AMBER Archive (2004) - Apr 2004 By Subject

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About this archive

Starting: Thu Apr 01 2004 - 17:31:49 CST
Ending: Fri Apr 30 2004 - 18:28:57 CDT

a new question
- Viktor Hornak (Mon Apr 12 2004 - 22:02:35 CDT)
AMBER:
- Holger Gohlke (Thu Apr 08 2004 - 09:20:51 CDT)
- Beale, John (Thu Apr 08 2004 - 08:04:04 CDT)
- riccardodesantis_at_fastwebnet.it (Wed Apr 07 2004 - 01:02:57 CDT)
- anshul_at_imtech.res.in (Tue Apr 06 2004 - 16:58:07 CDT)
AMBER: "matrix" in ptraj
- Thomas E. Cheatham, III (Sat Apr 24 2004 - 19:30:34 CDT)
- Sichun Yang (Sat Apr 24 2004 - 18:20:50 CDT)
- Holger Gohlke (Sat Apr 24 2004 - 06:47:41 CDT)
- Sichun Yang (Fri Apr 23 2004 - 20:19:28 CDT)
AMBER: "No radius found for F" error and vdw radii for F in MMPBSA
- Ming Lei (Tue Apr 20 2004 - 10:47:40 CDT)
AMBER: %GIBBS-F-MISMATCH, The parm and coord files disagree on the number of atoms
- David A. Case (Wed Apr 28 2004 - 12:56:10 CDT)
- Jiten (Tue Apr 27 2004 - 21:29:25 CDT)
AMBER: a general question about the mmpbsa method
- a b (Wed Apr 28 2004 - 22:51:00 CDT)
AMBER: Additional note on ld.so.conf vs. LD_LIBRARY_PATH
- Robert Duke (Tue Apr 27 2004 - 17:36:51 CDT)
- David E. Konerding DSD Staff (Tue Apr 27 2004 - 17:11:33 CDT)
- Robert Duke (Tue Apr 27 2004 - 13:29:35 CDT)
AMBER: Alignment tensor for Sander RDCs
- David A. Case (Fri Apr 02 2004 - 11:46:24 CST)
- tim (Fri Apr 02 2004 - 08:47:47 CST)
AMBER: AMBER 7 Installation
- David A. Case (Fri Apr 02 2004 - 19:37:57 CST)
- Ilyas Yildirim (Fri Apr 02 2004 - 17:17:09 CST)
AMBER: Amber 7 on SGI: Sander MPI problem
- Rohn Wood (Wed Apr 14 2004 - 18:48:58 CDT)
- Rohn Wood (Wed Apr 14 2004 - 12:28:17 CDT)
- Tru Huynh (Wed Apr 14 2004 - 07:45:08 CDT)
- David A. Case (Tue Apr 13 2004 - 19:37:04 CDT)
- Rohn Wood (Tue Apr 13 2004 - 17:34:12 CDT)
AMBER: Amber 8 ptraj segmentation fault
- Sivakolundu, Sivashankar (Wed Apr 07 2004 - 00:49:08 CDT)
AMBER: Amber and Linux compilation
- Teletchéa Stéphane (Wed Apr 14 2004 - 10:08:29 CDT)
- Andreas Svrcek-Seiler (Wed Apr 14 2004 - 09:44:21 CDT)
- Raj Badhan (Wed Apr 14 2004 - 09:17:18 CDT)
- Ye Mei (Wed Apr 14 2004 - 08:26:40 CDT)
- Raj Badhan (Wed Apr 14 2004 - 07:54:54 CDT)
- Raj Badhan (Wed Apr 14 2004 - 06:59:34 CDT)
- Ye Mei (Wed Apr 14 2004 - 06:52:55 CDT)
- Raj Badhan (Wed Apr 14 2004 - 06:26:36 CDT)
AMBER: AMBER Gibbs Memory problem
- David A. Case (Tue Apr 27 2004 - 14:04:15 CDT)
- Jiten (Tue Apr 27 2004 - 11:01:09 CDT)
AMBER: amber/pmemd with mpiexec
- Robert Duke (Mon Apr 12 2004 - 09:41:22 CDT)
- Lubos Vrbka (Sun Apr 11 2004 - 09:00:36 CDT)
- Robert Duke (Sat Apr 10 2004 - 12:21:15 CDT)
- Lubos Vrbka (Sat Apr 10 2004 - 11:50:30 CDT)
AMBER: Amber8 compilation error
- Bill Ross (Fri Apr 30 2004 - 15:50:28 CDT)
- Arvind (Fri Apr 30 2004 - 14:50:38 CDT)
- David A. Case (Fri Apr 30 2004 - 13:31:57 CDT)
- Arvind (Fri Apr 30 2004 - 12:04:02 CDT)
AMBER: amber8 performance on linux cluster
- Yong Duan (Tue Apr 27 2004 - 12:47:21 CDT)
- Lubos Vrbka (Tue Apr 27 2004 - 12:26:14 CDT)
- quch quch (Tue Apr 27 2004 - 12:05:45 CDT)
AMBER: amber8 tutorial
- Ross Walker (Sun Apr 04 2004 - 21:45:52 CDT)
- Viktor Hornak (Sun Apr 04 2004 - 21:03:56 CDT)
- Patil, Sachin (Sun Apr 04 2004 - 19:03:20 CDT)
AMBER: ANAL: how can i buld the anal.in file?
