Amber Archive Jan 2005: by subject

amber 8 problem
- David A. Case (Mon Jan 31 2005 - 10:37:08 PST)
- Vojtěch Klusák (Mon Jan 24 2005 - 00:13:47 PST)
AMBER: &dipoles in sander
- Cenk Andac (Fri Jan 28 2005 - 11:25:36 PST)
- David A. Case (Fri Jan 28 2005 - 10:21:59 PST)
- Ross Walker (Fri Jan 28 2005 - 10:10:21 PST)
- Cenk Andac (Fri Jan 28 2005 - 02:04:21 PST)
- Ross Walker (Sat Jan 22 2005 - 11:11:54 PST)
- Cenk Andac (Sat Jan 22 2005 - 01:47:50 PST)
- Ross Walker (Fri Jan 21 2005 - 10:26:24 PST)
- Cenk Andac (Fri Jan 21 2005 - 03:59:47 PST)
AMBER: .dat and frcmod files
- Germán Sciaini (Tue Jan 11 2005 - 02:46:03 PST)
- Anthony Fejes (Mon Jan 10 2005 - 14:47:12 PST)
- Ilyas Yildirim (Mon Jan 10 2005 - 14:10:36 PST)
AMBER: about install amber8 on windows
- David A. Case (Fri Jan 07 2005 - 10:59:27 PST)
- xiaowen (Thu Jan 06 2005 - 14:56:53 PST)
AMBER: amber 8 benchmarks dec alpha
- Sergio E. Wong (Mon Jan 24 2005 - 15:54:41 PST)
- Robert Duke (Mon Jan 24 2005 - 14:27:50 PST)
- Sergio E. Wong (Mon Jan 24 2005 - 14:08:14 PST)
AMBER: amber 8 installation
- Robert Duke (Fri Jan 21 2005 - 10:03:42 PST)
- David A. Case (Fri Jan 21 2005 - 09:55:50 PST)
- Stern, Julie (Fri Jan 21 2005 - 09:28:17 PST)
AMBER: amber 8 problem
- Vojtěch Klusák (Mon Jan 31 2005 - 05:01:35 PST)
AMBER: AMBER 8: Freeze AND restrain questions
- Viktor Hornak (Mon Jan 24 2005 - 10:02:53 PST)
- Guillaume Bollot (Mon Jan 24 2005 - 08:19:11 PST)
AMBER: AMBER related employment
- Anthony Fejes (Mon Jan 03 2005 - 17:43:24 PST)
AMBER: AMBER tutorial ambpdb question
- David A. Case (Mon Jan 10 2005 - 19:16:10 PST)
- Ross Walker (Mon Jan 10 2005 - 18:14:49 PST)
- Kara Wald (Mon Jan 10 2005 - 17:33:44 PST)
AMBER: Amber8 installation problems on Sparc/Solaris9
- David A. Case (Tue Jan 18 2005 - 08:48:33 PST)
- Joe Nolan (Tue Jan 18 2005 - 08:17:35 PST)
AMBER: amber8 parallel sander
- Robert Duke (Mon Jan 17 2005 - 10:13:10 PST)
- yen li (Mon Jan 17 2005 - 09:55:26 PST)
- Bill Ross (Wed Jan 12 2005 - 12:12:18 PST)
- Carlos Simmerling (Wed Jan 12 2005 - 07:30:22 PST)
- Robert Duke (Wed Jan 12 2005 - 07:20:40 PST)
- Carlos Simmerling (Wed Jan 12 2005 - 06:03:32 PST)
- yen li (Wed Jan 12 2005 - 05:54:48 PST)
- Robert Duke (Wed Jan 12 2005 - 05:03:05 PST)
- Carlos Simmerling (Wed Jan 12 2005 - 04:38:30 PST)
- yen li (Wed Jan 12 2005 - 02:57:19 PST)
AMBER: AMBER8: compiling under cygwin using lahey fortran
- Rino Ragno (Wed Jan 19 2005 - 14:13:07 PST)
AMBER: Andersen thermostat: target T?
