AMBER Archive (2009) - Apr 2009 By Subject

593 messages sorted by: [ author ] [ date ] [ thread ]
About this archive

Starting: Wed Apr 01 2009 - 02:26:46 CDT
Ending: Thu Apr 30 2009 - 19:37:17 CDT

[AMBER] (no subject)
- David A. Case (Thu Apr 30 2009 - 15:16:35 CDT)
- Collins Nganou (Thu Apr 30 2009 - 14:34:36 CDT)
- waleed zalloum (Wed Apr 29 2009 - 13:06:44 CDT)
- David A. Case (Wed Apr 29 2009 - 12:56:28 CDT)
- waleed zalloum (Wed Apr 29 2009 - 07:15:12 CDT)
- David A. Case (Fri Apr 03 2009 - 07:17:36 CDT)
- chenquan (Fri Apr 03 2009 - 05:12:14 CDT)
[AMBER] 1-4 vdW, GB MM difference
- David A. Case (Thu Apr 16 2009 - 09:47:55 CDT)
- Jimmy Heimdal (Thu Apr 16 2009 - 06:57:01 CDT)
[AMBER] [qm/mm] qmcharge for acidic a.a. in proteins
- Ross Walker (Tue Apr 14 2009 - 14:45:06 CDT)
- sychen (Tue Apr 14 2009 - 11:33:03 CDT)
[AMBER] a layer of water
- oguz gurbulak (Wed Apr 01 2009 - 02:26:46 CDT)
[AMBER] A question about SMD force constant
- Carlos Simmerling (Tue Apr 07 2009 - 05:32:09 CDT)
- Jackie. J. Shen (Mon Apr 06 2009 - 20:40:13 CDT)
[AMBER] about saltcon
- Carlos Simmerling (Sun Apr 19 2009 - 05:49:57 CDT)
- zgong.hust (Sat Apr 18 2009 - 21:45:53 CDT)
[AMBER] Amber 1.2 tools test suite failure?
- Ross Walker (Sat Apr 11 2009 - 13:00:45 CDT)
- Jim Parker (Sat Apr 11 2009 - 12:41:54 CDT)
[AMBER] Amber and CHARMM summer school
- David A. Case (Thu Apr 16 2009 - 10:04:18 CDT)
[AMBER] Amber FF and Glycam
- Carlos Simmerling (Thu Apr 30 2009 - 13:36:21 CDT)
- Lachele Foley (Lists) (Thu Apr 30 2009 - 12:16:17 CDT)
- Dong Xu (Wed Apr 29 2009 - 20:42:55 CDT)
[AMBER] Amber Installation problem
- ÁÖÅÂ¼º (Thu Apr 23 2009 - 20:35:46 CDT)
- Ross Walker (Thu Apr 23 2009 - 08:16:18 CDT)
- ÁÖÅÂ¼º (Thu Apr 23 2009 - 08:10:42 CDT)
[AMBER] Amber on GPU
- Sasha Buzko (Thu Apr 09 2009 - 19:54:29 CDT)
- Sasha Buzko (Tue Apr 07 2009 - 01:11:24 CDT)
- Ross Walker (Mon Apr 06 2009 - 20:14:07 CDT)
- Sasha Buzko (Mon Apr 06 2009 - 19:56:31 CDT)
[AMBER] amber question
- Vikas Sharma (Sun Apr 26 2009 - 04:56:26 CDT)
- Vikas Sharma (Sun Apr 26 2009 - 04:51:38 CDT)
- Barbault Florent (Sun Apr 26 2009 - 03:48:31 CDT)
- Vikas Sharma (Sun Apr 26 2009 - 01:00:06 CDT)
[AMBER] Amber Sulfate Ion Parameters
- Gary Clark (Thu Apr 23 2009 - 14:55:24 CDT)
- FyD (Thu Apr 23 2009 - 01:07:40 CDT)
- FyD (Thu Apr 23 2009 - 00:18:28 CDT)
- Gary Clark (Wed Apr 22 2009 - 17:31:00 CDT)
[AMBER] Amber with AMOEBA force-field
- Tomasio, Susana (Mon Apr 06 2009 - 08:40:49 CDT)
- Tomasio, Susana (Mon Apr 06 2009 - 08:14:22 CDT)
- David A. Case (Mon Apr 06 2009 - 08:00:47 CDT)
- Wei Zhang (Mon Apr 06 2009 - 07:57:21 CDT)
- Wei Zhang (Mon Apr 06 2009 - 07:55:59 CDT)
- Tomasio, Susana (Mon Apr 06 2009 - 07:52:01 CDT)
- Tomasio, Susana (Mon Apr 06 2009 - 07:49:28 CDT)
- Wei Zhang (Mon Apr 06 2009 - 07:48:28 CDT)
- David A. Case (Mon Apr 06 2009 - 07:47:11 CDT)
- Tomasio, Susana (Mon Apr 06 2009 - 07:41:18 CDT)
[AMBER] amber9 serial compilation issues
- Francesco Pietra (Fri Apr 03 2009 - 17:04:17 CDT)
- David A. Case (Fri Apr 03 2009 - 15:01:02 CDT)
- Francesco Pietra (Fri Apr 03 2009 - 13:38:12 CDT)
[AMBER] AmberTools compilation error
- Marius Retegan (Wed Apr 01 2009 - 15:03:59 CDT)
- Kijeong Kwac (Wed Apr 01 2009 - 14:04:00 CDT)
[AMBER] AmberTools compiling error
- Farly Walsh (Wed Apr 29 2009 - 14:49:27 CDT)
- Ross Walker (Sun Apr 26 2009 - 20:55:06 CDT)
- Farly Walsh (Sun Apr 26 2009 - 19:40:38 CDT)
[AMBER] ambertools failed - SMP IA64
- David A. Case (Thu Apr 16 2009 - 09:10:20 CDT)
- Vijay Manickam Achari (Thu Apr 16 2009 - 08:17:34 CDT)
[AMBER] ambmask question
- Ed Pate (Mon Apr 06 2009 - 23:36:40 CDT)
[AMBER] ambmol2?
