AMBER Archive (2003) - May 2003 By Author

Starting: Thu May 01 2003 - 10:46:05 CDT
Ending: Sat May 31 2003 - 11:44:46 CDT

• A. Hungie
  • Re: Etot is not constant in NVE ensemble (Fri May 09 2003 - 11:08:56 CDT)
  • Etot is not constant in NVE ensemble (Fri May 09 2003 - 08:46:43 CDT)
  • minimization with restraints (Tue May 06 2003 - 07:57:22 CDT)
• A.Madhumalar
  • ANAL in AMBER (Tue May 06 2003 - 02:25:05 CDT)
• Andreas Svrcek-Seiler
  • Re: Xleap: 'triangular' and 'square' bond (Thu May 22 2003 - 08:00:58 CDT)
  • Re: Simulation under physiological conditions (Thu May 15 2003 - 11:11:13 CDT)
  • Re: 10-12 H-bond terms (Sat May 10 2003 - 18:13:08 CDT)
• Andrew Petersen
  • Xleap adding torsions (Tue May 20 2003 - 10:32:40 CDT)
• aram joel panay
  • information (Thu May 29 2003 - 22:45:48 CDT)
• Artur Galstyan
  • RESP, constraining Dipole Moment (Mon May 19 2003 - 05:06:51 CDT)
• Arvid Soederhaell
  • non bonded pairlist? (Wed May 07 2003 - 02:34:27 CDT)
• Asif Rahaman
  • help me switching from amber5 to amber6 (Wed May 07 2003 - 19:18:01 CDT)
• Bayly, Christopher
  • RE: parm99 (Thu May 22 2003 - 08:36:18 CDT)
• bishop
  • Re: Etot is not constant in NVE ensemble (Fri May 09 2003 - 14:41:34 CDT)
• cailliez
  • Order parameters (Tue May 27 2003 - 03:25:30 CDT)
  • I still have problems with parm99.dat (Wed May 21 2003 - 08:37:19 CDT)
  • parm99 (Tue May 20 2003 - 07:55:17 CDT)
  • force field parameters for torsions (Mon May 19 2003 - 10:19:36 CDT)
• caldwell_at_heimdal.compchem.ucsf.edu
  • Re: water box distortion (Fri May 23 2003 - 16:21:33 CDT)
  • Re: From Dr. Ekaterina Nikitina (Tue May 20 2003 - 11:27:04 CDT)
  • Re: ptraj generated PDB files (Fri May 16 2003 - 08:07:57 CDT)
  • Re: saveAmberParm problems in xleap (Tue May 06 2003 - 07:45:36 CDT)
• Carlos Simmerling
  • Re: MD problem (Thu May 29 2003 - 15:56:27 CDT)
  • Re: translational and rotational motion (more information) (Thu May 22 2003 - 08:35:13 CDT)
  • Re: rotational and translational motion (Thu May 22 2003 - 07:54:51 CDT)
  • Re: a question about scale factor (Sat May 10 2003 - 23:00:24 CDT)
  • Re: What kind of interactions are ignored for end group interactions (Fri May 09 2003 - 16:07:26 CDT)
  • Re: 2 questions (Fri May 09 2003 - 06:08:51 CDT)
  • Re: RMSD fluctuation too much (Thu May 08 2003 - 10:26:41 CDT)
  • Re: MD steps limit in sander (Amber 6) (Wed May 07 2003 - 10:51:01 CDT)
  • Re: minimization with restraints (Tue May 20 2003 - 08:42:43 CDT)
  • Re: can not minimize (Mon May 05 2003 - 07:00:04 CDT)
