:20 PDT)
- Re: AMBER: constant energy simulation (Tue Aug 12 2003 - 15:25:37 PDT)
- AMBER: constant energy simulation (Tue Aug 12 2003 - 12:38:49 PDT)
Luis Gracia
- Re: AMBER: Restrain of dihedral angle! (Fri Aug 01 2003 - 09:14:21 PDT)
Mahadevan Seetharaman
- AMBER: xplor2amber (Sat Aug 02 2003 - 19:34:24 PDT)
- AMBER: xplor2amber (Sat Aug 02 2003 - 19:35:48 PDT)
Majid moghaddam
- AMBER: temperature does not reach to temp0 (Tue Aug 19 2003 - 05:32:43 PDT)
- AMBER: Is NTC=2 correct for minimization when hydrogens are added? (Sat Aug 16 2003 - 01:00:04 PDT)
- AMBER: NTX 5 or 7 after equilibration in constant pressure? (Sat Aug 16 2003 - 00:08:38 PDT)
Marcela Madrid
- AMBER: normal mode analysis (Mon Aug 04 2003 - 11:03:23 PDT)
Marco Aurelio Correia Preto
- RE: AMBER: Restrain of dihedral angle! (Mon Aug 04 2003 - 02:15:22 PDT)
- AMBER: Restrain of dihedral angle! (Fri Aug 01 2003 - 03:59:08 PDT)
Margaret S. Cheung
- Re: AMBER: question to calculate diffusion coefficient under periodic boundary conditions. (Tue Aug 12 2003 - 12:46:24 PDT)
- AMBER: question to calculate diffusion coefficient under periodic boundary conditions. (Tue Aug 12 2003 - 11:56:47 PDT)
Martin Lepsik
- AMBER: MM-GB/PBSA:Main-chain/side-chain decomposition in ligands (Mon Aug 18 2003 - 06:12:51 PDT)
Martin Mucha
- AMBER: minimum image convention mystery (Sat Aug 16 2003 - 13:42:37 PDT)
Mi-Kyung Seo
- AMBER: import pdb file in xleap (Thu Aug 07 2003 - 12:07:17 PDT)
- AMBER: complete pdb structure (Wed Aug 13 2003 - 15:41:52 PDT)
- AMBER: "irstrnt=1"in input file for RESP (Mon Aug 11 2003 - 15:26:30 PDT)
- AMBER: saveamberprep and saveoff in xLeap (Fri Aug 08 2003 - 10:39:37 PDT)
- AMBER: saveamberprep in xLeap (Thu Aug 07 2003 - 20:38:24 PDT)
- AMBER: Insight pdb file in xleap (Thu Aug 07 2003 - 16:09:47 PDT)
Michael Crowley
- Re: AMBER: machine dependent? (Tue Aug 12 2003 - 07:24:58 PDT)
Ming Lei
- RE: AMBER: CARNAL (Mon Aug 25 2003 - 13:12:50 PDT)
- RE: AMBER: CARNAL (Mon Aug 25 2003 - 12:27:42 PDT)
- AMBER: About the limitation of characters on one line in carnal input fi le (Thu Aug 07 2003 - 14:16:26 PDT)
Narang Manpreet Kaur
- AMBER: (no subject) (Tue Aug 05 2003 - 06:55:57 PDT)
Natasja Brooijmans
- Re[2]: AMBER: antechamber problem (Wed Aug 20 2003 - 15:26:58 PDT)
- Re: AMBER: AMBER7 & mpich : (no-attachment version) (Sat Aug 02 2003 - 11:24:59 PDT)
nie beining
- AMBER: what can't I use ibelly? (Thu Aug 28 2003 - 12:30:23 PDT)
- AMBER: Could you please give me an example? Thanks! (Thu Aug 28 2003 - 13:04:00 PDT)
Niko Jukarainen
- RE: AMBER: LEaP not compiling (Wed Aug 27 2003 - 21:58:24 PDT)
- RE: AMBER: LEaP not compiling (Wed Aug 27 2003 - 08:58:52 PDT)
- AMBER: LEaP not compiling (Wed Aug 27 2003 - 07:50:01 PDT)