- David A. Case (Wed Apr 07 2004 - 10:21:53 CDT)
- riccardodesantis_at_fastwebnet.it (Wed Apr 07 2004 - 01:14:49 CDT)
AMBER: Angle Restraining
- David A. Case (Fri Apr 30 2004 - 10:39:27 CDT)
- Pooja Narang (Fri Apr 30 2004 - 02:17:30 CDT)
AMBER: antechamber bcctype.c typo
- David A. Case (Wed Apr 28 2004 - 16:42:11 CDT)
- Chris Moth (Thu Apr 22 2004 - 07:07:32 CDT)
AMBER: Antechamber compilation error
- David A. Case (Mon Apr 05 2004 - 12:12:05 CDT)
- Arvind (Mon Apr 05 2004 - 11:22:21 CDT)
AMBER: Antechamber compilation: leap error
- Ye Mei (Mon Apr 12 2004 - 06:55:11 CDT)
- Arvind (Mon Apr 12 2004 - 06:05:58 CDT)
AMBER: antechamber: frcmod parameter need revision
- atchara_at_mercury.hec.utah.edu (Mon Apr 05 2004 - 16:11:12 CDT)
AMBER: Antechamber: problems with bcc correction
- David A. Case (Sun Apr 25 2004 - 02:26:59 CDT)
- Oliver Hucke (Fri Apr 23 2004 - 17:08:47 CDT)
AMBER: atomicfluct in ptraj
- Qiang Lu (Wed Apr 14 2004 - 17:06:32 CDT)
- Holger Gohlke (Wed Apr 14 2004 - 14:14:47 CDT)
- Qiang Lu (Wed Apr 14 2004 - 13:12:06 CDT)
AMBER: Bond type in leap
- Bill Ross (Thu Apr 22 2004 - 11:53:33 CDT)
- anshul_at_imtech.res.in (Thu Apr 22 2004 - 14:22:31 CDT)
AMBER: bug of leap?
- Chris Moth (Thu Apr 08 2004 - 11:10:06 CDT)
- Ye Mei (Wed Apr 07 2004 - 21:40:29 CDT)
- Ye Mei (Wed Apr 07 2004 - 21:29:07 CDT)
- Ye Mei (Wed Apr 07 2004 - 21:27:11 CDT)
AMBER: Carnal in Amber7
- Bill Ross (Thu Apr 08 2004 - 13:16:02 CDT)
- Sichun Yang (Wed Apr 07 2004 - 23:03:35 CDT)
AMBER: CHARMM PSF to PRMTOP
- Gabbar Daaku (Thu Apr 29 2004 - 16:42:33 CDT)
AMBER: compile amber8 in linux with ifort
- quch quch (Fri Apr 23 2004 - 16:50:52 CDT)
- Viktor Hornak (Fri Apr 23 2004 - 16:49:49 CDT)
- Ross Walker (Fri Apr 23 2004 - 16:42:39 CDT)
- Ross Walker (Fri Apr 23 2004 - 16:23:21 CDT)
- quch quch (Fri Apr 23 2004 - 16:08:05 CDT)
AMBER: compiling Amber 8
- Bill Ross (Fri Apr 16 2004 - 14:45:06 CDT)
- Bill Ross (Fri Apr 16 2004 - 14:36:44 CDT)
- Ross Walker (Fri Apr 16 2004 - 13:47:36 CDT)
- Beale, John (Fri Apr 16 2004 - 12:23:23 CDT)
- Bill Ross (Tue Apr 13 2004 - 11:38:58 CDT)
- Andreas Svrcek-Seiler (Tue Apr 13 2004 - 04:57:29 CDT)
- Robert Duke (Mon Apr 12 2004 - 09:22:27 CDT)
- Viktor Hornak (Mon Apr 12 2004 - 08:53:29 CDT)
- Beale, John (Mon Apr 12 2004 - 08:44:25 CDT)
AMBER: Creating Parmtop files for NAMD
- Thomas C. Bishop (Wed Apr 14 2004 - 08:49:23 CDT)
- M. L. Dodson (Tue Apr 13 2004 - 20:39:26 CDT)
- Edward Patrick Obrien (Tue Apr 13 2004 - 19:37:52 CDT)
AMBER: Dipole moment changes during MD
- Jiten (Fri Apr 09 2004 - 19:48:03 CDT)
- Ross Walker (Fri Apr 09 2004 - 16:56:48 CDT)
- Jiten (Fri Apr 09 2004 - 13:05:01 CDT)
- Ross Walker (Fri Apr 09 2004 - 11:48:29 CDT)
- Jiten (Thu Apr 08 2004 - 20:31:17 CDT)
AMBER: distance dependent dielectric
- Viktor Hornak (Wed Apr 21 2004 - 07:23:31 CDT)
- anshul_at_imtech.res.in (Wed Apr 21 2004 - 10:30:49 CDT)
AMBER: distance measurement in carnal and ptraj
- Bill Ross (Fri Apr 16 2004 - 13:32:07 CDT)
- David A. Case (Fri Apr 16 2004 - 10:46:04 CDT)
- anshul_at_imtech.res.in (Fri Apr 16 2004 - 15:56:33 CDT)
AMBER: Do we have to optimize the structure in order to do MEP Calculations?