  • Re: initial velocity (Fri May 02 2003 - 09:20:09 CDT)
  • Re: problem on MD simulation of damage DNA (Thu May 01 2003 - 15:20:02 CDT)
  • Re: problem about virtual box? (Thu May 01 2003 - 10:46:05 CDT)
• Charles Laughton
  • Re: force field parameters for torsions (I am away) (Mon May 19 2003 - 12:49:32 CDT)
• Chen, Ya
  • Does Anyone Have a Working MACHINE File for Solaris/SPARC? (Wed May 28 2003 - 12:30:53 CDT)
• chernhoe
  • clustering trajectories (Wed May 28 2003 - 22:19:41 CDT)
• Christian Gossens
  • Xleap: 'triangular' and 'square' bond (Thu May 22 2003 - 05:58:51 CDT)
• darden
  • Re: Etot is not constant in NVE ensemble (Fri May 09 2003 - 18:20:24 CDT)
  • Re: Etot is not constant in NVE ensemble (Fri May 09 2003 - 09:38:53 CDT)
  • Re: Ewald: coeff, error estimate (Thu May 01 2003 - 16:30:48 CDT)
• David A. Case
  • Re: water box distortion (Fri May 23 2003 - 18:13:40 CDT)
  • Re: Questions about statistics output of mm_pbsa? (Thu May 22 2003 - 19:32:15 CDT)
  • Re: Please help on xleap: FATAL ERROR (Thu May 22 2003 - 19:25:07 CDT)
  • Re: Hybdrogen bonds and LJ 10-12 (Thu May 22 2003 - 12:21:18 CDT)
  • Re: From Dr. Ekaterina Nikitina (Thu May 22 2003 - 12:16:58 CDT)
  • Re: Minimization problem w/ counter-ion ! (Thu May 22 2003 - 11:51:28 CDT)
  • Re: parm99 (Tue May 20 2003 - 17:37:32 CDT)
  • Re: off-diagonal VDW term (Tue May 20 2003 - 09:43:33 CDT)
  • Re: Calcium in proteins (Tue May 20 2003 - 09:40:06 CDT)
  • Re: Fluorine atom type in mm_pbsa? (Tue May 20 2003 - 09:30:53 CDT)
  • Re: force field parameters for torsions (Mon May 19 2003 - 12:44:27 CDT)
  • Re: anal, amber7 and resnum 0 (Fri May 16 2003 - 16:57:33 CDT)
  • Re: using distance restraints in Sander (AIX 4.3 RS6000) (Fri May 16 2003 - 15:42:18 CDT)
  • Re: ptraj generated PDB files (Fri May 16 2003 - 10:43:34 CDT)
  • Re: protonate problem (Wed May 14 2003 - 13:36:04 CDT)
  • Re: A question about AMBER, leaprc.ff02EP (Wed May 14 2003 - 01:26:56 CDT)
  • Re: Sander help (Tue May 13 2003 - 19:51:12 CDT)
  • Re: parameters for nitro group (Tue May 13 2003 - 11:45:02 CDT)
  • Re: Heat of Vaporization (Tue May 13 2003 - 10:12:41 CDT)
  • Re: Simple question about sander parameter set (Tue May 13 2003 - 10:00:22 CDT)
  • Re: 10-12 H-bond terms (Mon May 12 2003 - 16:58:52 CDT)
  • Re: ANAL in AMBER (Fri May 09 2003 - 11:11:33 CDT)
  • Re: 2 questions (Fri May 09 2003 - 10:54:41 CDT)
  • Re: current AMBER citation? (Thu May 08 2003 - 10:16:13 CDT)
  • Re: help me switching from amber5 to amber6 (Wed May 07 2003 - 19:59:54 CDT)
  • minimizaiton in vacuum (Mon May 05 2003 - 11:01:16 CDT)