Norton_AntiVirus_Gateways.cemi.rssi.ru
- Returned mail (Mon Aug 18 2003 - 13:41:55 PDT)
Peter Oelschlaeger
- AMBER: Spartan and AMBER7 (Fri Aug 22 2003 - 19:52:21 PDT)
Pratul K. Agarwal
- Re: AMBER: Comparing PE of different conformations (Thu Aug 07 2003 - 11:21:07 PDT)
- Re: AMBER: Comparing PE of different conformations (Wed Aug 06 2003 - 09:40:16 PDT)
- AMBER: Comparing PE of different conformations (Wed Aug 06 2003 - 09:14:03 PDT)
Qiang Lu
- Re: AMBER: sander minimization (Fri Aug 29 2003 - 14:13:53 PDT)
- Re[2]: AMBER: antechamber problem (Wed Aug 20 2003 - 15:17:30 PDT)
- AMBER: antechamber problem (Wed Aug 20 2003 - 11:56:14 PDT)
- AMBER: nmanal's rvec file (Tue Aug 19 2003 - 16:19:27 PDT)
- Re[2]: AMBER: nmanal's error message (Mon Aug 18 2003 - 17:10:29 PDT)
- AMBER: nmanal's error message (Mon Aug 18 2003 - 15:23:20 PDT)
- Re[2]: AMBER: nmanal in amber7 (Mon Aug 18 2003 - 12:17:30 PDT)
- AMBER: nmanal in amber7 (Mon Aug 18 2003 - 10:41:42 PDT)
- AMBER: tleap under amber6 (Mon Aug 18 2003 - 10:32:05 PDT)
Rhonda Torres
- Re: AMBER: Atom type in prepin file (Wed Aug 13 2003 - 15:38:26 PDT)
- Re: AMBER: Insight pdb file in xleap (Thu Aug 07 2003 - 16:29:47 PDT)
Richard Smith
- RE: AMBER: SHAKE Problem (Thu Aug 07 2003 - 07:42:56 PDT)
- AMBER: SHAKE Problem (Wed Aug 06 2003 - 13:02:30 PDT)
Robert Duke
- AMBER: PMEMD BUG ALERT!!! (Fri Aug 22 2003 - 13:50:02 PDT)
- Re: AMBER: mpprun: exec of '/usr/local/bin/sander7.0' failed: Not enough space (Tue Aug 26 2003 - 18:53:06 PDT)
- Re: AMBER: Questions on Phi, Psi angles produced by pmemd/sander7 (Mon Aug 25 2003 - 14:33:38 PDT)
- AMBER: Apparent PMEMD bug -- NTWPRT > 0 & IWRAP = 1 (Mon Aug 25 2003 - 13:41:08 PDT)
- AMBER: Re: apparent PMEMD bug -- NTWPRT > 0 & IWRAP = 1 (Mon Aug 25 2003 - 12:20:48 PDT)
- Fw: AMBER: Questions on Phi, Psi angles produced by pmemd/sander7 (Sat Aug 23 2003 - 20:44:06 PDT)
- Re: AMBER: Questions on Phi, Psi angles produced by pmemd/sander7 (Sat Aug 23 2003 - 07:41:42 PDT)
- Re: AMBER: Questions on Phi, Psi angles produced by pmemd/sander7 (Sat Aug 23 2003 - 05:41:49 PDT)
- Re: AMBER: problems with pmemd (Fri Aug 22 2003 - 09:45:47 PDT)
- AMBER: PMEMD 3.01 Update available (Wed Aug 20 2003 - 11:36:56 PDT)
- Re: AMBER: pmemd (Mon Aug 18 2003 - 09:51:16 PDT)
- Re: AMBER: pmemd (Mon Aug 18 2003 - 08:45:47 PDT)
- Re: Fw: AMBER: PMEMD and EAMBER (Mon Aug 11 2003 - 06:49:36 PDT)
- AMBER: PMEMD NMR Restraints fix (Fri Aug 08 2003 - 15:13:08 PDT)
- Re: AMBER: PMEMD and EAMBER (Thu Aug 07 2003 - 14:06:11 PDT)
- Re: AMBER: more than 100,000 atoms ? (Thu Aug 07 2003 - 13:33:36 PDT)
- Re: AMBER: PMEMD and sander from AMBER6 performances (Thu Aug 07 2003 - 12:01:39 PDT)
Ross Walker