- Ilyas Yildirim (Tue Apr 20 2004 - 18:42:34 CDT)
- David A. Case (Tue Apr 20 2004 - 16:50:42 CDT)
- Ilyas Yildirim (Tue Apr 20 2004 - 15:51:55 CDT)
- David A. Case (Tue Apr 20 2004 - 15:29:47 CDT)
- Ilyas Yildirim (Tue Apr 20 2004 - 15:28:13 CDT)
- Ilyas Yildirim (Tue Apr 20 2004 - 15:13:09 CDT)
- David A. Case (Mon Apr 19 2004 - 16:45:34 CDT)
- Ilyas Yildirim (Mon Apr 19 2004 - 15:35:45 CDT)
AMBER: energy criteria.
- Chris Moth (Fri Apr 30 2004 - 13:03:39 CDT)
- David A. Case (Fri Apr 30 2004 - 10:36:13 CDT)
- anshul_at_imtech.res.in (Fri Apr 30 2004 - 15:51:04 CDT)
AMBER: equilibration does not start with SHAKE
- David A. Case (Fri Apr 09 2004 - 18:16:09 CDT)
- Oliver Hucke (Fri Apr 09 2004 - 17:30:55 CDT)
AMBER: error in antechamber
- David A. Case (Thu Apr 08 2004 - 09:58:42 CDT)
- anshul_at_imtech.res.in (Thu Apr 08 2004 - 12:36:57 CDT)
- David A. Case (Wed Apr 07 2004 - 10:27:43 CDT)
- Ilyas Yildirim (Wed Apr 07 2004 - 08:30:55 CDT)
- anshul_at_imtech.res.in (Wed Apr 07 2004 - 17:49:47 CDT)
AMBER: Error in building a molecule
- anshul_at_imtech.res.in (Mon Apr 05 2004 - 17:01:54 CDT)
AMBER: Error message while testing
- Scott Brozell (Mon Apr 12 2004 - 20:10:30 CDT)
- Alessio Comisso (Wed Apr 07 2004 - 06:53:24 CDT)
AMBER: esp or resp for all_amino94.lib
- FyD (Fri Apr 30 2004 - 18:28:57 CDT)
- Mikyung Seo (Fri Apr 30 2004 - 18:06:54 CDT)
AMBER: Euclidean distances
- Bill Ross (Thu Apr 22 2004 - 11:34:37 CDT)
- Wen Li (Thu Apr 22 2004 - 09:49:45 CDT)
AMBER: free energy perturbation
- David A. Case (Tue Apr 06 2004 - 20:26:37 CDT)
- Herbert Georg (Tue Apr 06 2004 - 12:03:51 CDT)
- Kristina Furse (Tue Apr 06 2004 - 11:53:39 CDT)
- David Smith (Tue Apr 06 2004 - 10:45:06 CDT)
- Herbert Georg (Tue Apr 06 2004 - 10:21:55 CDT)
AMBER: free energy perturbation questions
- hj zou (Sat Apr 17 2004 - 09:38:28 CDT)
AMBER: gaff "ha" atom type
- Oliver Hucke (Wed Apr 21 2004 - 15:38:20 CDT)
AMBER: Gaussian 98 Installation
- Ilyas Yildirim (Thu Apr 08 2004 - 15:52:05 CDT)
AMBER: gibbs calculation
- Carsten Detering (Tue Apr 06 2004 - 13:11:55 CDT)
AMBER: gibbs termination
- David A. Case (Wed Apr 14 2004 - 20:24:10 CDT)
- Bill Ross (Wed Apr 14 2004 - 15:16:50 CDT)
- Carsten Detering (Wed Apr 14 2004 - 14:17:29 CDT)
AMBER: Group in sander
- Chris Moth (Mon Apr 12 2004 - 14:20:37 CDT)
- Thomas E. Cheatham, III (Mon Apr 12 2004 - 14:30:46 CDT)
- Viktor Hornak (Mon Apr 12 2004 - 14:13:15 CDT)
- xiaowei li (Mon Apr 12 2004 - 14:05:29 CDT)
AMBER: how to check metal ion bonding ?