- Arantxa Sanz (Mon Jan 24 2005 - 02:18:05 PST)
- David A. Case (Fri Jan 21 2005 - 16:23:17 PST)
- Arantxa Sanz (Fri Jan 21 2005 - 11:06:01 PST)
AMBER: ANTECHAMBER & DIVCON
- David A. Case (Thu Jan 27 2005 - 17:12:23 PST)
- Julien Michel (Wed Jan 26 2005 - 03:09:05 PST)
- Vineet Pande (Wed Jan 26 2005 - 02:18:17 PST)
AMBER: antechamber error message
- David A. Case (Fri Jan 28 2005 - 14:00:22 PST)
- Yanze Zhang (Thu Jan 27 2005 - 07:02:46 PST)
AMBER: calculating electrostatic potential
- Ilyas Yildirim (Tue Jan 25 2005 - 10:26:32 PST)
- david.evans.ulsop.ac.uk (Tue Jan 25 2005 - 03:24:52 PST)
- Vlad Cojocaru (Tue Jan 25 2005 - 02:59:48 PST)
AMBER: Can someone recommend a tutorial?
- Ross Walker (Thu Jan 20 2005 - 12:37:22 PST)
- Kara Wald (Thu Jan 20 2005 - 12:28:46 PST)
AMBER: carnal - water-mediated HBond
- Jiri Sponer (Sun Jan 23 2005 - 06:52:55 PST)
- Bill Ross (Sat Jan 22 2005 - 20:49:09 PST)
- Sichun Yang (Fri Jan 21 2005 - 14:36:52 PST)
AMBER: collision frequency in GBSA dynamics
- David A. Case (Tue Jan 25 2005 - 14:23:34 PST)
- Giulio Rastelli (Tue Jan 25 2005 - 10:33:33 PST)
AMBER: Compiling AMBER 8 for Mac OSX (Parallel)
- Ross Walker (Wed Jan 19 2005 - 10:23:40 PST)
- Emmanuel Giudice (Mon Jan 17 2005 - 22:09:47 PST)
- nallen.unca.edu (Mon Jan 17 2005 - 09:41:06 PST)
AMBER: Converting prmtop and inpcrd files
- Bill Ross (Tue Jan 18 2005 - 15:43:04 PST)
- Andrew Box (Tue Jan 18 2005 - 15:02:02 PST)
AMBER: Coordinate Superimposition in PTRAJ
- Vineet Pande (Mon Jan 17 2005 - 01:45:20 PST)
- Ross Walker (Sun Jan 16 2005 - 10:59:48 PST)
- Carlos Simmerling (Sun Jan 16 2005 - 06:56:30 PST)
- Vineet Pande (Sun Jan 16 2005 - 03:42:09 PST)
AMBER: Copper library?
- Germán Sciaini (Tue Jan 11 2005 - 02:40:55 PST)
- Cenk Andac (Mon Jan 10 2005 - 10:31:51 PST)
AMBER: Cutoff for anal
- David A. Case (Thu Jan 20 2005 - 11:17:31 PST)
- Harianto (Thu Jan 20 2005 - 09:50:14 PST)
AMBER: D-amino acid prep-files(simple method)
- FyD (Sun Jan 23 2005 - 12:05:38 PST)
- Jagdish Rai (Sun Jan 23 2005 - 06:18:45 PST)
AMBER: details of new aminoacid
- David A. Case (Tue Jan 18 2005 - 08:01:20 PST)
- Gustavo Pierdominici Sottile (Tue Jan 18 2005 - 05:01:15 PST)
AMBER: distance between images
- Thomas E. Cheatham, III (Wed Jan 05 2005 - 09:29:19 PST)
- cailliez (Wed Jan 05 2005 - 02:34:46 PST)
AMBER: distance restraint and file fort.35
- Fabien Cailliez (Mon Jan 17 2005 - 07:58:03 PST)
- Robert Duke (Mon Jan 17 2005 - 06:48:57 PST)
- Fabien Cailliez (Mon Jan 17 2005 - 03:34:00 PST)
AMBER: Dummy Atoms: How to create them?
- David A. Case (Tue Jan 11 2005 - 21:54:02 PST)
- Ilyas Yildirim (Wed Jan 05 2005 - 13:05:22 PST)
- David A. Case (Wed Jan 05 2005 - 09:40:11 PST)
- Ilyas Yildirim (Tue Jan 04 2005 - 19:25:24 PST)
AMBER: dynamics
- David A. Case (Sat Jan 08 2005 - 13:05:53 PST)
- Germán Sciaini (Sat Jan 08 2005 - 11:51:30 PST)
AMBER: eedmeth=5
- Vineet Pande (Sun Jan 23 2005 - 03:46:23 PST)
- David A. Case (Sat Jan 22 2005 - 10:20:22 PST)
- Lihua Wang (Fri Jan 21 2005 - 16:20:59 PST)
AMBER: enhanced sampling methods
- David A. Case (Wed Jan 19 2005 - 12:34:24 PST)
- Vlad Cojocaru (Wed Jan 19 2005 - 10:13:58 PST)
AMBER: error in parallel
- gsmith.ibab.ac.in (Mon Jan 10 2005 - 00:18:51 PST)
AMBER: Error while running resp.