- David A. Case (Wed Apr 01 2009 - 08:19:00 CDT)
[AMBER] ANAL problems
- Edward M (Tue Apr 28 2009 - 18:01:34 CDT)
- Bill Ross (Tue Apr 28 2009 - 15:40:59 CDT)
- E.M. (Tue Apr 28 2009 - 15:12:04 CDT)
[AMBER] antechamber & multiple low-energy conformations
- Alessandro Nascimento (Fri Apr 03 2009 - 07:01:39 CDT)
[AMBER] antechamber and wrong net charge with gasteiger method
- David A. Case (Tue Apr 14 2009 - 13:42:14 CDT)
- Alan (Tue Apr 14 2009 - 12:41:30 CDT)
[AMBER] antechamber problems
- Jia Xu (Fri Apr 10 2009 - 09:41:53 CDT)
- Nicholas Musolino (Thu Apr 09 2009 - 13:03:45 CDT)
- David A. Case (Thu Apr 09 2009 - 13:04:51 CDT)
- Jia Xu (Thu Apr 09 2009 - 12:12:44 CDT)
[AMBER] atom numbers
- Vikas Sharma (Tue Apr 21 2009 - 13:36:35 CDT)
- David A. Case (Tue Apr 21 2009 - 12:26:32 CDT)
- Vikas Sharma (Tue Apr 21 2009 - 12:15:07 CDT)
- Vikas Sharma (Tue Apr 21 2009 - 11:58:41 CDT)
- David A. Case (Tue Apr 21 2009 - 10:52:22 CDT)
- Vikas Sharma (Tue Apr 21 2009 - 10:33:12 CDT)
- David A. Case (Tue Apr 21 2009 - 06:54:37 CDT)
- Vikas Sharma (Tue Apr 21 2009 - 06:12:27 CDT)
[AMBER] Atom type error
- Vikas Sharma (Tue Apr 21 2009 - 01:55:24 CDT)
- Vikas Sharma (Mon Apr 20 2009 - 05:46:34 CDT)
- Ross Walker (Sun Apr 19 2009 - 16:23:38 CDT)
- Vikas Sharma (Sun Apr 19 2009 - 13:33:36 CDT)
- David A. Case (Sun Apr 19 2009 - 12:41:11 CDT)
- Vikas Sharma (Sun Apr 19 2009 - 11:50:28 CDT)
- Vikas Sharma (Sun Apr 19 2009 - 11:49:53 CDT)
- Carlos Simmerling (Sun Apr 19 2009 - 06:06:07 CDT)
- nicholus bhattacharjee (Sun Apr 19 2009 - 05:55:37 CDT)
- Vikas Sharma (Sun Apr 19 2009 - 04:48:01 CDT)
[AMBER] atom types in pdb files
- David A. Case (Mon Apr 13 2009 - 15:25:04 CDT)
- Dan Kaps (Mon Apr 13 2009 - 14:29:43 CDT)
- Kristina Furse (Mon Apr 13 2009 - 11:30:05 CDT)
- Dan Kaps (Mon Apr 13 2009 - 09:23:58 CDT)
[AMBER] Averaging simulations
- Carlos Simmerling (Thu Apr 02 2009 - 10:24:28 CDT)
- Naser Alijabbari (Thu Apr 02 2009 - 10:21:41 CDT)
[AMBER] Backbone restraint
- Rilei Yu (Mon Apr 20 2009 - 20:21:09 CDT)
- Jackie. J. Shen (Mon Apr 20 2009 - 20:12:13 CDT)
- Carlos Simmerling (Sat Apr 18 2009 - 06:08:39 CDT)
- Rilei Yu (Fri Apr 17 2009 - 22:29:12 CDT)
- Carlos Simmerling (Fri Apr 17 2009 - 21:35:26 CDT)
- Rilei Yu (Fri Apr 17 2009 - 21:30:38 CDT)
[AMBER] Bad value during integer read by sander
- Collins Nganou (Thu Apr 16 2009 - 10:09:45 CDT)
[AMBER] basepair
- Bala subramanian (Tue Apr 14 2009 - 06:09:21 CDT)
- balaji nagarajan (Fri Apr 10 2009 - 00:30:57 CDT)
[AMBER] Best rms fit for correlation and covariance analysis
- Bill Ross (Tue Apr 28 2009 - 11:57:10 CDT)
- Cihan Aydin (Tue Apr 28 2009 - 00:02:14 CDT)
[AMBER] bintraj and amber 10
- Naser Alijabbari (Sat Apr 25 2009 - 13:47:34 CDT)
- Naser Alijabbari (Thu Apr 23 2009 - 19:37:06 CDT)
- Chris Moth (Thu Apr 23 2009 - 12:46:44 CDT)
- Ross Walker (Thu Apr 23 2009 - 08:31:08 CDT)
- Naser Alijabbari (Wed Apr 22 2009 - 20:05:21 CDT)
- Ross Walker (Wed Apr 22 2009 - 05:59:47 CDT)
- Naser Alijabbari (Wed Apr 22 2009 - 01:31:51 CDT)
[AMBER] calculation of Pi-Pi interaction energy
- Jiri Sponer (Wed Apr 01 2009 - 07:38:49 CDT)
- Jacopo Sgrignani (Wed Apr 01 2009 - 07:24:28 CDT)
- aneesh cna (Wed Apr 01 2009 - 07:01:51 CDT)
[AMBER] chain restrain x TI
- David A. Case (Thu Apr 30 2009 - 13:01:13 CDT)
- Josmar R. da Rocha (Wed Apr 29 2009 - 17:04:52 CDT)
[AMBER] chosing complex in amber
- Vikas Sharma (Tue Apr 14 2009 - 00:18:43 CDT)
[AMBER] compare MMPBSA result
- Ray Luo (Wed Apr 08 2009 - 12:02:41 CDT)
- m m (Wed Apr 08 2009 - 01:28:06 CDT)
[AMBER] constant-pH: appearance of not titrated residues during the Monte Carlo simulation
- David A. Case (Sat Apr 04 2009 - 08:20:28 CDT)
- Therese Malliavin (Wed Apr 01 2009 - 04:06:19 CDT)
[AMBER] Contour plot
- Gustavo Seabra (Thu Apr 02 2009 - 14:47:14 CDT)
- Beale, John (Thu Apr 02 2009 - 14:31:22 CDT)
[AMBER] Could not find angle parameter
- Marius Retegan (Fri Apr 03 2009 - 05:58:47 CDT)
- chenquan (Fri Apr 03 2009 - 05:46:47 CDT)
[AMBER] Counter-ions
- waleed zalloum (Thu Apr 02 2009 - 05:15:12 CDT)
[AMBER] Creating conditions for biased MD
- Francesco Pietra (Wed Apr 22 2009 - 13:01:39 CDT)
- Bill Ross (Wed Apr 22 2009 - 11:19:20 CDT)
- Francesco Pietra (Wed Apr 22 2009 - 05:16:11 CDT)
- Francesco Pietra (Tue Apr 21 2009 - 16:49:14 CDT)
- Carlos Simmerling (Tue Apr 21 2009 - 16:32:09 CDT)
- Francesco Pietra (Tue Apr 21 2009 - 16:29:36 CDT)
- Carlos Simmerling (Tue Apr 21 2009 - 14:44:03 CDT)
- Francesco Pietra (Tue Apr 21 2009 - 13:40:35 CDT)
- Carlos Simmerling (Mon Apr 20 2009 - 13:46:41 CDT)
- Francesco Pietra (Mon Apr 20 2009 - 12:31:52 CDT)
[AMBER] CY3 dye parameters
- Brent Krueger (Sat Apr 25 2009 - 14:33:40 CDT)
- FyD (Sat Apr 25 2009 - 01:04:22 CDT)
- jcmoore_at_student.umass.edu (Thu Apr 23 2009 - 16:42:59 CDT)
[AMBER] deffision
- Nancy (Sat Apr 04 2009 - 09:30:50 CDT)
[AMBER] deffision coefficient
- David A. Case (Mon Apr 06 2009 - 21:16:39 CDT)
- Nancy (Mon Apr 06 2009 - 20:18:32 CDT)
[AMBER] Density in MD simulation
- Ibrahim Moustafa (Fri Apr 17 2009 - 18:26:46 CDT)
- Carlos Simmerling (Fri Apr 17 2009 - 11:10:51 CDT)
- Ibrahim Moustafa (Fri Apr 17 2009 - 11:09:16 CDT)
[AMBER] dipole autocorrelation functions
- aneesh cna (Tue Apr 28 2009 - 01:23:05 CDT)
[AMBER] Disulfide bond
- Wei Zhang (Wed Apr 22 2009 - 10:00:02 CDT)
- quantum_mania_at_yahoo.com (Wed Apr 22 2009 - 00:25:45 CDT)
- Wei Zhang (Tue Apr 21 2009 - 22:30:36 CDT)
- Dong Xu (Tue Apr 21 2009 - 21:41:02 CDT)
- Wei Zhang (Tue Apr 21 2009 - 20:46:19 CDT)
- Dong Xu (Tue Apr 21 2009 - 20:37:46 CDT)
[AMBER] Do I need to modify the cap residues
- Ross Walker (Mon Apr 06 2009 - 23:59:37 CDT)
- nicholus bhattacharjee (Mon Apr 06 2009 - 23:51:22 CDT)
- David A. Case (Mon Apr 06 2009 - 13:57:02 CDT)
- nicholus bhattacharjee (Mon Apr 06 2009 - 12:19:41 CDT)
- Ross Walker (Mon Apr 06 2009 - 12:00:05 CDT)
- nicholus bhattacharjee (Mon Apr 06 2009 - 11:45:20 CDT)
[AMBER] Energy minimisation and NaN
- David A. Case (Mon Apr 13 2009 - 14:28:10 CDT)
- vivek.viv.sharma_at_gmail.com (Mon Apr 13 2009 - 06:55:55 CDT)
[AMBER] Equilibrium bond lengths and angle values
- Dmitri Nilov (Tue Apr 28 2009 - 05:56:38 CDT)
- FyD (Fri Apr 24 2009 - 16:05:42 CDT)
- Dmitri Nilov (Fri Apr 24 2009 - 08:19:56 CDT)
[AMBER] error in MM PBSA
- Vikas Sharma (Sun Apr 05 2009 - 23:27:21 CDT)
- Vikas Sharma (Sun Apr 05 2009 - 01:09:35 CDT)
- David A. Case (Sat Apr 04 2009 - 16:16:42 CDT)
- Hemant Gangwar (Sat Apr 04 2009 - 12:08:08 CDT)
- Vikas Sharma (Sat Apr 04 2009 - 12:06:57 CDT)
[AMBER] error in output file
- Vikas Sharma (Thu Apr 23 2009 - 08:55:20 CDT)
- Vikas Sharma (Thu Apr 23 2009 - 08:33:49 CDT)
- Ross Walker (Thu Apr 23 2009 - 08:28:18 CDT)
- Hemant Kumar (Thu Apr 23 2009 - 07:20:25 CDT)
- Vikas Sharma (Thu Apr 23 2009 - 06:58:24 CDT)
- Carlos Simmerling (Thu Apr 23 2009 - 06:42:02 CDT)
- Vikas Sharma (Thu Apr 23 2009 - 06:39:42 CDT)
[AMBER] ERROR In Restraint file.
