AMBER Archive (2006) - Dec 2006 By Subject

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

Starting: Fri Dec 01 2006 - 04:26:51 CST
Ending: Sat Dec 30 2006 - 07:12:53 CST

AMBER: (no subject)
- lily ferreira (Mon Dec 18 2006 - 02:14:44 CST)
AMBER: .crd file
- Fenghui Fan (Tue Dec 26 2006 - 10:17:33 CST)
- bertrand russell (Tue Dec 26 2006 - 03:16:53 CST)
AMBER: A BUG report, "ptraj corrplane"
- Myunggi Yi (Sun Dec 10 2006 - 19:32:22 CST)
- Myunggi Yi (Tue Dec 05 2006 - 11:42:08 CST)
AMBER: A problem with mm_pbsa
- vic_at_mail.nankai.edu.cn (Mon Dec 25 2006 - 19:41:41 CST)
AMBER: About the creation of 1-4 pairs in AMBER program
- J. Zhang (Sun Dec 03 2006 - 20:17:02 CST)
AMBER: about the std of computational alanine scanning
- tongli (Fri Dec 01 2006 - 05:50:11 CST)
AMBER: addition of subroutine in pmemd module
- kakali sen (Mon Dec 11 2006 - 12:52:37 CST)
AMBER: AMBER - leap - problems with impose command
- Ilyas Yildirim (Sun Dec 17 2006 - 02:45:13 CST)
- Piotr Cieplak (Sun Dec 17 2006 - 01:20:28 CST)
- Ilyas Yildirim (Sat Dec 16 2006 - 05:17:22 CST)
- Piotr Cieplak (Sat Dec 16 2006 - 01:04:05 CST)
- FyD (Sat Dec 16 2006 - 00:22:36 CST)
- Piotr Cieplak (Fri Dec 15 2006 - 12:18:06 CST)
AMBER: amber 9 installation problem
- Ed Pate (Wed Dec 13 2006 - 18:34:19 CST)
AMBER: Amber 9 Leap install error
- David A. Case (Sun Dec 17 2006 - 23:54:56 CST)
- A Box (Sun Dec 17 2006 - 22:06:52 CST)
AMBER: AMBER complile problem
- David A. Case (Fri Dec 29 2006 - 01:51:49 CST)
- Chengwen Chen (Fri Dec 29 2006 - 01:41:21 CST)
AMBER: Amber Input file from "qout", "resp.dat"
- FyD (Thu Dec 21 2006 - 04:23:09 CST)
- saurabh agrawal (Thu Dec 21 2006 - 03:41:47 CST)
AMBER: AMBER parallel run bombs
- Michael Crowley (Mon Dec 04 2006 - 19:41:32 CST)
- Rahaman, Asif (Mon Dec 04 2006 - 18:29:53 CST)
AMBER: Amber9 - openmpi?
- bertrand russell (Wed Dec 20 2006 - 22:16:22 CST)
- Gustavo Seabra (Wed Dec 20 2006 - 09:34:53 CST)
- Robert Duke (Wed Dec 20 2006 - 07:23:10 CST)
- bertrand russell (Wed Dec 20 2006 - 05:22:37 CST)
AMBER: Amber9 failure to compile parallel on Rocks 4.2.1 system
- Ross Walker (Wed Dec 06 2006 - 16:48:51 CST)
- Michael John Hanby (Wed Dec 06 2006 - 15:26:11 CST)
AMBER: Amber9 Parallel compiled with -lam, how to run test.parallel?