- David A. Case (Tue Jan 25 2005 - 08:43:32 PST)
- praveena moldy (Tue Jan 25 2005 - 06:28:55 PST)
- praveena moldy (Tue Jan 25 2005 - 06:24:01 PST)
AMBER: Floating Exception and installation on Digital Unix.
- M. L. Dodson (Tue Jan 11 2005 - 07:46:45 PST)
- Robert Duke (Tue Jan 11 2005 - 05:18:20 PST)
- anshul.imtech.res.in (Tue Jan 11 2005 - 07:17:32 PST)
- Robert Duke (Sun Jan 09 2005 - 09:54:16 PST)
- anshul.imtech.res.in (Sun Jan 09 2005 - 19:32:11 PST)
AMBER: Floating Exception in sander
- Robert Duke (Fri Jan 07 2005 - 05:15:44 PST)
- anshul.imtech.res.in (Fri Jan 07 2005 - 06:14:12 PST)
- Robert Duke (Wed Jan 05 2005 - 05:55:22 PST)
- anshul.imtech.res.in (Wed Jan 05 2005 - 15:26:20 PST)
AMBER: gaussian output file
- Yanze Zhang (Mon Jan 31 2005 - 09:09:40 PST)
AMBER: GB differences between AMBER7 and AMBER8
- Carlos Simmerling (Tue Jan 18 2005 - 06:08:20 PST)
- Fabien Cailliez (Tue Jan 18 2005 - 05:53:04 PST)
AMBER: General Question about AMBER's Free Energy Perturbation Method
- Chris Moth (Wed Jan 05 2005 - 14:06:33 PST)
AMBER: gold atoms
- Stern, Julie (Tue Jan 25 2005 - 08:53:09 PST)
AMBER: guanidinium chloride
- Nagy, Peter I. (Mon Jan 10 2005 - 09:15:41 PST)
- Monica Civera (Mon Jan 10 2005 - 07:27:38 PST)
AMBER: H-atom types attached to a carbon atom next to carbonyl group
- Vineet Pande (Mon Jan 17 2005 - 12:32:37 PST)
- Takashi Nakamura (Mon Jan 17 2005 - 09:52:56 PST)
AMBER: Hbonds restraints OK but Dihedral restraints not applied
- Bill Ross (Tue Jan 04 2005 - 10:07:49 PST)
- pl (Tue Jan 04 2005 - 05:25:39 PST)
- Carlos Simmerling (Tue Jan 04 2005 - 04:47:03 PST)
- pl (Tue Jan 04 2005 - 03:27:07 PST)
- David A. Case (Mon Jan 03 2005 - 08:34:09 PST)
- pl (Mon Jan 03 2005 - 06:06:48 PST)
AMBER: How can i use AMBER with CHARMM forcefield parameter?
- David A. Case (Thu Jan 06 2005 - 06:23:44 PST)
- 王小清 (Sun Jan 02 2005 - 19:54:25 PST)
AMBER: How to make PDB file by myself
- David A. Case (Tue Jan 25 2005 - 08:40:21 PST)
- Vineet Pande (Tue Jan 25 2005 - 03:06:42 PST)
- Mayumi Haga (Mon Jan 24 2005 - 20:23:32 PST)
AMBER: How to set AMBER parameter files for lipid?