- David A. Case (Tue Apr 28 2009 - 19:05:23 CDT)
- Catein Catherine (Tue Apr 28 2009 - 18:32:26 CDT)
- David A. Case (Tue Apr 28 2009 - 11:17:36 CDT)
- Catein Catherine (Tue Apr 28 2009 - 10:27:18 CDT)
- Catein Catherine (Tue Apr 28 2009 - 10:12:34 CDT)
[AMBER] Error in trajin and rms
- Pansy Patel (Thu Apr 02 2009 - 14:25:58 CDT)
- iccy liu (Thu Apr 02 2009 - 14:19:16 CDT)
- Carlos Simmerling (Thu Apr 02 2009 - 14:19:39 CDT)
- Pansy Patel (Thu Apr 02 2009 - 13:58:47 CDT)
[AMBER] error saving prmtop and inpcrd files of complex in MM-PBSA
- Vikas Sharma (Mon Apr 13 2009 - 15:11:07 CDT)
[AMBER] Error with calculation of the potential energy
- Robert Duke (Mon Apr 27 2009 - 14:26:06 CDT)
- Per Jr. Greisen (Mon Apr 27 2009 - 13:57:58 CDT)
- Robert Duke (Mon Apr 27 2009 - 13:46:43 CDT)
- Robert Duke (Mon Apr 27 2009 - 13:25:14 CDT)
- Per Jr. Greisen (Mon Apr 27 2009 - 12:11:32 CDT)
- Carlos Simmerling (Mon Apr 27 2009 - 06:08:47 CDT)
- Per Jr. Greisen (Mon Apr 27 2009 - 06:03:44 CDT)
[AMBER] errors while testing
- Per Jr. Greisen (Wed Apr 08 2009 - 06:06:40 CDT)
- Atro Tossavainen (Tue Apr 07 2009 - 05:18:08 CDT)
- Per Jr. Greisen (Tue Apr 07 2009 - 05:00:19 CDT)
[AMBER] explicit ion with igb=1
- Carlos Simmerling (Thu Apr 02 2009 - 08:53:54 CDT)
- Bala subramanian (Thu Apr 02 2009 - 08:39:10 CDT)
[AMBER] Failure to compile amber9 serial ifort gcc
- Francesco Pietra (Thu Apr 02 2009 - 11:00:46 CDT)
- Ross Walker (Thu Apr 02 2009 - 10:45:19 CDT)
- Francesco Pietra (Thu Apr 02 2009 - 06:16:36 CDT)
- Alessandro Nascimento (Wed Apr 01 2009 - 06:09:42 CDT)
- Francesco Pietra (Wed Apr 01 2009 - 06:04:18 CDT)
[AMBER] Failures of tests
- Per Jr. Greisen (Thu Apr 09 2009 - 07:52:32 CDT)
- Atro Tossavainen (Wed Apr 08 2009 - 17:43:08 CDT)
- Per Jr. Greisen (Wed Apr 08 2009 - 11:17:16 CDT)
- Seetin, Matthew (Wed Apr 08 2009 - 10:57:27 CDT)
- Per Jr. Greisen (Wed Apr 08 2009 - 10:41:34 CDT)
[AMBER] faulty .rst file with "************" signs for the coordinates of a certain molecule.
- Soni Mufaddal Saifee (Tue Apr 07 2009 - 23:19:25 CDT)
- Carlos Simmerling (Mon Apr 06 2009 - 05:07:09 CDT)
- Soni Mufaddal Saifee (Mon Apr 06 2009 - 04:07:51 CDT)
[AMBER] FF Parameters Transformations ...?