- Bill Ross (Tue Apr 13 2004 - 16:34:52 CDT)
- Oliver Hucke (Tue Apr 13 2004 - 15:28:09 CDT)
- Venkata S Koppuravuri (Tue Apr 13 2004 - 14:13:52 CDT)
AMBER: How to solve these warnings?
- Kristina Furse (Wed Apr 21 2004 - 15:35:57 CDT)
- Bill Ross (Wed Apr 21 2004 - 13:21:30 CDT)
- Jiten (Wed Apr 21 2004 - 07:06:41 CDT)
- Xiao He (Wed Apr 21 2004 - 03:37:40 CDT)
AMBER: how to use mm_pbsa_statistics.pl independently
- Holger Gohlke (Tue Apr 13 2004 - 12:06:43 CDT)
- Chris Moth (Tue Apr 13 2004 - 10:34:26 CDT)
- Jufang Shan (Mon Apr 12 2004 - 21:23:36 CDT)
AMBER: instalation of amber7 on SUN
- David A. Case (Sat Apr 24 2004 - 13:00:40 CDT)
- anshul_at_imtech.res.in (Thu Apr 22 2004 - 11:35:37 CDT)
- David A. Case (Tue Apr 20 2004 - 13:14:58 CDT)
- anshul_at_imtech.res.in (Tue Apr 20 2004 - 21:53:20 CDT)
AMBER: installing amber8 on a dual processor single box
- David A. Case (Fri Apr 02 2004 - 13:39:24 CST)
- Robert Duke (Fri Apr 02 2004 - 12:58:35 CST)
- Carsten Detering (Fri Apr 02 2004 - 12:37:46 CST)
AMBER: Intel fortran compiler and -static switch in older pmemd releases
- Robert Duke (Fri Apr 02 2004 - 15:35:45 CST)
- David E. Konerding DSD Staff (Fri Apr 02 2004 - 15:21:11 CST)
- Robert Duke (Fri Apr 02 2004 - 15:10:49 CST)
AMBER: Intel Fortran Compiler, 7.1 status
- Robert Duke (Mon Apr 19 2004 - 10:32:49 CDT)
AMBER: just sander not run
- David A. Case (Fri Apr 30 2004 - 10:34:47 CDT)
- Helios Chen (Fri Apr 30 2004 - 04:27:45 CDT)
AMBER: loading PDB problem in leap
- Jiten (Sun Apr 18 2004 - 22:57:16 CDT)
- Suwipa saen-oon (Sun Apr 18 2004 - 04:35:35 CDT)
AMBER: Mac OSX xleap compilation
- Mengjuei Hsieh (Fri Apr 02 2004 - 13:46:14 CST)
- Yusuf Abdulghani (Fri Apr 02 2004 - 13:16:14 CST)
- Mengjuei Hsieh (Fri Apr 02 2004 - 01:19:30 CST)
- Sergio Pantano (Fri Apr 02 2004 - 00:32:07 CST)
AMBER: MD for protein-carbohydrate complex
- Bill Ross (Thu Apr 22 2004 - 15:03:54 CDT)
- Mikyung Seo (Thu Apr 22 2004 - 15:03:33 CDT)
AMBER: memory problem in NMODE
- David A. Case (Mon Apr 19 2004 - 19:56:44 CDT)
- xhu1_at_memphis.edu (Mon Apr 19 2004 - 18:43:47 CDT)
- David A. Case (Mon Apr 19 2004 - 16:54:34 CDT)
- xhu1_at_memphis.edu (Mon Apr 19 2004 - 15:06:46 CDT)
AMBER: minimization of GLH
- David A. Case (Mon Apr 05 2004 - 12:06:39 CDT)
- Hailong Lin (Mon Apr 05 2004 - 10:51:47 CDT)
- David A. Case (Mon Apr 05 2004 - 10:26:27 CDT)
- Hailong Lin (Mon Apr 05 2004 - 06:57:31 CDT)
AMBER: mm_pbsa examples; delphi in mm_pbsa
- Holger Gohlke (Mon Apr 26 2004 - 08:11:28 CDT)
- Kazuo Koyano (Thu Apr 22 2004 - 03:34:03 CDT)
AMBER: mm_pbsa question: MAXAT=10000 exceeded
- Holger Gohlke (Thu Apr 29 2004 - 01:42:27 CDT)
- Fang, Jianwen (Wed Apr 28 2004 - 23:48:09 CDT)
AMBER: MOPAC 7 - How to modift the mopac.sh file to run antechamber properly?
- David A. Case (Wed Apr 07 2004 - 10:19:27 CDT)
- Ilyas Yildirim (Tue Apr 06 2004 - 20:25:46 CDT)
- Ilyas Yildirim (Tue Apr 06 2004 - 19:27:31 CDT)
AMBER: more vlimit exceeded problems...