- Xiaoqing Wang (Sun Jan 16 2005 - 17:38:49 PST)
AMBER: how to solvate in TIP5P box
- Ross Walker (Wed Jan 26 2005 - 10:26:22 PST)
- ygao.phase1.unl.edu (Wed Jan 26 2005 - 07:59:43 PST)
AMBER: IGB parameter
- Furse, Kristina Elisabet (Wed Jan 19 2005 - 11:33:13 PST)
- Javier Perez Miron (Wed Jan 19 2005 - 09:09:38 PST)
AMBER: Increasing Volume with ntb=1
- Ross Walker (Thu Jan 27 2005 - 10:13:27 PST)
- Harianto (Thu Jan 27 2005 - 09:49:52 PST)
- Ross Walker (Wed Jan 26 2005 - 14:59:57 PST)
- Harianto (Wed Jan 26 2005 - 15:19:59 PST)
- Ross Walker (Wed Jan 26 2005 - 12:42:13 PST)
- Harianto (Wed Jan 26 2005 - 12:12:29 PST)
AMBER: istart2
- Ross Walker (Mon Jan 10 2005 - 09:18:32 PST)
- gsmith.ibab.ac.in (Mon Jan 10 2005 - 05:14:15 PST)
AMBER: last call for early registrations for "Horizons2005"
- Vlad Cojocaru (Fri Jan 14 2005 - 05:19:00 PST)
AMBER: LEAP
- heddi (Tue Jan 25 2005 - 05:42:36 PST)
AMBER: lipid bilayer membrane force field parameter
- Xiaoqing,Wang (Tue Jan 04 2005 - 01:51:47 PST)
AMBER: lipid parameter file
- Xiaoqing,Wang (Wed Jan 05 2005 - 00:23:07 PST)
AMBER: Manuals need update: protonate -b and -c options gone in Amber 7 and 8
- David A. Case (Mon Jan 31 2005 - 14:56:21 PST)
- Chris Moth (Mon Jan 31 2005 - 13:39:56 PST)
AMBER: MM_PBSA arguments for MM calculations
- Nelson Fonseca (Wed Jan 05 2005 - 03:54:30 PST)
AMBER: mm_pbsa example doesn't run
- Yuuki Komata (Fri Jan 21 2005 - 04:10:48 PST)
AMBER: MM_PBSA fillratio error
- Jiten (Tue Jan 04 2005 - 22:54:35 PST)
- Ray Luo (Mon Jan 03 2005 - 14:28:46 PST)
- Jiten (Mon Jan 03 2005 - 01:36:30 PST)
AMBER: NAN errors
- David A. Case (Tue Jan 25 2005 - 14:09:11 PST)
- Ross Walker (Tue Jan 25 2005 - 13:56:33 PST)
- Venkata S Koppuravuri (Tue Jan 25 2005 - 13:39:45 PST)
AMBER: NCOPY definition
- Ross Walker (Fri Jan 28 2005 - 15:18:05 PST)
- Kenley Barrett (Fri Jan 28 2005 - 14:59:14 PST)
AMBER: new aminoacid
- Ross Walker (Mon Jan 17 2005 - 10:34:05 PST)
- David A. Case (Mon Jan 17 2005 - 09:56:34 PST)
- Gustavo Pierdominici Sottile (Mon Jan 17 2005 - 08:26:32 PST)
AMBER: new tutorial available
- David A. Case (Fri Jan 28 2005 - 16:57:28 PST)
- Difei Wang (Fri Jan 28 2005 - 16:08:59 PST)
- David A. Case (Wed Jan 26 2005 - 09:27:58 PST)
- Julien Michel (Wed Jan 26 2005 - 05:48:55 PST)
- Ilyas Yildirim (Wed Jan 26 2005 - 03:59:16 PST)
- David A. Case (Thu Jan 20 2005 - 11:06:30 PST)
AMBER: nmode calculation
- mingche Pan (Mon Jan 24 2005 - 14:12:13 PST)
- Ross Walker (Mon Jan 24 2005 - 11:13:59 PST)
- mingche Pan (Mon Jan 24 2005 - 07:34:18 PST)
- mingche Pan (Fri Jan 21 2005 - 17:43:32 PST)
AMBER: NSCM
- David A. Case (Sun Jan 02 2005 - 14:35:54 PST)
AMBER: parallel run
- gsmith.ibab.ac.in (Tue Jan 11 2005 - 02:27:20 PST)