- Marek Malý (Mon Apr 06 2009 - 15:03:58 CDT)
- Karl Kirschner (Mon Apr 06 2009 - 02:39:31 CDT)
- Marek Malý (Wed Apr 01 2009 - 12:29:26 CDT)
[AMBER] fillratio error in mmpbsa
- Ray Luo (Wed Apr 01 2009 - 14:24:20 CDT)
- Han Ming (Wed Apr 01 2009 - 10:06:08 CDT)
- m m (Wed Apr 01 2009 - 06:42:45 CDT)
[AMBER] Flexible ring simulation
- Dong Xu (Tue Apr 21 2009 - 18:04:55 CDT)
[AMBER] force fields
- Gustavo Seabra (Wed Apr 15 2009 - 07:43:49 CDT)
- Ross Walker (Wed Apr 08 2009 - 19:36:05 CDT)
- Mark M Huntress (Wed Apr 08 2009 - 19:23:38 CDT)
[AMBER] Fwd: yacc parser
- Francesco Pietra (Wed Apr 01 2009 - 15:53:01 CDT)
[AMBER] Generate AM1-CM2 charges using antechamber
- Sishi Tang (Fri Apr 03 2009 - 17:36:46 CDT)
[AMBER] hbond-error in amber9
- Alessandro S. Nascimento (Thu Apr 30 2009 - 05:46:02 CDT)
- balaji nagarajan (Wed Apr 29 2009 - 21:09:17 CDT)
[AMBER] hbond_ptraj_eror
- balaji nagarajan (Wed Apr 15 2009 - 01:53:29 CDT)
[AMBER] help regarding force fields
- Vikas Sharma (Fri Apr 17 2009 - 01:06:32 CDT)
[AMBER] help regarding step size
- Vikas Sharma (Wed Apr 22 2009 - 23:40:33 CDT)
- Carlos Simmerling (Wed Apr 22 2009 - 06:03:28 CDT)
- Vikas Sharma (Wed Apr 22 2009 - 05:50:27 CDT)
- Carlos Simmerling (Wed Apr 22 2009 - 05:13:54 CDT)
- Vikas Sharma (Wed Apr 22 2009 - 03:57:31 CDT)
[AMBER] help- regarding - TMD
- Carlos Simmerling (Tue Apr 21 2009 - 18:35:42 CDT)
- Hu, Shaowen (JSC-SK)[Universities Space Research Association USRA]. (Tue Apr 21 2009 - 17:40:36 CDT)
- Carlos Simmerling (Tue Apr 21 2009 - 16:23:23 CDT)
- Hu, Shaowen (JSC-SK)[Universities Space Research Association USRA]. (Tue Apr 21 2009 - 15:25:15 CDT)
- Carlos Simmerling (Tue Apr 21 2009 - 14:46:41 CDT)
- Hu, Shaowen (JSC-SK)[Universities Space Research Association USRA]. (Mon Apr 20 2009 - 11:21:06 CDT)
- Carlos Simmerling (Mon Apr 20 2009 - 10:30:52 CDT)
- Hu, Shaowen (JSC-SK)[Universities Space Research Association USRA]. (Mon Apr 20 2009 - 10:28:30 CDT)
- Carlos Simmerling (Mon Apr 20 2009 - 10:12:40 CDT)
- Hu, Shaowen (JSC-SK)[Universities Space Research Association USRA]. (Mon Apr 20 2009 - 10:05:38 CDT)
- balaji nagarajan (Thu Apr 16 2009 - 12:01:39 CDT)
- Hu, Shaowen (JSC-SK)[Universities Space Research Association USRA]. (Thu Apr 16 2009 - 08:30:22 CDT)
- balaji nagarajan (Thu Apr 16 2009 - 00:21:26 CDT)
- Hu, Shaowen (JSC-SK)[Universities Space Research Association USRA]. (Wed Apr 15 2009 - 12:56:07 CDT)
- balaji nagarajan (Wed Apr 15 2009 - 11:19:59 CDT)
[AMBER] Help: An error happened when I calculate mm/pbsa
- thirsty (Fri Apr 03 2009 - 02:11:19 CDT)
- Carlos Simmerling (Thu Apr 02 2009 - 06:19:04 CDT)
- thirsty (Thu Apr 02 2009 - 03:12:25 CDT)
[AMBER] help_me to know the reason
- Carlos Simmerling (Sat Apr 18 2009 - 05:53:50 CDT)
- balaji nagarajan (Fri Apr 17 2009 - 23:30:07 CDT)
[AMBER] how to add charge in metal ion
- bharat lakhani (Tue Apr 14 2009 - 07:49:44 CDT)
- Ross Walker (Tue Apr 07 2009 - 10:01:14 CDT)
- bharat lakhani (Tue Apr 07 2009 - 04:11:23 CDT)
[AMBER] how to add charge on metal ions
- bharat lakhani (Thu Apr 30 2009 - 01:44:46 CDT)
[AMBER] How to create parameter file for unknown residue
- Marius Retegan (Fri Apr 03 2009 - 05:50:30 CDT)
- nicholus bhattacharjee (Fri Apr 03 2009 - 05:33:03 CDT)
[AMBER] How to delete the frames at specific intervals
- Bala subramanian (Fri Apr 03 2009 - 04:55:35 CDT)
- Mannan (Thu Apr 02 2009 - 20:16:49 CDT)
[AMBER] How to find out residence time of water molecules
- Hannes Loeffler (Fri Apr 03 2009 - 02:31:32 CDT)
- Bala subramanian (Fri Apr 03 2009 - 01:12:18 CDT)
- Mannan (Thu Apr 02 2009 - 20:52:36 CDT)
[AMBER] how to plot this kind of map?
- Dechang Li (Thu Apr 09 2009 - 03:46:16 CDT)
- lnin_1431_at_sina.com (Thu Apr 09 2009 - 03:36:45 CDT)
[AMBER] hpux sander.serial failure info
- David A. Case (Wed Apr 15 2009 - 07:07:45 CDT)
- Yiannis Georgiadis (Wed Apr 15 2009 - 16:41:06 CDT)
- David A. Case (Thu Apr 09 2009 - 06:56:51 CDT)
- Yiannis Georgiadis (Thu Apr 09 2009 - 17:28:28 CDT)
[AMBER] igb=0 vs. igb=6 give different answers
- David A. Case (Thu Apr 09 2009 - 21:48:31 CDT)
- Hugh Heldenbrand (Thu Apr 09 2009 - 15:51:02 CDT)
[AMBER] Influence about HIS-HIE-HIS-HIP
- Rilei Yu (Thu Apr 30 2009 - 19:37:17 CDT)
- David A. Case (Thu Apr 30 2009 - 09:27:02 CDT)
- Rilei Yu (Wed Apr 29 2009 - 22:25:48 CDT)
[AMBER] input error in TI calculation
- David A. Case (Wed Apr 29 2009 - 13:48:04 CDT)
- Hannes Wallnoefer (Wed Apr 29 2009 - 10:40:58 CDT)
[AMBER] Install
- ÁÖÅÂ¼º (Sun Apr 26 2009 - 08:45:45 CDT)
[AMBER] install and test Amber 10 parallel on Ubuntu 8.10
- Jim Parker (Sat Apr 11 2009 - 19:20:25 CDT)
[AMBER] long polymer chain and image command in ptraj
- Karl Kirschner (Mon Apr 06 2009 - 03:15:00 CDT)
- iccy liu (Thu Apr 02 2009 - 14:11:26 CDT)
[AMBER] LYN again
- FyD (Mon Apr 06 2009 - 09:26:14 CDT)
- Marius Retegan (Mon Apr 06 2009 - 08:55:24 CDT)
- FyD (Sun Apr 05 2009 - 14:24:27 CDT)
- Marius Retegan (Sat Apr 04 2009 - 08:12:09 CDT)
[AMBER] Make parallel test faillure
- Ross Walker (Thu Apr 30 2009 - 14:48:06 CDT)
- Collins Nganou (Thu Apr 30 2009 - 14:36:55 CDT)
[AMBER] make test.serial.QMMM
- Seth Hayik (Wed Apr 01 2009 - 12:26:21 CDT)
- michael bane (Wed Apr 01 2009 - 10:44:51 CDT)
[AMBER] Maxwell-Boltzmann distribution and ig=-1
- Carlos Simmerling (Wed Apr 01 2009 - 06:01:51 CDT)
[AMBER] MD on GPU: an existing commercial implementation
- Sasha Buzko (Sat Apr 11 2009 - 19:47:46 CDT)
[AMBER] mean of character in frcmod.ff03
- chenquan (Wed Apr 15 2009 - 18:36:32 CDT)
- Ross Walker (Wed Apr 15 2009 - 09:58:31 CDT)
- chenquan (Wed Apr 15 2009 - 07:26:38 CDT)
[AMBER] missing amber force field parameters
- FyD (Thu Apr 16 2009 - 04:41:44 CDT)
- Neha Gandhi (Thu Apr 16 2009 - 04:19:57 CDT)
[AMBER] missing violations of the covalent geometry
- Helena P M Tossavainen (Tue Apr 07 2009 - 07:10:16 CDT)
- David A. Case (Tue Apr 07 2009 - 06:10:42 CDT)
- Helena P M Tossavainen (Tue Apr 07 2009 - 04:36:44 CDT)
[AMBER] Mixing of forcefields in case of covaletly bonded systems
- Marek Malý (Mon Apr 27 2009 - 07:06:38 CDT)