- David A. Case (Wed Apr 07 2004 - 10:06:31 CDT)
- Linda Prengaman (Tue Apr 06 2004 - 21:22:44 CDT)
AMBER: neutral residues
- Mikyung Seo (Mon Apr 26 2004 - 11:33:04 CDT)
- Yong Duan (Mon Apr 26 2004 - 12:25:46 CDT)
- tim (Mon Apr 26 2004 - 09:26:09 CDT)
AMBER: new atom and increase the number of bonds
- Tomas Hrobarik (Fri Apr 16 2004 - 09:01:56 CDT)
AMBER: new leap with old gibbs
- David A. Case (Tue Apr 06 2004 - 19:13:57 CDT)
- Carsten Detering (Tue Apr 06 2004 - 16:48:26 CDT)
- David A. Case (Tue Apr 06 2004 - 16:31:10 CDT)
- Carsten Detering (Tue Apr 06 2004 - 14:16:01 CDT)
AMBER: NMODE
- David A. Case (Fri Apr 09 2004 - 17:46:35 CDT)
- xiaowei li (Fri Apr 09 2004 - 15:20:23 CDT)
AMBER: non-isotropic pressure scaling
- Robert Duke (Sun Apr 18 2004 - 08:44:09 CDT)
- Lubos Vrbka (Wed Apr 14 2004 - 14:21:54 CDT)
- David A. Case (Wed Apr 14 2004 - 11:56:52 CDT)
- Lubos Vrbka (Wed Apr 14 2004 - 11:18:22 CDT)
- David A. Case (Wed Apr 14 2004 - 10:36:52 CDT)
- Lubos Vrbka (Wed Apr 14 2004 - 07:48:59 CDT)
AMBER: non-periodic simulation and box information !!
- Michael Crowley (Wed Apr 21 2004 - 12:32:58 CDT)
- Robert Duke (Wed Apr 21 2004 - 11:04:54 CDT)
- Pradipta Bandyopadhyay (Wed Apr 21 2004 - 10:56:31 CDT)
AMBER: NSNB parameter
- Robert Duke (Sat Apr 24 2004 - 22:05:51 CDT)
- David A. Case (Sat Apr 24 2004 - 15:13:11 CDT)
- Robert Duke (Sat Apr 24 2004 - 09:05:05 CDT)
- Chris Moth (Sat Apr 24 2004 - 07:31:55 CDT)
- Helios Chen (Fri Apr 23 2004 - 22:45:42 CDT)
AMBER: nucgen generated RNA duplex: leap problems
- Bill Ross (Wed Apr 21 2004 - 15:34:40 CDT)
- Arvind (Wed Apr 21 2004 - 15:23:28 CDT)
- Bill Ross (Wed Apr 21 2004 - 13:33:00 CDT)
- David A. Case (Tue Apr 20 2004 - 13:26:17 CDT)
- Skauge Tormod (Tue Apr 20 2004 - 10:03:09 CDT)
- Arvind (Tue Apr 20 2004 - 06:44:37 CDT)
AMBER: Optimizing a structure and the interpretation of it
- Kazuo Koyano (Mon Apr 26 2004 - 00:14:25 CDT)
- Ilyas Yildirim (Sat Apr 24 2004 - 18:08:14 CDT)
AMBER: overlap between HE and OE in GLH
- Hailong Lin (Tue Apr 27 2004 - 09:32:47 CDT)
- Yong Duan (Mon Apr 26 2004 - 12:17:00 CDT)
- Hailong Lin (Mon Apr 26 2004 - 10:49:36 CDT)
- Yong Duan (Mon Apr 26 2004 - 12:24:32 CDT)
- tim (Mon Apr 26 2004 - 09:11:08 CDT)
AMBER: Parameters for ions?
- nie beining (Fri Apr 02 2004 - 12:15:51 CST)
AMBER: parameters for neutral Arg
- Adrian E. Roitberg (Fri Apr 23 2004 - 16:05:03 CDT)
- Mikyung Seo (Fri Apr 23 2004 - 15:51:14 CDT)
AMBER: Parameters for nonpolar contribution to solvation
- Holger Gohlke (Sat Apr 24 2004 - 07:06:34 CDT)
- Thomas Steinbrecher (Fri Apr 23 2004 - 12:48:42 CDT)
AMBER: PARMSCAN
- Sergio Emanuel Galembeck (Mon Apr 26 2004 - 13:29:05 CDT)
AMBER: partition error in shake
- Scott Brozell (Tue Apr 27 2004 - 17:26:44 CDT)
- Guanglei Cui (Fri Apr 23 2004 - 10:18:19 CDT)
AMBER: pbsa
- rluo_at_uci.edu (Thu Apr 15 2004 - 13:14:34 CDT)
- Chenglong Li (Thu Apr 15 2004 - 12:26:51 CDT)
AMBER: PERT.charge problem in xleap
- Helios Chen (Fri Apr 02 2004 - 06:10:54 CST)
AMBER: PMEMD and ifort 8 update
- David A. Case (Tue Apr 27 2004 - 13:52:02 CDT)
- Robert Duke (Tue Apr 27 2004 - 13:08:05 CDT)
AMBER: pmemd and mpich - myrinet
- Lubos Vrbka (Tue Apr 27 2004 - 09:58:25 CDT)
- Lubos Vrbka (Sat Apr 24 2004 - 16:18:11 CDT)
- Robert Duke (Sat Apr 24 2004 - 07:31:59 CDT)
- Lubos Vrbka (Sat Apr 24 2004 - 05:50:02 CDT)
- Lubos Vrbka (Fri Apr 23 2004 - 13:18:36 CDT)
- Robert Duke (Fri Apr 23 2004 - 12:57:48 CDT)
- Lubos Vrbka (Fri Apr 23 2004 - 12:33:32 CDT)
- Robert Duke (Fri Apr 23 2004 - 11:23:37 CDT)
- Lubos Vrbka (Fri Apr 23 2004 - 10:59:31 CDT)
AMBER: PMEMD Problems...