  • Re: Latest Leap Compile Errors (Sun May 04 2003 - 16:02:05 CDT)
  • Re: Residual dipolar couplings (Fri May 02 2003 - 12:21:53 CDT)
  • Re: Simple math of memory calculation for nmode (Thu May 01 2003 - 19:23:06 CDT)
• Dodi Heryadi
  • Re: Increase lastist in the &cntrl namelist (Tue May 13 2003 - 15:14:25 CDT)
• Donald Keidel
  • Help with Sander test output error (Fri May 02 2003 - 12:38:11 CDT)
• Fabian Boes
  • ptraj generated PDB files (Fri May 16 2003 - 09:01:38 CDT)
  • unit of vlimit? (Mon May 12 2003 - 09:36:25 CDT)
• Fernando Martin
  • Pi-Pi stacking (Tue May 06 2003 - 12:35:45 CDT)
• Francisco Blanco
  • HBOND energies in sander (Sun May 25 2003 - 06:37:52 CDT)
  • IR6 and makeDIST-RST (Sat May 24 2003 - 14:15:29 CDT)
• Frederico.Miranda_at_ibmb.uib.no
  • Phosphorylated Serine Library (Fri May 30 2003 - 03:01:31 CDT)
  • Does Leap has a problem with Isoleucines? (Wed May 28 2003 - 01:28:21 CDT)
• FyD
  • 2 questions (Fri May 09 2003 - 05:02:41 CDT)
• Guanglei Cui
  • Re: MD problem (Thu May 29 2003 - 16:28:07 CDT)
  • Re: MD problem (Thu May 29 2003 - 16:14:14 CDT)
  • Re: saveAmberParm problems in xleap (Tue May 06 2003 - 08:42:13 CDT)
  • Re: can not minimize (Mon May 05 2003 - 09:07:39 CDT)
  • Re: can not minimize (Mon May 05 2003 - 08:42:37 CDT)
• GUILLERMINA L ESTIU
  • Re: water box distortion (Sat May 24 2003 - 10:34:11 CDT)
  • water box distortion (Fri May 23 2003 - 15:36:17 CDT)
  • Re: Increase lastist in the &cntrl namelist (Tue May 13 2003 - 13:37:24 CDT)
  • Increase lastist in the &cntrl namelist (Tue May 13 2003 - 13:16:09 CDT)
• Hai-Long Wang
  • AMD opteron (Tue May 27 2003 - 10:57:39 CDT)
• Holger Gohlke
  • Re: Does Leap has a problem with Isoleucines? (Wed May 28 2003 - 11:14:47 CDT)
  • Re: mm_gbsa question (Tue May 27 2003 - 20:40:36 CDT)
  • Re: Order parameters (Tue May 27 2003 - 14:15:15 CDT)
  • Re: EWALD BOMB (Mon May 26 2003 - 14:58:00 CDT)
  • Re: HBOND energies in sander (Mon May 26 2003 - 12:24:01 CDT)
  • Re: water box distortion (Sat May 24 2003 - 20:26:21 CDT)
  • Re: Questions about statistics output of mm_pbsa? (Thu May 22 2003 - 16:41:32 CDT)
  • Re: bad atom type f(fluorine) in MM-PBSA? (Wed May 21 2003 - 10:49:20 CDT)
  • Re: mm_pbsa with PBCAL = 0 (Fri May 16 2003 - 16:34:41 CDT)
  • Re: atomic positional fluctuation (Thu May 15 2003 - 15:38:07 CDT)
  • Re: SPC/E water model (Sun May 04 2003 - 18:27:01 CDT)
• Huang Zunnan
  • A simple question about offset, want to make sure (Sat May 31 2003 - 11:44:46 CDT)