AMBER: parametrization problem
- Vineet Pande (Sat Jan 15 2005 - 03:15:39 PST)
- Ross Walker (Fri Jan 14 2005 - 14:39:12 PST)
AMBER: PB dynamics
- David A. Case (Wed Jan 12 2005 - 09:26:19 PST)
- Nelson Fonseca (Wed Jan 12 2005 - 02:06:33 PST)
AMBER: PBCAL=0. Problems in MM/PBSA
- Holger Gohlke (Thu Jan 13 2005 - 23:31:45 PST)
- Javier Perez Miron (Thu Jan 13 2005 - 12:41:29 PST)
AMBER: PBSA residual and pairwise decompostion
- Jiten (Tue Jan 25 2005 - 05:43:38 PST)
AMBER: plane definition in ptraj
- Vlad Cojocaru (Fri Jan 28 2005 - 10:00:23 PST)
AMBER: pmemd and distance restraint
- Robert Duke (Thu Jan 20 2005 - 19:12:17 PST)
- Robert Duke (Thu Jan 20 2005 - 04:41:30 PST)
- Fabien Cailliez (Thu Jan 20 2005 - 02:39:20 PST)
AMBER: pmemd and restraints
- Robert Duke (Thu Jan 27 2005 - 05:15:00 PST)
- Fabien Cailliez (Thu Jan 27 2005 - 01:01:31 PST)
- Robert Duke (Wed Jan 26 2005 - 09:45:01 PST)
- Filip Lankas (Wed Jan 26 2005 - 09:01:50 PST)
AMBER: Problem in ptraj
- Furse, Kristina Elisabet (Mon Jan 31 2005 - 09:22:21 PST)
- anshul.imtech.res.in (Mon Jan 31 2005 - 14:23:30 PST)
AMBER: problem runing parallel (REM) on tru64
- Sergio E. Wong (Sat Jan 22 2005 - 12:44:23 PST)
- David A. Case (Sat Jan 22 2005 - 10:25:55 PST)
- Sergio E. Wong (Fri Jan 21 2005 - 16:22:26 PST)
AMBER: Problem with computing Resp charges using RED
- FyD (Sat Jan 01 2005 - 11:51:12 PST)
- Cenk Andac (Sat Jan 01 2005 - 06:08:24 PST)
AMBER: problem with position restraints (refc file)
- pl (Wed Jan 19 2005 - 03:47:18 PST)
- Carlos Simmerling (Tue Jan 18 2005 - 09:36:55 PST)
- pl (Tue Jan 18 2005 - 09:13:17 PST)
- Carlos Simmerling (Tue Jan 18 2005 - 08:03:03 PST)
- pl (Tue Jan 18 2005 - 07:25:27 PST)
AMBER: problem with pressure equilibration
- Cenk Andac (Fri Jan 28 2005 - 11:18:02 PST)
- Ross Walker (Thu Jan 27 2005 - 14:45:20 PST)
- Cenk Andac (Thu Jan 27 2005 - 14:23:59 PST)
AMBER: Problem with restart file
- Guanglei Cui (Thu Jan 13 2005 - 07:40:14 PST)
- Melinda Layten (Thu Jan 13 2005 - 06:53:42 PST)
- Azira Muhamad (Wed Jan 12 2005 - 23:45:30 PST)
AMBER: Problems with xLEaP
- Kara Di Giorgio (Fri Jan 28 2005 - 16:48:52 PST)
- Ross Walker (Fri Jan 28 2005 - 16:29:10 PST)
- Kara Di Giorgio (Fri Jan 28 2005 - 16:18:44 PST)
- Kara Di Giorgio (Fri Jan 28 2005 - 16:14:02 PST)
- Bill Ross (Fri Jan 28 2005 - 14:26:12 PST)
- Ross Walker (Fri Jan 28 2005 - 14:19:52 PST)
- Kara Di Giorgio (Fri Jan 28 2005 - 14:04:14 PST)
AMBER: protonate
- myang (Tue Jan 18 2005 - 08:07:12 PST)
- David A. Case (Fri Jan 14 2005 - 10:36:35 PST)
- Gustavo Pierdominici Sottile (Fri Jan 14 2005 - 10:05:49 PST)
AMBER: ptraj analysis
- Holger Gohlke (Wed Jan 19 2005 - 23:28:27 PST)
- David A. Case (Wed Jan 19 2005 - 12:24:58 PST)