- AMBER: Reference for Amber7 heme parameters (Fri Aug 08 2003 - 04:41:30 PDT)
Sarah Wittkopp
- Re: AMBER: Problems with extra points on parralellized linux and sgi machine (Mon Aug 18 2003 - 00:33:36 PDT)
- AMBER: Problems with extra points on parralellized linux and sgi machine (Fri Aug 15 2003 - 00:07:11 PDT)
- AMBER: simulating a crystal using the unit cell (Thu Aug 14 2003 - 04:09:07 PDT)
Scott Brozell
- Re: AMBER: import pdb file in xleap (Thu Aug 07 2003 - 16:25:18 PDT)
- Re: AMBER: Re: AMBER7 & mpich : (no-attachment version) (Thu Aug 07 2003 - 00:40:06 PDT)
sd233.georgetown.edu
- AMBER: minimization termination (Tue Aug 19 2003 - 10:40:53 PDT)
- AMBER: ANAL component (Wed Aug 13 2003 - 14:36:56 PDT)
- AMBER: anal - memory problem (Wed Aug 06 2003 - 10:02:44 PDT)
- Re: AMBER: references about AMBER MD simulations (Thu Aug 07 2003 - 08:04:39 PDT)
- AMBER: references about AMBER MD simulations (Wed Aug 06 2003 - 22:23:35 PDT)
Shuang Ding
- AMBER: compile problem? (Tue Aug 05 2003 - 13:51:25 PDT)
- Re: AMBER: machine dependent? (Tue Aug 12 2003 - 11:48:00 PDT)
- Re: AMBER: machine dependent? (Mon Aug 11 2003 - 15:01:38 PDT)
- AMBER: machine dependent? (Mon Aug 11 2003 - 11:39:10 PDT)
- Re: AMBER: mpi in mm-pbsa (Thu Aug 07 2003 - 13:14:53 PDT)
- AMBER: mpi in mm-pbsa (Thu Aug 07 2003 - 10:57:03 PDT)
Sivakolundu, Sivashankar
- RE: AMBER: large changes in xyz coordinates (Mon Aug 18 2003 - 10:51:49 PDT)
- AMBER: large changes in xyz coordinates (Sat Aug 16 2003 - 18:06:14 PDT)
sohail qamar
- AMBER: united atom weiner force field (Mon Aug 18 2003 - 03:46:18 PDT)
Spomer Hooker
- Instantaneously Dig Up Free Money! (Tue Aug 12 2003 - 09:27:34 PDT)
sychen
- Re[2]: AMBER: derive corresponding torsional parameters (Fri Aug 08 2003 - 08:43:43 PDT)
takanori.kanazawa.pharma.novartis.com
- AMBER: AMBER7 & mpich (Sat Aug 02 2003 - 05:17:52 PDT)
- AMBER: Takanori Kanazawa is out of the office. (Mon Aug 11 2003 - 07:29:55 PDT)
- AMBER: Takanori Kanazawa is out of the office. (Mon Aug 11 2003 - 06:29:55 PDT)
- AMBER: Takanori Kanazawa is out of the office. (Mon Aug 11 2003 - 05:28:55 PDT)
- AMBER: Takanori Kanazawa is out of the office. (Mon Aug 11 2003 - 04:27:56 PDT)
- AMBER: Takanori Kanazawa is out of the office. (Mon Aug 11 2003 - 03:28:02 PDT)
- Re: AMBER: Re: AMBER7 & mpich : (no-attachment version) (Wed Aug 06 2003 - 21:11:30 PDT)
- AMBER: Re: AMBER7 & mpich : (no-attachment version) (Mon Aug 04 2003 - 16:51:17 PDT)
- AMBER: AMBER7 & mpich : (no-attachment version) (Sat Aug 02 2003 - 06:03:06 PDT)
Teletchéa Stéphane
- Re: AMBER: PMEMD and sander from AMBER6 performances (Thu Aug 07 2003 - 09:55:03 PDT)
- Re: AMBER: 2D periodic box (Thu Aug 07 2003 - 09:52:01 PDT)
Terry Downing
- AMBER: xleap memory issue (Tue Aug 26 2003 - 17:30:06 PDT)