  • What kind of interactions are ignored for end group interactions (Fri May 09 2003 - 15:41:10 CDT)
• Ioana Cozmuta
  • center command (Fri May 23 2003 - 16:40:50 CDT)
  • Re: non-periodic system (Wed May 21 2003 - 21:47:34 CDT)
  • non-periodic system (Wed May 21 2003 - 17:50:18 CDT)
  • Re: off-diagonal VDW term (Mon May 19 2003 - 20:24:34 CDT)
  • Re: nucgen.dat (Thu May 15 2003 - 15:08:50 CDT)
  • Re: H-O-H angle (Tue May 13 2003 - 23:32:17 CDT)
  • Re: Increase lastist in the &cntrl namelist (Tue May 13 2003 - 15:26:48 CDT)
  • H-O-H angle (Tue May 13 2003 - 15:17:54 CDT)
  • Re: Increase lastist in the &cntrl namelist (Tue May 13 2003 - 13:58:09 CDT)
  • Re: 10-12 H-bond terms (Mon May 12 2003 - 18:32:19 CDT)
  • Re: 10-12 H-bond terms (Mon May 12 2003 - 14:50:40 CDT)
  • 10-12 H-bond terms (Fri May 09 2003 - 17:27:53 CDT)
  • Re: SPC/E water model (Wed May 07 2003 - 03:53:43 CDT)
  • Re: saveAmberParm problems in xleap (Tue May 06 2003 - 15:54:49 CDT)
  • SPC/E model -LJ parameters (Sun May 04 2003 - 16:55:53 CDT)
  • SPC/E water model (Sun May 04 2003 - 16:38:06 CDT)
  • multiple timesteps (Fri May 02 2003 - 17:41:51 CDT)
• Jake Isaacs
  • current AMBER citation? (Thu May 08 2003 - 09:08:38 CDT)
• Javier Cuervo
  • mm_gbsa question (Tue May 27 2003 - 19:49:18 CDT)
  • Calcium in proteins (Mon May 19 2003 - 19:11:54 CDT)
• jaw3_at_cec.wustl.edu
  • coordinate files from carnal (Thu May 29 2003 - 09:13:25 CDT)
• Jean-François Taly
  • translational and rotational motion (more information) (Thu May 22 2003 - 08:25:49 CDT)
  • rotational and translational motion (Thu May 22 2003 - 07:45:18 CDT)
• Jiri Sponer
  • Re: DNA base-step distortion (Mon May 19 2003 - 04:56:00 CDT)
• Jiyoung Heo
  • off-diagonal VDW term (Mon May 19 2003 - 20:01:13 CDT)
• John Bushnell
  • Re: Please help on xleap: FATAL ERROR (Thu May 22 2003 - 21:04:15 CDT)
• Jose Ramon Blas
  • Re: leap complains! (Thu May 22 2003 - 17:03:02 CDT)
• Joseph Maxwell
  • Amber 7.xx installation on FreeBSD (Tue May 20 2003 - 15:27:11 CDT)
• Junmei Wang
  • Re: parm99 (Wed May 21 2003 - 13:30:18 CDT)
• Karl N. Kirschner
  • Heat of Vaporization (Mon May 12 2003 - 09:46:17 CDT)
• kbyun_at_wesleyan.edu
  • Re: DNA base-step distortion (Sun May 18 2003 - 18:43:59 CDT)
  • DNA base-step distortion (Sun May 18 2003 - 14:37:12 CDT)
• Kristina Furse
  • RE: leap complains! (Thu May 22 2003 - 18:17:16 CDT)
• Layi Adekoya
  • leap complains! (Thu May 22 2003 - 06:56:11 CDT)
  • serine/tyrosine in charged states (Wed May 14 2003 - 07:26:55 CDT)
• Lepsa
  • Re: MD input file for MM-PBSA calculations (Mon May 26 2003 - 04:03:02 CDT)