[AMBER] MM-GBSA Free enegy decomposition
- Rajesh Raju (Mon Apr 27 2009 - 07:27:23 CDT)
[AMBER] MM-PBSA energy decomposition
- Hannes Kopitz (Thu Apr 30 2009 - 05:37:35 CDT)
- Dong Xu (Wed Apr 29 2009 - 21:03:34 CDT)
[AMBER] MM-PBSA error while running heat.in
- Vikas Sharma (Mon Apr 06 2009 - 04:32:55 CDT)
[AMBER] MM-PBSA: decompose energy error
- Lucilla Angeli (Mon Apr 06 2009 - 09:35:58 CDT)
[AMBER] mm_pbsa problem
- Giorgos Lamprinidis (Wed Apr 01 2009 - 02:36:53 CDT)
[AMBER] MMPB(GB)SA on trimer
- quantum_mania_at_yahoo.com (Tue Apr 07 2009 - 20:01:39 CDT)
[AMBER] my FF
- David A. Case (Wed Apr 15 2009 - 07:28:16 CDT)
- m m (Tue Apr 14 2009 - 17:21:38 CDT)
[AMBER] My step size
- Vikas Sharma (Tue Apr 21 2009 - 23:49:47 CDT)
- Vikas Sharma (Tue Apr 21 2009 - 10:01:25 CDT)
- Ross Walker (Tue Apr 21 2009 - 06:27:07 CDT)
- Vikas Sharma (Tue Apr 21 2009 - 01:50:16 CDT)
[AMBER] NAB bug with parmbsc0
- David A. Case (Thu Apr 23 2009 - 11:25:27 CDT)
[AMBER] NALA-ALA-CALA peptide with antechamber
- David A. Case (Sat Apr 04 2009 - 08:04:32 CDT)
- Alan (Fri Apr 03 2009 - 11:33:17 CDT)
[AMBER] Negative "number of measurements" in PTRAJ
- Thomas Cheatham (Tue Apr 07 2009 - 11:57:28 CDT)
- Jenny Iskrenova (Mon Apr 06 2009 - 12:28:59 CDT)
[AMBER] nmod no run proprely in mmbsa
- David A. Case (Thu Apr 23 2009 - 07:47:44 CDT)
- mohamed mohamed (Thu Apr 23 2009 - 07:20:36 CDT)
[AMBER] Nonterminal, was not found in name map
- Bill Ross (Wed Apr 29 2009 - 00:05:12 CDT)
- Ross Walker (Tue Apr 28 2009 - 21:49:50 CDT)
- Sunita Patel (Tue Apr 28 2009 - 19:50:08 CDT)
[AMBER] ntwr
- Carlos Simmerling (Wed Apr 08 2009 - 17:45:57 CDT)
- taufik.alsarraj_at_utoronto.ca (Wed Apr 08 2009 - 17:35:57 CDT)
- Carlos Simmerling (Wed Apr 08 2009 - 16:47:04 CDT)
- taufik.alsarraj_at_utoronto.ca (Wed Apr 08 2009 - 16:45:01 CDT)
[AMBER] Number of LES copies in ptraj
- Thomas Exner (Tue Apr 21 2009 - 10:28:41 CDT)
[AMBER] number of waters in first and second solvation shell
- Siddharth Rastogi (Thu Apr 02 2009 - 06:40:21 CDT)
[AMBER] number_rec_numbers in mm_pbsa
- Zhu, Yong-Liang (Mon Apr 06 2009 - 18:52:06 CDT)
[AMBER] Papers on Amber package usage
- David A. Case (Sun Apr 26 2009 - 07:48:31 CDT)
- Andrew Voronkov (Sun Apr 26 2009 - 00:07:42 CDT)
[AMBER] parallel installation of amber on sun
- Atro Tossavainen (Fri Apr 03 2009 - 17:33:52 CDT)
- Atro Tossavainen (Fri Apr 03 2009 - 16:40:42 CDT)
- Per Jr. Greisen (Fri Apr 03 2009 - 05:22:45 CDT)
- Atro Tossavainen (Fri Apr 03 2009 - 04:39:25 CDT)
- Per Jr. Greisen (Thu Apr 02 2009 - 15:38:54 CDT)
- Atro Tossavainen (Thu Apr 02 2009 - 15:23:05 CDT)
- Per Jr. Greisen (Thu Apr 02 2009 - 14:02:47 CDT)
[AMBER] parallel problem of QM/MM calculation for AMBER 9
- liu junjun (Tue Apr 28 2009 - 21:18:31 CDT)
- Ross Walker (Tue Apr 28 2009 - 17:24:12 CDT)
- liu junjun (Tue Apr 28 2009 - 16:53:06 CDT)
[AMBER] parameter for amoeba
- Hemant Kumar (Sat Apr 04 2009 - 06:46:01 CDT)
[AMBER] Partial interactions
- steinbrt_at_rci.rutgers.edu (Fri Apr 24 2009 - 12:48:58 CDT)
- Ignacio J. General (Fri Apr 24 2009 - 12:11:31 CDT)
- steinbrt_at_rci.rutgers.edu (Fri Apr 24 2009 - 11:20:21 CDT)
- Ignacio J. General (Fri Apr 24 2009 - 09:49:07 CDT)
- steinbrt_at_rci.rutgers.edu (Wed Apr 22 2009 - 21:55:52 CDT)
- Ignacio J. General (Wed Apr 22 2009 - 14:02:00 CDT)
- steinbrt_at_rci.rutgers.edu (Tue Apr 21 2009 - 10:17:55 CDT)
- Ignacio J. General (Tue Apr 21 2009 - 09:31:26 CDT)
- steinbrt_at_rci.rutgers.edu (Mon Apr 20 2009 - 16:47:35 CDT)
- Ignacio J. General (Mon Apr 20 2009 - 16:07:24 CDT)
[AMBER] PBSA Radii option
- quantum_mania_at_yahoo.com (Tue Apr 07 2009 - 14:31:18 CDT)
[AMBER] per atom energies in sander/pmemd
- Tamara Rogers (Tue Apr 21 2009 - 18:41:27 CDT)
[AMBER] please help me out
- bharat lakhani (Thu Apr 16 2009 - 01:41:08 CDT)
- David A. Case (Thu Apr 09 2009 - 06:46:12 CDT)
- bharat lakhani (Thu Apr 09 2009 - 00:10:22 CDT)
- David A. Case (Wed Apr 08 2009 - 13:10:04 CDT)
- Hugh Heldenbrand (Wed Apr 08 2009 - 10:44:54 CDT)
- Ross Walker (Wed Apr 08 2009 - 10:34:51 CDT)
- bharat lakhani (Wed Apr 08 2009 - 04:18:41 CDT)
- David A. Case (Thu Apr 02 2009 - 12:48:10 CDT)
- bharat lakhani (Thu Apr 02 2009 - 05:13:48 CDT)
[AMBER] please read this mail
- David A. Case (Sat Apr 18 2009 - 08:01:08 CDT)
- bharat lakhani (Sat Apr 18 2009 - 02:38:12 CDT)
[AMBER] pmemd compilation error
- Robert Duke (Mon Apr 27 2009 - 23:09:15 CDT)
- john smith (Mon Apr 27 2009 - 22:30:21 CDT)
[AMBER] pmemd compilation/make failed - mkl_vml_service_threader_z_1i_c_1o
- Vijay Manickam Achari (Mon Apr 06 2009 - 02:27:24 CDT)
[AMBER] pmemd compilation/make failed -mkl_vml_service_threader_z_1i_c_1o
- Vijay Manickam Achari (Mon Apr 06 2009 - 23:25:36 CDT)
- Robert Duke (Mon Apr 06 2009 - 09:25:14 CDT)
[AMBER] pmemd compilation/make failed-mkl_vml_service_threader_z_1i_c_1o
- Robert Duke (Tue Apr 07 2009 - 07:43:36 CDT)
[AMBER] pmemd compilation/makefailed-mkl_vml_service_threader_z_1i_c_1o
- Vijay Manickam Achari (Wed Apr 08 2009 - 01:27:46 CDT)
- Robert Duke (Tue Apr 07 2009 - 07:55:00 CDT)
[AMBER] pmemd in amber10 - compile failed in HPC
- Robert Duke (Thu Apr 16 2009 - 07:24:45 CDT)
- Vijay Manickam Achari (Thu Apr 16 2009 - 05:13:49 CDT)
[AMBER] pmemdcompilation/makefailed-mkl_vml_service_threade_z_1i_c_1o
- Vijay Manickam Achari (Thu Apr 09 2009 - 04:55:53 CDT)
- Ross Walker (Wed Apr 08 2009 - 09:53:31 CDT)
[AMBER] pmemdcompilation/makefailed-mkl_vml_service_threader_z_1i_c_1o
- Robert Duke (Wed Apr 08 2009 - 08:35:49 CDT)
- Robert Duke (Wed Apr 08 2009 - 07:13:23 CDT)
[AMBER] polarizable force field for 18-crown-6
- Piotr Cieplak (Fri Apr 17 2009 - 02:48:03 CDT)
- Gert von Helden (Thu Apr 16 2009 - 12:33:15 CDT)
[AMBER] Polarizable force field problem: non constant total Energy, EPOLZ is increasing
- Piotr Cieplak (Mon Apr 27 2009 - 14:07:38 CDT)
- David A. Case (Mon Apr 27 2009 - 12:30:55 CDT)
- Tommaso Cupido (Mon Apr 27 2009 - 09:10:12 CDT)
[AMBER] Possibility to use ff99 + GAFF + GLYCAM_06 in one time for complex system ?