- Robert Duke (Mon Apr 05 2004 - 23:38:58 CDT)
- Jon Gray (Mon Apr 05 2004 - 22:56:47 CDT)
- Robert Duke (Mon Apr 05 2004 - 16:13:24 CDT)
- Jon Gray (Mon Apr 05 2004 - 15:38:23 CDT)
AMBER: PMEMD scaling
- Robert Duke (Sun Apr 25 2004 - 10:24:11 CDT)
- Lubos Vrbka (Sun Apr 25 2004 - 09:07:43 CDT)
AMBER: Problem in loading a PDB file in Leap - Please help me
- Bill Ross (Sat Apr 17 2004 - 14:40:06 CDT)
- Mike (Sat Apr 17 2004 - 12:35:22 CDT)
- Bill Ross (Sat Apr 17 2004 - 00:55:43 CDT)
- Mike (Sat Apr 17 2004 - 00:19:02 CDT)
- tim (Thu Apr 15 2004 - 00:53:41 CDT)
- Mike (Thu Apr 15 2004 - 01:25:07 CDT)
AMBER: protein-carbohydrate complex
- Bill Ross (Thu Apr 22 2004 - 17:39:16 CDT)
- Mikyung Seo (Thu Apr 22 2004 - 17:27:31 CDT)
AMBER: ptraj
- ayongye_at_sunchem.chem.uga.edu (Tue Apr 13 2004 - 10:48:54 CDT)
- pengyo_at_UMDNJ.EDU (Mon Apr 12 2004 - 16:22:26 CDT)
- Thomas E. Cheatham, III (Mon Apr 12 2004 - 15:23:12 CDT)
- pengyo_at_UMDNJ.EDU (Mon Apr 12 2004 - 15:09:22 CDT)
AMBER: ptraj parser
- Viktor Hornak (Wed Apr 07 2004 - 11:20:40 CDT)
- Thomas C. Bishop (Wed Apr 07 2004 - 10:01:15 CDT)
AMBER: ptraj projections help
- Thomas C. Bishop (Mon Apr 19 2004 - 12:41:08 CDT)
AMBER: ptraj-6.5
- cailliez (Thu Apr 15 2004 - 04:42:36 CDT)
AMBER: Question about compiling PMEMD
- Robert Duke (Thu Apr 22 2004 - 07:10:47 CDT)
- Robert Duke (Thu Apr 22 2004 - 06:35:45 CDT)
- Tod Pascal (Thu Apr 22 2004 - 01:29:55 CDT)
- Robert Duke (Wed Apr 21 2004 - 07:27:02 CDT)
- Tod Pascal (Wed Apr 21 2004 - 02:21:40 CDT)
AMBER: question about image
- Thomas E. Cheatham, III (Mon Apr 05 2004 - 11:37:00 CDT)
- pengyo_at_UMDNJ.EDU (Fri Apr 02 2004 - 21:35:06 CST)
- Thomas E. Cheatham, III (Fri Apr 02 2004 - 17:51:01 CST)
- Youyi Peng (Fri Apr 02 2004 - 16:41:36 CST)
AMBER: question about image - truncated octahedron
- Thomas E. Cheatham, III (Mon Apr 05 2004 - 16:21:36 CDT)
- Chris Moth (Sat Apr 03 2004 - 09:22:14 CST)
AMBER: Question on Amber7...