- Thomas E. Cheatham, III (Wed Jan 19 2005 - 10:16:17 PST)
AMBER: pucker: deatails about pucker calculation
- Vlad Cojocaru (Fri Jan 28 2005 - 07:13:13 PST)
AMBER: QM/MM with pmemd
- Ping Lin (Tue Jan 11 2005 - 11:08:45 PST)
AMBER: Question about TI integral method
- David A. Case (Sun Jan 23 2005 - 22:41:26 PST)
- tanc.uci.edu (Sun Jan 23 2005 - 02:01:33 PST)
AMBER: question about xwin load pdb file
- Ross Walker (Fri Jan 28 2005 - 10:20:18 PST)
- xiaowen (Fri Jan 28 2005 - 08:48:28 PST)
- Ross Walker (Thu Jan 27 2005 - 21:38:30 PST)
- xiaowen (Thu Jan 27 2005 - 21:04:57 PST)
AMBER: Questions about sander.QMMM
- Cenk Andac (Sat Jan 08 2005 - 01:57:22 PST)
- Ross Walker (Fri Jan 07 2005 - 11:38:29 PST)
- M. L. Dodson (Fri Jan 07 2005 - 08:45:45 PST)
- M. L. Dodson (Fri Jan 07 2005 - 08:26:25 PST)
- Cenk Andac (Fri Jan 07 2005 - 07:51:56 PST)
AMBER: recompiling problem on IBM aix
- David A. Case (Fri Jan 07 2005 - 11:03:30 PST)
- Yuuki A. Komata (Thu Jan 06 2005 - 18:35:46 PST)
AMBER: replica exchange trouble with unit 6
- Yuuki Komata (Thu Jan 27 2005 - 17:27:50 PST)
- Carlos Simmerling (Thu Jan 27 2005 - 07:10:20 PST)
- Yuuki Komata (Thu Jan 27 2005 - 06:39:03 PST)
AMBER: RMS fluctuations along modes obtained from PCA
- Holger Gohlke (Wed Jan 19 2005 - 06:51:10 PST)
- Majid moghaddam (Mon Jan 17 2005 - 05:47:56 PST)
AMBER: Sander and NMODE energy minimization
- David A. Case (Sun Jan 02 2005 - 14:47:28 PST)
- fangyu liang (Sat Jan 01 2005 - 21:53:49 PST)
AMBER: sander failure
- Asim Okur (Thu Jan 20 2005 - 14:50:25 PST)
- Ross Walker (Thu Jan 20 2005 - 14:47:34 PST)
- ygao.phase1.unl.edu (Thu Jan 20 2005 - 14:31:37 PST)
- Ross Walker (Thu Jan 20 2005 - 14:26:58 PST)
- Carlos Simmerling (Thu Jan 20 2005 - 14:20:00 PST)
- ygao.phase1.unl.edu (Thu Jan 20 2005 - 14:09:56 PST)
- Ross Walker (Thu Jan 20 2005 - 14:04:32 PST)
- ygao.phase1.unl.edu (Thu Jan 20 2005 - 13:46:56 PST)
AMBER: sander free energy calculation
- Cai, Yufeng (Tue Jan 11 2005 - 11:47:03 PST)
AMBER: Sander Replica Exchange exits with unit 6 error
- Jordi Rodrigo (Tue Jan 25 2005 - 06:28:13 PST)
- Jordi Rodrigo (Tue Jan 18 2005 - 06:46:27 PST)
- Guanglei Cui (Mon Jan 17 2005 - 11:31:07 PST)
- Carlos Simmerling (Mon Jan 17 2005 - 09:17:56 PST)
- Jordi Rodrigo (Mon Jan 17 2005 - 06:57:53 PST)
- Guanglei Cui (Mon Jan 17 2005 - 08:09:03 PST)
- Jordi Rodrigo (Mon Jan 17 2005 - 05:25:14 PST)
- Carlos Simmerling (Mon Jan 17 2005 - 06:45:56 PST)
- Jordi Rodrigo (Mon Jan 17 2005 - 04:37:00 PST)
AMBER: Sander Replica Exchange exits with unit 6 error]
- Carlos Simmerling (Mon Jan 17 2005 - 05:58:20 PST)
- Jordi Rodrigo (Mon Jan 17 2005 - 00:02:51 PST)
AMBER: Scaling of charges in a polarizable simulation !