- Lachele Foley (Lists) (Fri Apr 17 2009 - 13:13:49 CDT)
- quantum_mania_at_yahoo.com (Fri Apr 17 2009 - 12:52:28 CDT)
- Marek Malý (Thu Apr 16 2009 - 16:25:12 CDT)
- Carlos Simmerling (Wed Apr 15 2009 - 08:33:00 CDT)
- Karl Kirschner (Wed Apr 15 2009 - 02:07:00 CDT)
- Marek Malý (Tue Apr 14 2009 - 19:40:22 CDT)
- Ross Walker (Tue Apr 14 2009 - 18:27:37 CDT)
- Marek Malý (Tue Apr 14 2009 - 18:18:18 CDT)
- Ross Walker (Mon Apr 13 2009 - 23:10:38 CDT)
- Marek Malý (Mon Apr 13 2009 - 22:29:17 CDT)
[AMBER] Possibility to use ff99 + GAFF + GLYCAM_06 in one time for complex system ? - Last detail
- Marek Malý (Thu Apr 23 2009 - 09:30:07 CDT)
- Karl Kirschner (Thu Apr 23 2009 - 08:54:14 CDT)
- Marek Malý (Thu Apr 23 2009 - 08:41:03 CDT)
- Karl Kirschner (Thu Apr 23 2009 - 06:43:31 CDT)
- Marek Malý (Tue Apr 21 2009 - 21:31:34 CDT)
- Karl Kirschner (Tue Apr 21 2009 - 02:24:18 CDT)
- Marek Malý (Mon Apr 20 2009 - 22:52:46 CDT)
- FyD (Mon Apr 20 2009 - 09:50:12 CDT)
- Karl Kirschner (Mon Apr 20 2009 - 07:27:45 CDT)
- Marek Malý (Mon Apr 20 2009 - 06:52:36 CDT)
[AMBER] prmtop residue format
- David A. Case (Tue Apr 07 2009 - 15:35:40 CDT)
- taufik.alsarraj_at_utoronto.ca (Tue Apr 07 2009 - 15:04:25 CDT)
[AMBER] problem in calculation of binding energy in final step (MM-PBSA)
- Maryam Hamzehee (Tue Apr 07 2009 - 08:59:03 CDT)
[AMBER] problem in input
- Rausch, Felix (Fri Apr 03 2009 - 03:04:36 CDT)
- balaji nagarajan (Thu Apr 02 2009 - 15:23:18 CDT)
- Rausch, Felix (Thu Apr 02 2009 - 06:08:27 CDT)
- balaji nagarajan (Thu Apr 02 2009 - 05:29:39 CDT)
[AMBER] problem in installing AMBER10
- Dr. Debaprasad Giri (Sat Apr 04 2009 - 07:13:46 CDT)
[AMBER] Problem reading PDB file into XLEAP - SLEAP
- Hopkins, Robert (Wed Apr 01 2009 - 18:10:44 CDT)
[AMBER] problem with antechamber
- aneesh cna (Wed Apr 08 2009 - 01:32:32 CDT)
[AMBER] Problem with CAP residues
- FyD (Tue Apr 07 2009 - 06:01:35 CDT)
- Tomasio, Susana (Tue Apr 07 2009 - 05:17:27 CDT)
[AMBER] problem with explicit solvent in TMD
- Ross Walker (Mon Apr 13 2009 - 10:29:11 CDT)
- Carlos Simmerling (Mon Apr 13 2009 - 06:41:41 CDT)
- balaji nagarajan (Mon Apr 13 2009 - 06:37:21 CDT)
[AMBER] Problem with RNA hairpin unwinding in explicit water
- Sasha Buzko (Fri Apr 24 2009 - 12:20:13 CDT)
- Sasha Buzko (Thu Apr 23 2009 - 12:55:58 CDT)
- Bill Ross (Thu Apr 23 2009 - 12:53:40 CDT)
- Sasha Buzko (Wed Apr 22 2009 - 18:59:14 CDT)
- matthew_seetin_at_urmc.rochester.edu (Wed Apr 22 2009 - 18:59:02 CDT)
- Sasha Buzko (Wed Apr 22 2009 - 18:10:55 CDT)
- Thomas Cheatham III (Wed Apr 22 2009 - 17:56:25 CDT)
- Carlos Simmerling (Wed Apr 22 2009 - 17:53:33 CDT)
- Sasha Buzko (Wed Apr 22 2009 - 17:34:35 CDT)
- Carlos Simmerling (Wed Apr 22 2009 - 17:25:47 CDT)
- Seetin, Matthew (Wed Apr 22 2009 - 17:22:29 CDT)
- Sasha Buzko (Wed Apr 22 2009 - 16:55:58 CDT)
[AMBER] problem with secstruct action command in ptraj
- nicholus bhattacharjee (Mon Apr 06 2009 - 06:49:44 CDT)
[AMBER] problem with the results in the .out file!
- Aravind S (Thu Apr 02 2009 - 00:49:19 CDT)
[AMBER] Problems with running two separate jobs in the same time
- Antonija TomiÄ‡ (Thu Apr 09 2009 - 05:33:03 CDT)
- Ross Walker (Tue Apr 07 2009 - 10:01:14 CDT)
- Antonija TomiÄ‡ (Tue Apr 07 2009 - 03:08:53 CDT)
[AMBER] ptraj (vector and corrplane)
- taufik.alsarraj_at_utoronto.ca (Fri Apr 10 2009 - 19:45:46 CDT)
[AMBER] ptraj and namd charmm dcd
- Thomas Cheatham III (Wed Apr 01 2009 - 11:08:51 CDT)
- Sandro L. Fornili (Wed Apr 01 2009 - 10:59:37 CDT)
[AMBER] ptraj problem
- Thomas Cheatham III (Fri Apr 03 2009 - 15:23:21 CDT)
- Ed Pate (Fri Apr 03 2009 - 15:13:37 CDT)
[AMBER] ptraj randomizeions
- taufik.alsarraj_at_utoronto.ca (Tue Apr 07 2009 - 18:32:23 CDT)
[AMBER] question
- Tatyana Fedotova (Fri Apr 24 2009 - 14:55:40 CDT)
[AMBER] Questions on targeted MD with explicit solvent
- Hu, Shaowen (JSC-SK)[Universities Space Research Association USRA]. (Tue Apr 14 2009 - 08:51:40 CDT)
[AMBER] radius of gyration
- Beale, John (Fri Apr 17 2009 - 06:39:31 CDT)
[AMBER] REd program!