- David A. Case (Tue Apr 06 2004 - 19:25:37 CDT)
- Pmartin (Tue Apr 06 2004 - 16:44:34 CDT)
- David A. Case (Thu Apr 01 2004 - 19:33:30 CST)
- Pmartin (Thu Apr 01 2004 - 17:31:49 CST)
AMBER: question on simulated annealing
- David A. Case (Wed Apr 28 2004 - 11:24:59 CDT)
- Venkata S Koppuravuri (Wed Apr 28 2004 - 11:00:39 CDT)
AMBER: questions about NMODE
- xhu1_at_memphis.edu (Thu Apr 29 2004 - 18:34:08 CDT)
- David A. Case (Thu Apr 29 2004 - 14:03:54 CDT)
- xhu1_at_memphis.edu (Thu Apr 29 2004 - 13:11:41 CDT)
- David A. Case (Wed Apr 28 2004 - 19:21:41 CDT)
- xhu1_at_memphis.edu (Wed Apr 28 2004 - 18:04:04 CDT)
- David A. Case (Wed Apr 28 2004 - 17:24:34 CDT)
- xhu1_at_memphis.edu (Wed Apr 28 2004 - 16:47:18 CDT)
- xhu1_at_memphis.edu (Wed Apr 28 2004 - 12:43:34 CDT)
- David A. Case (Wed Apr 28 2004 - 14:06:01 CDT)
AMBER: rdparm: a parameter array overflowed
- David A. Case (Wed Apr 21 2004 - 12:15:16 CDT)
- Wen Li (Wed Apr 21 2004 - 11:04:17 CDT)
AMBER: Redhat install
- Mengjuei Hsieh (Thu Apr 29 2004 - 23:44:12 CDT)
- scopio (Thu Apr 29 2004 - 19:32:26 CDT)
- David A. Case (Thu Apr 29 2004 - 12:32:33 CDT)
- Helios Chen (Thu Apr 29 2004 - 09:24:17 CDT)
AMBER: respgen
- David A. Case (Wed Apr 07 2004 - 20:20:36 CDT)
- Ilyas Yildirim (Wed Apr 07 2004 - 17:45:33 CDT)
AMBER: restraintmask and ambmask
- Viktor Hornak (Thu Apr 22 2004 - 07:27:38 CDT)
- Oliver Hucke (Wed Apr 21 2004 - 19:17:24 CDT)
AMBER: salt concentration
- tim (Wed Apr 14 2004 - 06:56:52 CDT)
- cailliez (Wed Apr 14 2004 - 09:45:44 CDT)
AMBER: sander + ew_legal.h
- David A. Case (Fri Apr 02 2004 - 19:34:32 CST)
- Carsten Detering (Fri Apr 02 2004 - 19:08:07 CST)
AMBER: scali amber8
- Scott Brozell (Mon Apr 12 2004 - 17:54:42 CDT)
- Guanglei Cui (Mon Apr 12 2004 - 15:02:11 CDT)
AMBER: script on tutorial page
- Thomas E. Cheatham, III (Sat Apr 10 2004 - 15:31:51 CDT)
- Ioana Cozmuta (Fri Apr 09 2004 - 17:03:57 CDT)
- Ross Walker (Thu Apr 08 2004 - 23:21:44 CDT)
- Ioana Cozmuta (Thu Apr 08 2004 - 21:25:50 CDT)
AMBER: Simulation of lipid bilayers
- Greg Jezierski (Tue Apr 20 2004 - 09:41:50 CDT)
AMBER: solvateCap warning
- Chenglong Li (Fri Apr 23 2004 - 12:44:14 CDT)
- Guanglei Cui (Fri Apr 23 2004 - 08:47:49 CDT)
- Helios Chen (Fri Apr 23 2004 - 04:47:25 CDT)
AMBER: Suggestions for newer pentium chips and hyperthreading with PMEMD
- David E. Konerding DSD Staff (Fri Apr 09 2004 - 17:41:57 CDT)
- Ross Walker (Fri Apr 09 2004 - 16:38:18 CDT)
- Robert Duke (Fri Apr 09 2004 - 16:13:59 CDT)
AMBER: Ti of CH3 -> NH2
- David A. Case (Wed Apr 07 2004 - 20:17:30 CDT)
- Carsten Detering (Wed Apr 07 2004 - 17:14:11 CDT)
AMBER: Time to minimize the energy by NMODE
- David A. Case (Wed Apr 14 2004 - 17:54:10 CDT)
- Holger Gohlke (Wed Apr 14 2004 - 14:40:28 CDT)
- xiaowei li (Wed Apr 14 2004 - 13:23:02 CDT)
AMBER: Titratable amino acid termini
- John Mongan (Tue Apr 27 2004 - 18:28:15 CDT)
- Sarah Harris (Tue Apr 27 2004 - 04:43:16 CDT)
AMBER: Turning off non-bond interactions
- Bill Ross (Wed Apr 21 2004 - 13:09:44 CDT)
- Robert Duke (Wed Apr 21 2004 - 11:12:11 CDT)
- david.evans_at_ulsop.ac.uk (Wed Apr 21 2004 - 11:09:26 CDT)
- David A. Case (Wed Apr 21 2004 - 10:54:54 CDT)
- Chris Moth (Wed Apr 21 2004 - 10:58:07 CDT)
- Chris Moth (Wed Apr 21 2004 - 10:00:14 CDT)
- david.evans_at_ulsop.ac.uk (Wed Apr 21 2004 - 03:22:21 CDT)
AMBER: tutorial of Biotin/Streptavidin
- David A. Case (Sat Apr 24 2004 - 15:08:00 CDT)
- Helios Chen (Sat Apr 24 2004 - 08:37:43 CDT)
AMBER: unique atom names
- Chris Moth (Wed Apr 07 2004 - 09:20:11 CDT)
- Chris Moth (Wed Apr 07 2004 - 09:21:50 CDT)
- anshul_at_imtech.res.in (Wed Apr 07 2004 - 18:00:31 CDT)
AMBER: universal recognition of chemicals
- Ross Walker (Mon Apr 26 2004 - 17:35:41 CDT)
- Ioana Cozmuta (Mon Apr 26 2004 - 17:15:55 CDT)
AMBER: Using pbsa
- David A. Case (Tue Apr 20 2004 - 20:26:08 CDT)
- Chenglong Li (Tue Apr 20 2004 - 18:47:34 CDT)
- Thomas Steinbrecher (Tue Apr 20 2004 - 18:16:37 CDT)
AMBER: VS: mmpbsa question
- Holger Gohlke (Fri Apr 30 2004 - 02:47:32 CDT)
- Olayiwola Adekoya (Thu Apr 29 2004 - 04:32:32 CDT)
AMBER: warning about improper dihedral in leap!!