- Piotr Cieplak (Wed Jan 19 2005 - 22:56:04 PST)
- Pradipta Bandyopadhyay (Wed Jan 19 2005 - 20:54:13 PST)
- David A. Case (Wed Jan 19 2005 - 12:11:08 PST)
- Piotr Cieplak (Wed Jan 19 2005 - 10:14:05 PST)
- Pradipta Bandyopadhyay (Wed Jan 19 2005 - 08:02:37 PST)
AMBER: skip snapshots with ptraj in amber 8.0
- Eric Hu (Mon Jan 31 2005 - 17:08:26 PST)
- Guanglei Cui (Mon Jan 31 2005 - 14:19:27 PST)
- Eric Hu (Mon Jan 31 2005 - 11:30:58 PST)
AMBER: SO4 prep file
- scopio (Tue Jan 18 2005 - 04:57:29 PST)
- Jagdish Rai (Tue Jan 18 2005 - 04:36:42 PST)
AMBER: some question about MM-PBSA
- scopio (Thu Jan 20 2005 - 07:10:39 PST)
AMBER: Steered Molecular Dynamics with AMBER?
- Anthony Fejes (Wed Jan 05 2005 - 08:26:05 PST)
- Adrian E. Roitberg (Wed Jan 05 2005 - 06:13:10 PST)
- aldo jongejan (Tue Jan 04 2005 - 23:46:44 PST)
- Piotr Cieplak (Tue Jan 04 2005 - 23:29:41 PST)
- David E. Konerding (Tue Jan 04 2005 - 20:44:15 PST)
- Carlos Simmerling (Tue Jan 04 2005 - 14:47:38 PST)
- Rino Ragno (Tue Jan 04 2005 - 14:33:09 PST)
AMBER: sugar pucker with Carnal and ptraj
- Vlad Cojocaru (Fri Jan 28 2005 - 06:56:23 PST)
AMBER: Suspended (tty input)
- Thomas E. Cheatham, III (Thu Jan 20 2005 - 16:09:16 PST)
- Ross Walker (Thu Jan 20 2005 - 15:58:13 PST)
- ygao.phase1.unl.edu (Thu Jan 20 2005 - 15:39:48 PST)
AMBER: system size limit
- David A. Case (Sun Jan 23 2005 - 22:56:30 PST)
- Guanglei Cui (Sun Jan 23 2005 - 21:54:06 PST)
AMBER: test suite possible failures
- David A. Case (Mon Jan 24 2005 - 14:38:21 PST)
- Stern, Julie (Mon Jan 24 2005 - 11:39:42 PST)
AMBER: the DNA conformation after engery minimization using NMODE
- Bill Ross (Mon Jan 10 2005 - 19:56:25 PST)
- Xiaowei (David) Li (Mon Jan 10 2005 - 11:32:26 PST)
AMBER: TI with electrostatic decoupling at sander
- David A. Case (Thu Jan 27 2005 - 17:27:10 PST)
- yipinl.umich.edu (Thu Jan 27 2005 - 09:39:46 PST)
- David A. Case (Wed Jan 26 2005 - 21:51:32 PST)
- yipinl.umich.edu (Wed Jan 26 2005 - 09:19:43 PST)
- David A. Case (Tue Jan 25 2005 - 08:41:36 PST)
- yipinl.umich.edu (Mon Jan 24 2005 - 21:15:43 PST)
AMBER: units
- Germán Sciaini (Thu Jan 13 2005 - 03:35:07 PST)
- Germán Sciaini (Thu Jan 13 2005 - 03:33:16 PST)
- David A. Case (Wed Jan 12 2005 - 09:22:03 PST)
- Monica Civera (Wed Jan 12 2005 - 07:12:19 PST)
AMBER: van der waals parameters
- Carlos Simmerling (Wed Jan 12 2005 - 04:41:31 PST)
- Monica Civera (Wed Jan 12 2005 - 03:42:53 PST)
AMBER: Weighting of different restraint types?
- pl (Mon Jan 10 2005 - 01:27:19 PST)
- David A. Case (Fri Jan 07 2005 - 16:06:37 PST)
- pl (Fri Jan 07 2005 - 05:03:15 PST)
AMBER: What does a crash mean while running a md simulation?
- shuli kang (Mon Jan 24 2005 - 23:35:45 PST)
- Ross Walker (Mon Jan 24 2005 - 22:28:32 PST)
- shuli kang (Mon Jan 24 2005 - 21:58:54 PST)
- Ross Walker (Mon Jan 24 2005 - 11:19:48 PST)
- shuli kang (Sun Jan 23 2005 - 21:56:00 PST)
AMBER:Hydroxy Proline
- S.Sundar Raman (Thu Jan 20 2005 - 01:19:42 PST)
AMBER:idecomp
- 小杉貴洋 (Thu Jan 27 2005 - 03:22:37 PST)

Amber Archive Jan 2005 by subject