- Michael John Hanby (Sun Dec 10 2006 - 21:31:57 CST)
- David A. Case (Sun Dec 10 2006 - 18:34:15 CST)
- Michael John Hanby (Sun Dec 10 2006 - 14:09:34 CST)
AMBER: amber9 parralel compiling
- Scott Brozell (Fri Dec 01 2006 - 13:40:54 CST)
- Nikola Trbovic (Fri Dec 01 2006 - 10:46:33 CST)
AMBER: Atom Type problem
- Steve Seibold (Fri Dec 08 2006 - 12:09:05 CST)
- Ross Walker (Fri Dec 08 2006 - 10:21:19 CST)
- Steve Seibold (Fri Dec 08 2006 - 10:04:29 CST)
- Steve Seibold (Fri Dec 08 2006 - 10:01:23 CST)
AMBER: atome type error
- Ross Walker (Fri Dec 08 2006 - 09:51:29 CST)
- Steve Seibold (Fri Dec 08 2006 - 09:08:35 CST)
AMBER: Atoms overlapping
- Thomas Steinbrecher (Mon Dec 11 2006 - 16:11:47 CST)
- Nitin Bhardwaj (Mon Dec 11 2006 - 14:48:53 CST)
- David A. Case (Mon Dec 11 2006 - 14:08:58 CST)
- Nitin Bhardwaj (Mon Dec 11 2006 - 13:43:44 CST)
AMBER: bad connectivity
- Seth Lilavivat (Tue Dec 26 2006 - 11:24:17 CST)
- Fenghui Fan (Tue Dec 26 2006 - 11:33:57 CST)
AMBER: bad connectivity - more detail
- David A. Case (Fri Dec 29 2006 - 02:15:16 CST)
- Seth Lilavivat (Wed Dec 27 2006 - 13:42:42 CST)
- David A. Case (Wed Dec 27 2006 - 12:31:58 CST)
- Seth Lilavivat (Wed Dec 27 2006 - 11:44:29 CST)
- David A. Case (Wed Dec 27 2006 - 10:52:41 CST)
- Seth Lilavivat (Wed Dec 27 2006 - 10:26:14 CST)
- Fenghui Fan (Wed Dec 27 2006 - 00:25:41 CST)
- Fenghui Fan (Tue Dec 26 2006 - 22:19:41 CST)
- Seth Lilavivat (Tue Dec 26 2006 - 12:02:27 CST)
AMBER: bugfix
- Ye Mei (Sun Dec 03 2006 - 09:38:40 CST)
- mahdi fathi (Sun Dec 03 2006 - 09:17:42 CST)
AMBER: Building Parameters
- Steve Seibold (Mon Dec 11 2006 - 15:29:15 CST)
AMBER: Can't compile PMEMD
- Robert Duke (Thu Dec 14 2006 - 17:42:02 CST)
- Michael John Hanby (Thu Dec 14 2006 - 17:13:47 CST)
- Robert Duke (Thu Dec 14 2006 - 16:12:12 CST)
- Michael John Hanby (Thu Dec 14 2006 - 15:47:15 CST)
AMBER: charge problem in MM-PBSA
- linfu (Tue Dec 19 2006 - 19:53:52 CST)
AMBER: chirality.c line 121
- David A. Case (Wed Dec 27 2006 - 16:46:21 CST)
- Seth Lilavivat (Wed Dec 27 2006 - 15:43:56 CST)
AMBER: Compiling Amber 9 on SGI with gcc
- David A. Case (Sat Dec 09 2006 - 10:55:20 CST)
- Scott Brozell (Fri Dec 08 2006 - 21:29:15 CST)
- Shin, John Y CONTRACTOR WRAIR-Wash DC (Fri Dec 08 2006 - 12:46:32 CST)
AMBER: Compiling Amber8 with Sun HPC ClusterTools 5 Software
- David A. Case (Sat Dec 23 2006 - 20:58:29 CST)
- Muhammad Naim Mohmad Rouyan (Fri Dec 22 2006 - 01:40:32 CST)
AMBER: Coodinates not being unique
- Nitin Bhardwaj (Mon Dec 11 2006 - 18:50:41 CST)
AMBER: coordinate out of bounds
- j j (Thu Dec 14 2006 - 04:21:50 CST)
- Miguel Ferreira (Wed Dec 13 2006 - 19:09:57 CST)
AMBER: description of prep file
- David A. Case (Fri Dec 08 2006 - 16:52:30 CST)
- Piotr Cieplak (Fri Dec 08 2006 - 16:28:29 CST)
AMBER: dihedral angle problem
- David A. Case (Fri Dec 08 2006 - 20:10:36 CST)
- Esther Brugger (Fri Dec 08 2006 - 19:00:48 CST)
- David A. Case (Fri Dec 08 2006 - 17:47:39 CST)
- Esther Brugger (Fri Dec 08 2006 - 16:53:32 CST)
AMBER: dihedral calculation problem
- Esther Brugger (Fri Dec 01 2006 - 15:39:23 CST)
AMBER: DRMS setting for Nmode calculation
- Shuting Wei (Thu Dec 07 2006 - 14:46:54 CST)
AMBER: Error compiling amber on parallel (MPICH)
- David A. Case (Wed Dec 27 2006 - 10:41:21 CST)
- Muhammad Naim Mohmad Rouyan (Wed Dec 27 2006 - 00:35:47 CST)
AMBER: Error in sysdepend.c?