  • Re: Mainchain.dat (Tue May 20 2003 - 08:34:36 CDT)
• Liliana Wroblewska
  • problems with anal in amber7 (Fri May 23 2003 - 16:53:28 CDT)
• Lishan Yao
  • Re: Questions about statistics output of mm_pbsa? (Fri May 23 2003 - 08:31:44 CDT)
  • Re: Questions about statistics output of mm_pbsa? (Fri May 23 2003 - 08:22:07 CDT)
  • Questions about statistics output of mm_pbsa? (Thu May 22 2003 - 16:04:04 CDT)
  • Re: bad atom type f(fluorine) in MM-PBSA? (Wed May 21 2003 - 12:12:17 CDT)
  • bad atom type f(fluorine) in MM-PBSA? (Wed May 21 2003 - 08:29:01 CDT)
  • Re: Fluorine atom type in mm_pbsa? (Tue May 20 2003 - 08:12:04 CDT)
  • Fluorine atom type in mm_pbsa? (Mon May 19 2003 - 16:00:09 CDT)
• Luis Gracia
  • Re: H-O-H angle (Tue May 13 2003 - 16:46:05 CDT)
• M. L. Dodson
  • Re: Amber 7.xx installation on FreeBSD (Tue May 20 2003 - 16:19:21 CDT)
• Mahadevan Seetharaman
  • water residence time analysis (Tue May 13 2003 - 12:18:14 CDT)
• Margaret Shun Cheung
  • A question of how to choose a appropriate box size for imposing periodic boundary conditions in the simulations. (Fri May 23 2003 - 10:18:39 CDT)
  • Re: Please help on xleap: FATAL ERROR (Fri May 23 2003 - 09:06:10 CDT)
  • Please help on xleap: FATAL ERROR (Thu May 22 2003 - 17:20:42 CDT)
  • a question about constructing a periodic box by PLEP. (Tue May 20 2003 - 10:48:56 CDT)
• Maria Zavodszky
  • nucgen.dat (Thu May 15 2003 - 13:37:14 CDT)
• Masaki Tomimoto
  • RE: Question about BELLY NMODE (Fri May 02 2003 - 10:46:36 CDT)
  • Question about BELLY NMODE (Fri May 02 2003 - 10:30:36 CDT)
  • Simple math of memory calculation for nmode (Thu May 01 2003 - 13:26:08 CDT)
• Maverick
  • Questoin about temperature (Fri May 02 2003 - 00:27:29 CDT)
• McAteer, Kathleen
  • RE: Residual dipolar couplings (Wed May 21 2003 - 12:49:18 CDT)
  • Residual dipolar couplings (Tue May 20 2003 - 16:03:58 CDT)
• Michael Crowley
  • Re: EWALD BOMB (Tue May 27 2003 - 10:45:22 CDT)
  • Re: non-periodic system (Wed May 21 2003 - 18:27:03 CDT)
• Michal Otyepka
  • Hybdrogen bonds and LJ 10-12 (Wed May 21 2003 - 04:49:47 CDT)
  • Re: Simulation under physiological conditions (Thu May 15 2003 - 10:50:44 CDT)
  • Simulation under physiological conditions (Thu May 15 2003 - 10:02:34 CDT)
• Narang Manpreet Kaur
  • (no subject) (Sat May 03 2003 - 00:02:20 CDT)
• Natasja Brooijmans
  • Re: MD input file for MM-PBSA calculations (Sat May 24 2003 - 11:28:39 CDT)
  • Re: initial velocity (Fri May 02 2003 - 09:18:26 CDT)
• Nikitina Ekaterina