- FyD (Wed Apr 29 2009 - 08:53:12 CDT)
- R. A. (Tue Apr 28 2009 - 23:37:38 CDT)
[AMBER] reg-TMD
- balaji nagarajan (Wed Apr 29 2009 - 20:44:32 CDT)
- Hu, Shaowen (JSC-SK)[Universities Space Research Association USRA]. (Wed Apr 29 2009 - 15:56:07 CDT)
- balaji nagarajan (Wed Apr 29 2009 - 06:54:59 CDT)
- Carlos Simmerling (Wed Apr 29 2009 - 06:33:40 CDT)
- balaji nagarajan (Wed Apr 29 2009 - 06:25:50 CDT)
- Carlos Simmerling (Wed Apr 29 2009 - 05:28:35 CDT)
- balaji nagarajan (Tue Apr 28 2009 - 23:16:17 CDT)
- Carlos Simmerling (Tue Apr 28 2009 - 12:48:18 CDT)
- balaji nagarajan (Tue Apr 28 2009 - 10:23:34 CDT)
[AMBER] Regarding syntax for freezing different atoms
- Ross Walker (Thu Apr 23 2009 - 08:24:55 CDT)
- Jorgen Simonsen (Thu Apr 23 2009 - 07:50:43 CDT)
[AMBER] Release of R.E.D. Server
- FyD (Thu Apr 09 2009 - 03:31:30 CDT)
[AMBER] Request an error
- Collins Nganou (Thu Apr 30 2009 - 12:41:48 CDT)
[AMBER] restrained minimization
- David A. Case (Mon Apr 13 2009 - 21:03:11 CDT)
- quantum_mania_at_yahoo.com (Mon Apr 13 2009 - 19:12:35 CDT)
[AMBER] Restraining counterions?
- Bill Ross (Tue Apr 28 2009 - 13:59:52 CDT)
- Francesco Pietra (Tue Apr 28 2009 - 12:32:18 CDT)
[AMBER] restraint constant
- Dong Xu (Sat Apr 25 2009 - 17:15:22 CDT)
[AMBER] Right force fields
- Patrick Schopf (Fri Apr 17 2009 - 08:34:04 CDT)
- Vikas Sharma (Fri Apr 17 2009 - 08:14:04 CDT)
- Patrick Schopf (Fri Apr 17 2009 - 07:48:14 CDT)
- Vikas Sharma (Fri Apr 17 2009 - 01:22:16 CDT)
[AMBER] RST file
- David A. Case (Fri Apr 10 2009 - 07:21:19 CDT)
- waleed zalloum (Thu Apr 09 2009 - 09:06:37 CDT)
[AMBER] run protein with structural Ca+
- sarah genare (Wed Apr 01 2009 - 06:01:24 CDT)
[AMBER] Sander
- waleed_zalloum_at_yahoo.com (Mon Apr 06 2009 - 08:17:34 CDT)
[AMBER] Sander and multiple residues
- Bill Ross (Fri Apr 10 2009 - 15:42:14 CDT)
- Dan Kaps (Fri Apr 10 2009 - 12:46:49 CDT)
- Bill Ross (Fri Apr 10 2009 - 11:42:36 CDT)
- Dan Kaps (Fri Apr 10 2009 - 10:01:08 CDT)
- David A. Case (Fri Apr 10 2009 - 09:03:57 CDT)
- Dan Kaps (Fri Apr 10 2009 - 07:57:54 CDT)
- Dan Kaps (Fri Apr 10 2009 - 07:56:53 CDT)
- Bill Ross (Thu Apr 09 2009 - 15:12:10 CDT)
- Carlos Simmerling (Thu Apr 09 2009 - 15:05:23 CDT)
- Dan Kaps (Thu Apr 09 2009 - 15:02:46 CDT)
- Carlos Simmerling (Thu Apr 09 2009 - 14:21:56 CDT)
- Dan Kaps (Thu Apr 09 2009 - 13:48:55 CDT)
[AMBER] Sander Stalling
- Ross Walker (Mon Apr 06 2009 - 11:58:58 CDT)
- Robert Duke (Mon Apr 06 2009 - 11:57:18 CDT)
- Steve Seibold (Mon Apr 06 2009 - 11:21:51 CDT)
[AMBER] sander.MPI parallel run problem
- Dechang Li (Mon Apr 06 2009 - 06:09:04 CDT)
- Carlos Simmerling (Mon Apr 06 2009 - 06:02:13 CDT)
- Dechang Li (Mon Apr 06 2009 - 05:56:53 CDT)
- Carlos Simmerling (Mon Apr 06 2009 - 05:09:11 CDT)
- Dechang Li (Mon Apr 06 2009 - 02:44:12 CDT)
[AMBER] sequence function
- taufik.alsarraj_at_utoronto.ca (Mon Apr 06 2009 - 12:06:50 CDT)
- taufik.alsarraj_at_utoronto.ca (Mon Apr 06 2009 - 12:03:20 CDT)
[AMBER] Set start timestep for mdcrd traj output
- Dong Xu (Tue Apr 21 2009 - 18:44:50 CDT)
- Carlos Simmerling (Tue Apr 21 2009 - 18:26:02 CDT)
- quantum_mania_at_yahoo.com (Tue Apr 21 2009 - 11:31:45 CDT)
- quantum_mania_at_yahoo.com (Tue Apr 21 2009 - 11:38:53 CDT)
[AMBER] Simulated annealing
- Carlos Simmerling (Fri Apr 24 2009 - 10:44:02 CDT)
- waleed zalloum (Fri Apr 24 2009 - 10:04:47 CDT)
- Carlos Simmerling (Fri Apr 24 2009 - 09:49:40 CDT)
- waleed zalloum (Fri Apr 24 2009 - 09:31:36 CDT)
[AMBER] Solved-Amber 1.2 tools test suite failure
- Ross Walker (Sat Apr 11 2009 - 14:51:13 CDT)
- Jim Parker (Sat Apr 11 2009 - 14:29:55 CDT)
[AMBER] Source of new CYX residue parameters in ff03ua
- Ross Walker (Tue Apr 14 2009 - 23:08:14 CDT)
- Chris Moth (Tue Apr 14 2009 - 19:42:33 CDT)
- Chris Moth (Tue Apr 07 2009 - 14:48:46 CDT)
[AMBER] specification of antechamber AC file format?