- Shin, John Y CONTRACTOR WRAIR-Wash DC (Tue Dec 19 2006 - 15:29:12 CST)
- Scott Brozell (Tue Dec 19 2006 - 13:19:38 CST)
- Shin, John Y CONTRACTOR WRAIR-Wash DC (Mon Dec 18 2006 - 14:27:24 CST)
- David A. Case (Fri Dec 15 2006 - 17:24:00 CST)
- Shin, John Y CONTRACTOR WRAIR-Wash DC (Fri Dec 15 2006 - 13:44:50 CST)
AMBER: Error message in methane solvent system
- David A. Case (Fri Dec 08 2006 - 10:41:49 CST)
- Atsutoshi Okabe (Thu Dec 07 2006 - 21:19:04 CST)
AMBER: ERROR: The PDB file is not in the working directory
- FyD (Fri Dec 15 2006 - 02:21:21 CST)
- saurabh agrawal (Thu Dec 14 2006 - 05:38:05 CST)
- saurabh agrawal (Thu Dec 14 2006 - 01:18:33 CST)
- FyD (Tue Dec 12 2006 - 06:57:56 CST)
- saurabh agrawal (Tue Dec 12 2006 - 05:39:39 CST)
AMBER: EXTRA_PTS: frtype 2 Should not be here
- David A. Case (Mon Dec 25 2006 - 16:32:11 CST)
- Kailee (Thu Dec 21 2006 - 12:26:31 CST)
AMBER: floating point assist faults on IA64 PMEMD 9
- Jarrod Smith (Wed Dec 13 2006 - 17:32:36 CST)
- Robert Duke (Wed Dec 13 2006 - 16:41:52 CST)
- Jarrod Smith (Wed Dec 13 2006 - 16:13:29 CST)
- Jarrod Smith (Wed Dec 13 2006 - 15:54:18 CST)
- Robert Duke (Wed Dec 13 2006 - 14:22:23 CST)
- Jarrod Smith (Wed Dec 13 2006 - 12:42:06 CST)
AMBER: Free energy perturbation in SANDER
- Chris Moth (Thu Dec 14 2006 - 08:21:11 CST)
- Sergey Samsonov (Thu Dec 14 2006 - 03:38:46 CST)
- Yumi Nukusina (Thu Dec 14 2006 - 02:59:36 CST)
AMBER: Frozen at Minimization
- Chris Moth (Tue Dec 19 2006 - 09:01:16 CST)
- Steve Seibold (Tue Dec 19 2006 - 08:18:21 CST)
AMBER: G5 OSX serial compile error
- Mathy Froeyen (Thu Dec 28 2006 - 05:12:13 CST)
- Kevin Kelliher (Tue Dec 26 2006 - 15:18:56 CST)
AMBER: General Question about Abmer
- M. L. Dodson (Mon Dec 11 2006 - 08:34:45 CST)
- Sanya Kryklia (Mon Dec 11 2006 - 08:23:11 CST)
AMBER: H-bond analysis (Ptraj)
- Esther Brugger (Fri Dec 01 2006 - 13:01:25 CST)
- Thomas Cheatham (Fri Dec 01 2006 - 12:00:05 CST)
AMBER: H-bond analysis (Ptraj) input file
- Thomas Cheatham (Fri Dec 01 2006 - 11:56:57 CST)
- Esther Brugger (Fri Dec 01 2006 - 10:22:44 CST)
AMBER: How could I simulate lipid membrane with AMBER9.0?
- ²ÜÈ½ (Thu Dec 07 2006 - 19:46:44 CST)
- Fenghui Fan (Wed Dec 06 2006 - 20:49:09 CST)
- ²ÜÈ½ (Wed Dec 06 2006 - 19:02:55 CST)
AMBER: How to apply a force to some atom in a residues?
- a a (Fri Dec 01 2006 - 04:26:51 CST)
AMBER: how to include EXTRA POINTS in AMBER8
- David A. Case (Thu Dec 07 2006 - 00:14:44 CST)
- Rachel (Mon Dec 04 2006 - 12:35:08 CST)
- Rachel (Mon Dec 04 2006 - 11:03:11 CST)
- David A. Case (Mon Dec 04 2006 - 10:23:15 CST)
- Rachel (Mon Dec 04 2006 - 09:59:34 CST)
AMBER: How to keep an hydrogen bond during an implicit MD calculation?
- j j (Fri Dec 01 2006 - 04:59:59 CST)
- a a (Fri Dec 01 2006 - 04:35:31 CST)
AMBER: How to make a movie with .crd files in VMD?