  • Re: From Dr. Ekaterina Nikitina (Sun May 25 2003 - 05:26:09 CDT)
• Obdulia Rabal
  • Phosphotyrosine parametrization (Thu May 08 2003 - 02:51:19 CDT)
• Omar Wahab
  • Minimisation - peek_ewald_inpcrd: SHOULD NOT BE HERE (Mon May 12 2003 - 04:49:52 CDT)
• Paula Petrone
  • Ewald: coeff, error estimate (Thu May 01 2003 - 11:05:28 CDT)
• Peng Tao
  • Using GLYCAM in sander with a non-zero 10-12 coefficient (Wed May 14 2003 - 13:54:32 CDT)
  • Re: Simple question about sander parameter set (Tue May 13 2003 - 10:19:50 CDT)
  • Simple question about sander parameter set (Tue May 13 2003 - 09:44:40 CDT)
• pengyo_at_rwja.umdnj.edu
  • atomic positional fluctuation (Thu May 15 2003 - 13:22:25 CDT)
  • Re: problem about virtual box? (Thu May 01 2003 - 11:20:10 CDT)
• Peter Anderson
  • Use of Mg2+ in AMBER 7 (Thu May 08 2003 - 13:55:06 CDT)
• Peter Gannett
  • mm_pbsa and B/Z DNA relative stabilities (Wed May 14 2003 - 06:54:47 CDT)
• Qing Zhang
  • Newton-Raphson minimization for large systems (Wed May 14 2003 - 18:09:07 CDT)
• quch quch
  • antechamber read gaussian file (Thu May 29 2003 - 15:32:10 CDT)
  • antechamber read gaussian file (Thu May 29 2003 - 15:32:14 CDT)
• Robert G. Endres
  • distance-dependent dielectric function (Fri May 23 2003 - 10:44:27 CDT)
  • best force field for Protein+DNA (Fri May 23 2003 - 10:14:51 CDT)
  • Re: mm_pbsa and B/Z DNA relative stabilities (Wed May 14 2003 - 08:36:14 CDT)
• Sameer P. Kawatkar
  • LES analysis tool other than Moil-view (Wed May 28 2003 - 13:21:38 CDT)
  • Problem with CMC/MD (Tue May 20 2003 - 10:35:16 CDT)
• Sanjeev B.S.
  • Re: Amber on SGI with Itanium compilers for linux (Tue May 27 2003 - 08:58:17 CDT)
  • Amber on SGI with Itanium compilers for linux (fwd) (Tue May 27 2003 - 07:21:20 CDT)
  • Re: anal, amber7 and resnum 0 (Fri May 16 2003 - 17:23:04 CDT)
  • anal, amber7 and resnum 0 (Fri May 16 2003 - 17:15:19 CDT)
• Sean Mooney
  • CFP: Informatics Approaches in Structural Genomics at PSB 2004 (Wed May 28 2003 - 10:46:17 CDT)
• Shixiang Yan
  • Re: distance-dependent dielectric function (Fri May 23 2003 - 11:39:04 CDT)
  • re: parameters for nitro group (Tue May 13 2003 - 10:30:49 CDT)
• Shuang Ding
  • Re: MD problem (Thu May 29 2003 - 16:30:54 CDT)
  • Re: MD problem (Thu May 29 2003 - 16:04:22 CDT)
  • MD problem (Thu May 29 2003 - 15:47:20 CDT)
  • problem on MD simulation of damage DNA (Thu May 01 2003 - 15:11:04 CDT)
• smolnar_at_jadeinc.com
  • Latest Leap Compile Errors (Sun May 04 2003 - 06:44:50 CDT)
  • (no subject) (Sat May 03 2003 - 13:19:25 CDT)
• Stephen P. Molnar, Ph.D.