- Nicholas Musolino (Thu Apr 16 2009 - 08:18:32 CDT)
- David A. Case (Thu Apr 16 2009 - 07:29:46 CDT)
- Nicholas Musolino (Wed Apr 15 2009 - 17:07:32 CDT)
- Nicholas Musolino (Tue Apr 07 2009 - 14:43:57 CDT)
[AMBER] ssh and make test.parallel
- Francesco Pietra (Wed Apr 08 2009 - 02:19:36 CDT)
- Atro Tossavainen (Mon Apr 06 2009 - 15:21:07 CDT)
- Francesco Pietra (Mon Apr 06 2009 - 09:29:19 CDT)
- Atro Tossavainen (Mon Apr 06 2009 - 05:33:21 CDT)
- Francesco Pietra (Mon Apr 06 2009 - 04:58:39 CDT)
[AMBER] sulfonamide parameters
- valeria.lapietra_at_unina.it (Thu Apr 16 2009 - 10:16:49 CDT)
[AMBER] test/amoeba - forrtl: severe (64): input conversion error
- Tomasio, Susana (Wed Apr 08 2009 - 11:02:48 CDT)
- Wei Zhang (Wed Apr 08 2009 - 10:38:50 CDT)
- Tomasio, Susana (Tue Apr 07 2009 - 17:45:57 CDT)
- David A. Case (Tue Apr 07 2009 - 15:41:21 CDT)
- Tomasio, Susana (Tue Apr 07 2009 - 15:12:19 CDT)
- Tomasio, Susana (Tue Apr 07 2009 - 14:34:26 CDT)
- Wei Zhang (Tue Apr 07 2009 - 13:34:11 CDT)
- Tomasio, Susana (Tue Apr 07 2009 - 11:34:57 CDT)
- David A. Case (Tue Apr 07 2009 - 11:29:18 CDT)
- Tomasio, Susana (Tue Apr 07 2009 - 10:16:08 CDT)
[AMBER] test/amoeba: forrtl: error (78): process killed (SIGTERM)
- Tomasio, Susana (Wed Apr 29 2009 - 15:15:02 CDT)
- Wei Zhang (Wed Apr 29 2009 - 13:00:28 CDT)
- Tomasio, Susana (Wed Apr 29 2009 - 12:45:36 CDT)
[AMBER] Testing parallel amber10: no libmkl_lapack.so
- Francesco Pietra (Sun Apr 19 2009 - 09:36:02 CDT)
- Atro Tossavainen (Wed Apr 08 2009 - 18:39:30 CDT)
- Francesco Pietra (Wed Apr 08 2009 - 18:17:38 CDT)
- Atro Tossavainen (Wed Apr 08 2009 - 17:24:52 CDT)
- M. L. Dodson (Wed Apr 08 2009 - 11:06:09 CDT)
- Francesco Pietra (Wed Apr 08 2009 - 10:14:43 CDT)
- Atro Tossavainen (Wed Apr 08 2009 - 06:20:27 CDT)
- Francesco Pietra (Wed Apr 08 2009 - 05:03:09 CDT)
- Atro Tossavainen (Wed Apr 08 2009 - 04:35:17 CDT)
- Francesco Pietra (Tue Apr 07 2009 - 13:56:25 CDT)
[AMBER] testing RRR with antechamber
- Alan (Mon Apr 06 2009 - 07:10:27 CDT)
[AMBER] The PDB file was not recognized by Amber, what can i do?
- Houyang Chen (Wed Apr 29 2009 - 17:17:51 CDT)
- Markus Kaukonen (Wed Apr 29 2009 - 02:16:30 CDT)
- Barbault Florent (Wed Apr 29 2009 - 01:56:09 CDT)
- Ross Walker (Tue Apr 28 2009 - 22:56:27 CDT)
- Houyang Chen (Tue Apr 28 2009 - 22:42:39 CDT)
- Barbault Florent (Tue Apr 28 2009 - 18:00:55 CDT)
- Carlos Simmerling (Tue Apr 28 2009 - 17:03:57 CDT)
- Houyang Chen (Tue Apr 28 2009 - 17:00:05 CDT)
[AMBER] Thermodynamic Integration and belly
- Ignacio J. General (Mon Apr 13 2009 - 12:26:16 CDT)
- steinbrt_at_rci.rutgers.edu (Mon Apr 13 2009 - 11:46:19 CDT)
- Ignacio J. General (Mon Apr 13 2009 - 10:24:15 CDT)
- Ignacio J. General (Wed Apr 08 2009 - 14:52:51 CDT)
[AMBER] TI production runs stop after a certain Step number
- Hannes Wallnoefer (Wed Apr 08 2009 - 10:14:32 CDT)
- steinbrt_at_rci.rutgers.edu (Wed Apr 08 2009 - 09:35:11 CDT)
- Hannes Wallnoefer (Wed Apr 08 2009 - 06:48:31 CDT)
- Ilyas Yildirim (Tue Apr 07 2009 - 14:08:31 CDT)
- steinbrt_at_rci.rutgers.edu (Tue Apr 07 2009 - 09:49:57 CDT)
- Hannes Wallnoefer (Tue Apr 07 2009 - 06:48:45 CDT)
[AMBER] top2mol2
- taufik.alsarraj_at_utoronto.ca (Tue Apr 07 2009 - 17:39:34 CDT)
[AMBER] transport properties
- oguz gurbulak (Tue Apr 28 2009 - 09:11:05 CDT)
[AMBER] Umbrella test
- David A. Case (Sat Apr 04 2009 - 08:12:13 CDT)
- Arnaud (Thu Apr 02 2009 - 04:51:01 CDT)
[AMBER] uncharged c and n terminal amino acids
- David A. Case (Wed Apr 22 2009 - 13:16:19 CDT)
- Christopher Materese (Wed Apr 22 2009 - 13:05:38 CDT)
[AMBER] Unit name with loadMol2 command
- David A. Case (Thu Apr 23 2009 - 17:54:02 CDT)
- Nicholas Musolino (Thu Apr 23 2009 - 14:30:30 CDT)
[AMBER] Using AMBER force fields in NAMD
- Thomas Cheatham III (Tue Apr 28 2009 - 17:45:15 CDT)
- Piotr Cieplak (Tue Apr 28 2009 - 17:23:15 CDT)
- Ross Walker (Tue Apr 28 2009 - 17:17:06 CDT)
- Michael Zimmermann (Tue Apr 28 2009 - 16:25:56 CDT)
[AMBER] Using smd with fixed atom
- nandy_at_physics.iisc.ernet.in (Sun Apr 26 2009 - 09:57:45 CDT)
[AMBER] Van der Waals atom types
- Antonio Morreale (Thu Apr 16 2009 - 09:39:14 CDT)
[AMBER] water bonding with protein
- David A. Case (Wed Apr 15 2009 - 06:58:17 CDT)
- Mark M Huntress (Tue Apr 14 2009 - 21:55:39 CDT)
[AMBER] Water-molecules
- case (Sun Apr 26 2009 - 17:35:36 CDT)
- sikander azam (Sun Apr 26 2009 - 08:11:33 CDT)
[AMBER] why amber10/dat/leap/gleap/ and amber10/dat/leap/parm
- Alan (Sun Apr 12 2009 - 10:58:18 CDT)
- Wei Zhang (Sun Apr 12 2009 - 08:24:47 CDT)
- Alan (Sun Apr 12 2009 - 04:30:15 CDT)
[AMBER] yacc parser
- Francesco Pietra (Thu Apr 02 2009 - 10:37:53 CDT)
- David A. Case (Thu Apr 02 2009 - 07:03:06 CDT)
- Mark Williamson (Wed Apr 01 2009 - 12:15:56 CDT)
- Francesco Pietra (Wed Apr 01 2009 - 09:58:01 CDT)
[AMBER] zwitterionic form of ARG and antechamber
- Alan (Mon Apr 06 2009 - 07:33:31 CDT)
[Subject Filtered] [AMBER] hbond-error in amber9 8%
- Hopkins, Robert (Thu Apr 30 2009 - 19:02:34 CDT)
Fwd: [AMBER] MM-GBSA Free enegy decomposition
- Rajesh Raju (Tue Apr 28 2009 - 06:28:17 CDT)
Fwd: [AMBER] Testing parallel amber10: no libmkl_lapack.so
- Atro Tossavainen (Wed Apr 08 2009 - 18:36:53 CDT)
- Francesco Pietra (Wed Apr 08 2009 - 18:20:02 CDT)
- Atro Tossavainen (Wed Apr 08 2009 - 17:25:54 CDT)
- Francesco Pietra (Wed Apr 08 2009 - 10:23:58 CDT)
install and test Amber 10 parallel on Ubuntu 8.10
- Jim Parker (Sat Apr 11 2009 - 23:47:19 CDT)
å›žå¤ï¼š [AMBER] number_rec_numbers in mm_pbsa
- å»–é’åŽ (Mon Apr 06 2009 - 19:18:54 CDT)

Last message date: Mon Nov 23 2009 - 13:51:08 CST
Archived on: Mon Nov 23 2009 - 13:51:11 CST

593 messages sorted by: [ author ] [ date ] [ thread ]
About this archive