- David A. Case (Thu Apr 08 2004 - 10:09:11 CDT)
- Pradipta Bandyopadhyay (Thu Apr 08 2004 - 06:50:18 CDT)
AMBER: water hole
- Bill Ross (Thu Apr 15 2004 - 13:49:02 CDT)
- Holly Freedman (Wed Apr 14 2004 - 19:32:06 CDT)
- Amber Administration (Wed Apr 14 2004 - 18:59:31 CDT)
- Andreas Svrcek-Seiler (Tue Apr 13 2004 - 05:02:12 CDT)
- Bill Ross (Mon Apr 12 2004 - 20:58:47 CDT)
- Holly Freedman (Mon Apr 12 2004 - 19:39:19 CDT)
- David A. Case (Mon Apr 12 2004 - 19:13:37 CDT)
- Carlos Simmerling (Mon Apr 12 2004 - 17:40:13 CDT)
- Holly Freedman (Mon Apr 12 2004 - 16:43:32 CDT)
AMBER: What kind of informations are needed in a .pdb file in order to start using antechamber?
- Chris Moth (Thu Apr 22 2004 - 07:02:30 CDT)
- Ilyas Yildirim (Wed Apr 21 2004 - 23:51:40 CDT)
AMBER: which atoms are H's for SHAKE?
- Bill Ross (Tue Apr 06 2004 - 15:11:41 CDT)
- Oliver Hucke (Tue Apr 06 2004 - 12:32:12 CDT)
AMBER: WHICH LINUX
- Andreas Svrcek-Seiler (Tue Apr 13 2004 - 10:30:20 CDT)
- Marc Baaden (Tue Apr 13 2004 - 10:20:35 CDT)
- Raj Badhan (Tue Apr 13 2004 - 09:50:52 CDT)
AMBER: which parameters for Ca2+ ?
- cailliez (Tue Apr 06 2004 - 02:50:03 CDT)
AMBER: Why are there LENNARD_JONES_COEF A,B zero
- Dr. Yong Duan (Wed Apr 21 2004 - 10:59:58 CDT)
- David A. Case (Wed Apr 21 2004 - 10:57:26 CDT)
- Dr. Yong Duan (Wed Apr 21 2004 - 09:41:59 CDT)
- Xiao He (Wed Apr 21 2004 - 08:48:06 CDT)
- Jiten (Wed Apr 21 2004 - 08:28:26 CDT)
- Xiao He (Wed Apr 21 2004 - 08:05:49 CDT)
- Dr. Yong Duan (Wed Apr 21 2004 - 07:56:19 CDT)
- Xiao He (Wed Apr 21 2004 - 03:46:29 CDT)
AMBER: xleap bug?
- Ross Walker (Wed Apr 14 2004 - 17:48:18 CDT)
- Carsten Detering (Wed Apr 14 2004 - 17:28:07 CDT)
AMBER: xleap console message
- Bill Ross (Mon Apr 19 2004 - 15:58:05 CDT)
- Guanglei Cui (Mon Apr 19 2004 - 15:48:28 CDT)
- Bill Ross (Mon Apr 19 2004 - 12:28:17 CDT)
- Guanglei Cui (Mon Apr 19 2004 - 12:11:11 CDT)
- David A. Case (Mon Apr 19 2004 - 11:40:46 CDT)
- Guanglei Cui (Mon Apr 19 2004 - 10:06:05 CDT)
AMBER: xleap don't recognize formaldehyde?
- David A. Case (Tue Apr 27 2004 - 13:56:30 CDT)
- scopio (Tue Apr 27 2004 - 09:53:00 CDT)
AMBER: XLeap: head/tail and frcmod
- David A. Case (Mon Apr 12 2004 - 10:15:29 CDT)
- L Jin (Mon Apr 12 2004 - 06:35:47 CDT)

Last message date: Thu May 05 2005 - 14:26:38 CDT
Archived on: Thu May 05 2005 - 14:30:00 CDT

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