Thomas E. Cheatham, III
- Re: AMBER: ptraj problem (Wed Aug 20 2003 - 12:00:57 PDT)
- Re: AMBER: question to calculate diffusion coefficient under periodic boundary conditions. (Tue Aug 12 2003 - 12:32:36 PDT)
Thomas Steinbrecher
- AMBER: The FCAP parameter in amber7 (Fri Aug 22 2003 - 02:21:35 PDT)
- AMBER: MD simulation with ATP and MG (Mon Aug 11 2003 - 02:45:08 PDT)
tianxiao yang
- AMBER: water model (Fri Aug 08 2003 - 08:10:04 PDT)
Venkata S Koppuravuri
- AMBER: minimization error (Thu Aug 14 2003 - 11:23:39 PDT)
Vikas Varshney
- Re: AMBER: import pdb file in xleap (Thu Aug 07 2003 - 12:21:32 PDT)
- AMBER: 2D periodic box (Thu Aug 07 2003 - 07:50:20 PDT)
- AMBER: problem regarding surface (Wed Aug 06 2003 - 10:00:09 PDT)
Wayne Dawson
- AMBER: Insight pdb file in xleap (Thu Aug 07 2003 - 19:33:26 PDT)
Wen Li
- AMBER: CARNAL (Mon Aug 25 2003 - 07:30:19 PDT)
Xavier Periole
- Re: AMBER: overlap problem (Tue Aug 19 2003 - 09:23:45 PDT)
- Re: AMBER: minimization error (Thu Aug 14 2003 - 11:38:39 PDT)
- Re: AMBER: modelling a Ca binding site (Thu Aug 14 2003 - 10:07:26 PDT)
- Re: AMBER: constant energy simulation (Tue Aug 12 2003 - 15:39:29 PDT)
- Re: AMBER: constant energy simulation (Tue Aug 12 2003 - 12:51:24 PDT)
- Re: AMBER: SHAKE Problem (Wed Aug 06 2003 - 13:26:05 PDT)
Xiao Jian Tan
- AMBER: PMF calculation with gibbs (Wed Aug 27 2003 - 15:34:16 PDT)
Yichen Cao
- AMBER: PARMSET problem (Wed Aug 20 2003 - 10:07:29 PDT)
Yogesh Sabnis
- AMBER: Problem generating .tpp and .rst files for a complex (Fri Aug 01 2003 - 03:57:07 PDT)
Yong Duan
- RE: AMBER: minimization error (Thu Aug 14 2003 - 13:56:54 PDT)
- RE: AMBER: Insight pdb file in xleap (Thu Aug 07 2003 - 16:35:03 PDT)
- RE: a bug? Re: AMBER: one more line about the npscal, box size changes and rms (Thu Aug 07 2003 - 11:49:39 PDT)
- AMBER: RE: Restrain of dihedral angle! (Fri Aug 01 2003 - 06:27:04 PDT)
- RE: AMBER: Amber parallelisation (Fri Aug 01 2003 - 05:28:31 PDT)
- RE: AMBER: parallelisation (Fri Aug 01 2003 - 05:21:36 PDT)
Yong-Liang Zhu
- AMBER: How to add new atom type. (Thu Aug 14 2003 - 12:49:49 PDT)
- RE: AMBER: Atom type in prepin file - new problem (Wed Aug 13 2003 - 16:05:01 PDT)
- AMBER: Atom type in prepin file (Wed Aug 13 2003 - 15:21:28 PDT)
yuann
- AMBER: derive corresponding torsional parameters (Fri Aug 08 2003 - 03:25:31 PDT)
Yuguang Mu
- AMBER: secondary structure (Wed Aug 13 2003 - 05:37:08 PDT)
Yuhui Cheng
- AMBER: RESP calculation (Wed Aug 27 2003 - 19:04:57 PDT)
- AMBER: Antechamber Problem (Wed Aug 27 2003 - 09:31:43 PDT)
zhaoxc.puccini.che.pitt.edu
- AMBER: mpprun: exec of '/usr/local/bin/sander7.0' failed: Not enough space (Tue Aug 26 2003 - 16:17:00 PDT)

Amber Archive Aug 2003 by author