  • Re: Latest Leap Compile Errors (Mon May 05 2003 - 08:18:35 CDT)
• tang kwa
  • Re: EWALD BOMB (Tue May 27 2003 - 10:38:31 CDT)
  • EWALD BOMB (Mon May 26 2003 - 09:27:07 CDT)
  • Mainchain.dat (Mon May 19 2003 - 11:16:12 CDT)
  • Re: minimizaiton in vacuum (Tue May 06 2003 - 07:17:03 CDT)
  • Re: can not minimize (Mon May 05 2003 - 09:45:24 CDT)
  • Re: can not minimize (Mon May 05 2003 - 08:57:40 CDT)
  • Re: can not minimize (Mon May 05 2003 - 08:49:31 CDT)
  • can not minimize (Mon May 05 2003 - 06:57:42 CDT)
• Thomas Cheatham
  • Re: ptraj rdf help (Wed May 21 2003 - 23:12:57 CDT)
  • Re: Etot is not constant in NVE ensemble (Fri May 09 2003 - 10:49:18 CDT)
  • Re: problem about virtual box? (Thu May 01 2003 - 12:07:52 CDT)
• Thomas E. Cheatham, III
  • Re: problem about virtual box? (Thu May 01 2003 - 12:33:49 CDT)
• Thomas Steinbrecher
  • MD input file for MM-PBSA calculations (Sat May 24 2003 - 07:36:43 CDT)
• tianxiao yang
  • Re: ptraj and rdf help (Wed May 21 2003 - 17:54:59 CDT)
  • ptraj rdf help (Wed May 21 2003 - 17:28:26 CDT)
  • Sander help (Tue May 13 2003 - 18:47:17 CDT)
• Tru Huynh
  • Re: AMD opteron (Wed May 28 2003 - 11:52:18 CDT)
  • Re: AMD opteron (Wed May 28 2003 - 08:08:51 CDT)
• Venkata S Koppuravuri
  • protonate problem (Wed May 14 2003 - 12:17:39 CDT)
• Wayne Dawson
  • using distance restraints in Sander (AIX 4.3 RS6000) (Fri May 16 2003 - 03:33:02 CDT)
  • Re: saveAmberParm problems in xleap (Thu May 08 2003 - 04:02:45 CDT)
  • Re: saveAmberParm problems in xleap (Tue May 06 2003 - 12:04:19 CDT)
  • saveAmberParm problems in xleap (Tue May 06 2003 - 03:14:58 CDT)
• wentaofu
  • mm_pbsa with PBCAL = 0 (Fri May 16 2003 - 14:14:42 CDT)
  • upper limited of memory for nmode (Fri May 02 2003 - 19:06:06 CDT)
• X. Tan
  • charge fitting for c-term homocysteine. (Thu May 22 2003 - 21:25:19 CDT)
• Ye Mei
  • about the dielectric (Wed May 28 2003 - 02:57:49 CDT)
  • about the dielectric (Wed May 28 2003 - 02:42:22 CDT)
  • a question about scale factor (Sat May 10 2003 - 21:53:45 CDT)
• Yong Duan
  • RE: MD problem (Thu May 29 2003 - 19:58:21 CDT)
  • RE: about the dielectric (Wed May 28 2003 - 04:24:58 CDT)
  • RE: EWALD BOMB (Mon May 26 2003 - 18:51:22 CDT)
  • RE: non-periodic system (Wed May 21 2003 - 22:24:01 CDT)
  • RE: non-periodic system (Wed May 21 2003 - 22:17:03 CDT)
  • RE: off-diagonal VDW term (Tue May 20 2003 - 02:24:25 CDT)
  • RE: Etot is not constant in NVE ensemble (Fri May 09 2003 - 09:58:25 CDT)
• Youyi Peng
  • no MD output (Mon May 12 2003 - 14:01:47 CDT)
  • RMSD fluctuation too much (Thu May 08 2003 - 10:02:43 CDT)
  • initial velocity (Fri May 02 2003 - 09:22:52 CDT)
  • Re: problem about virtual box? (Thu May 01 2003 - 12:42:47 CDT)
  • problem about virtual box? (Thu May 01 2003 - 10:49:00 CDT)
• yuan bo
  • RMSF problem (Sat May 10 2003 - 04:31:27 CDT)
• yuann
  • difference between iwrap and image? (Sun May 11 2003 - 00:47:23 CDT)
• yuming chen
  • Re: A question about AMBER, leaprc.ff02EP (Wed May 14 2003 - 05:45:11 CDT)
  • A question about AMBER, leaprc.ff02EP (Wed May 14 2003 - 00:17:47 CDT)
• zhaoxc_at_puccini.che.pitt.edu
  • how to set up a carbon nanotube pdb file (Mon May 05 2003 - 16:24:10 CDT)

Last message date: Fri Feb 06 2004 - 10:15:04 CST
Archived on: Thu May 05 2005 - 14:17:44 CDT