- Carlos Simmerling (Sat Dec 16 2006 - 12:54:37 CST)
- Chris Moth (Sat Dec 16 2006 - 12:35:13 CST)
- Nicolas Lux Fawzi (Sat Dec 16 2006 - 12:32:35 CST)
- bertrand russell (Sat Dec 16 2006 - 11:35:16 CST)
- Carlos Simmerling (Sat Dec 16 2006 - 07:22:04 CST)
- bertrand russell (Sat Dec 16 2006 - 04:03:53 CST)
AMBER: How to run QM/MM simulation of DNA duplex bound with platinum moietes
- Chengwen Chen (Wed Dec 13 2006 - 01:01:03 CST)
AMBER: ibelly not work
- Andy Purkiss-Trew (Thu Dec 07 2006 - 06:33:24 CST)
- Ross Walker (Wed Dec 06 2006 - 18:07:45 CST)
- JunJun Liu (Wed Dec 06 2006 - 17:22:34 CST)
AMBER: Installation help - SGI Altix 350
- David A. Case (Tue Dec 26 2006 - 15:45:54 CST)
- bertrand russell (Tue Dec 26 2006 - 02:25:10 CST)
- Gustavo Seabra (Fri Dec 22 2006 - 19:42:03 CST)
- bertrand russell (Thu Dec 21 2006 - 23:51:48 CST)
- Ross Walker (Wed Dec 20 2006 - 23:30:53 CST)
- bertrand russell (Wed Dec 20 2006 - 23:09:48 CST)
- Ross Walker (Wed Dec 20 2006 - 22:36:10 CST)
- bertrand russell (Wed Dec 20 2006 - 22:13:03 CST)
- Ross Walker (Wed Dec 20 2006 - 10:38:16 CST)
- Gustavo Seabra (Wed Dec 20 2006 - 09:31:01 CST)
- bertrand russell (Wed Dec 20 2006 - 04:47:03 CST)
AMBER: Installing Amber 9 on Mac Pro
- Mengjuei Hsieh (Mon Dec 11 2006 - 19:52:07 CST)
- Mathy Froeyen (Thu Dec 07 2006 - 06:54:48 CST)
- Burkhard Heil (Thu Dec 07 2006 - 04:54:00 CST)
AMBER: Ions analysis with hbond, How can I specify an input for hbond to probe ions interactions?
- j j (Mon Dec 04 2006 - 06:56:54 CST)
- Thomas Cheatham (Fri Dec 01 2006 - 16:01:35 CST)
- j j (Fri Dec 01 2006 - 14:28:24 CST)
- Thomas Cheatham (Fri Dec 01 2006 - 11:53:50 CST)
- j j (Fri Dec 01 2006 - 04:51:06 CST)
AMBER: Is there a way to simulate a box of pure water with amber
- Sergey Samsonov (Mon Dec 18 2006 - 01:43:27 CST)
- Bill Ross (Fri Dec 15 2006 - 13:06:49 CST)
- Ross Walker (Fri Dec 15 2006 - 12:52:53 CST)
- Li Su (Fri Dec 15 2006 - 12:28:12 CST)
AMBER: Is there anyway to recover the LISTOUT obtained after running a md with nmr restrictions
- j j (Mon Dec 04 2006 - 16:28:14 CST)
- David A. Case (Mon Dec 04 2006 - 11:45:11 CST)
- j j (Mon Dec 04 2006 - 11:10:26 CST)
AMBER: ISTRNG or SALT in MM_PBSA
- Qizhi Cui (Wed Dec 13 2006 - 21:23:48 CST)
AMBER: LEaP not recognising Phosphate group in TYR
- David A. Case (Thu Dec 07 2006 - 11:06:17 CST)
- bertrand russell (Thu Dec 07 2006 - 04:39:46 CST)
- David A. Case (Sat Dec 02 2006 - 11:52:44 CST)
- bertrand russell (Sat Dec 02 2006 - 10:41:23 CST)
AMBER: LEaP problem
- Fenghui Fan (Tue Dec 12 2006 - 00:32:06 CST)
- Bill Ross (Tue Dec 12 2006 - 00:24:33 CST)
- bertrand russell (Mon Dec 11 2006 - 23:10:48 CST)
AMBER: LogP
- Cenk Andac (Sat Dec 02 2006 - 04:44:06 CST)
AMBER: Making sure that Amber jobs use Infiniband?
- David A. Case (Fri Dec 01 2006 - 18:24:44 CST)
- Michael John Hanby (Fri Dec 01 2006 - 16:13:05 CST)
AMBER: MD with positional and NMR restraints
- David A. Case (Thu Dec 07 2006 - 17:54:33 CST)
- Mike Summers (Thu Dec 07 2006 - 17:34:07 CST)
- David A. Case (Thu Dec 07 2006 - 15:51:53 CST)
- Mike Summers (Thu Dec 07 2006 - 14:46:26 CST)
AMBER: MD with restraint (nmropt=1)
- Thomas Cheatham (Wed Dec 06 2006 - 23:14:56 CST)
- a a (Wed Dec 06 2006 - 22:48:32 CST)
- David A. Case (Wed Dec 06 2006 - 09:59:43 CST)
- a a (Wed Dec 06 2006 - 00:11:59 CST)
- David A. Case (Tue Dec 05 2006 - 15:24:37 CST)
- a a (Tue Dec 05 2006 - 02:11:38 CST)
AMBER: mixing GAFF and CHARMM
- Ravinder Abrol (Wed Dec 20 2006 - 18:58:36 CST)
- Christophe Guilbert (Wed Dec 20 2006 - 13:51:18 CST)
- Akshay Patny (Wed Dec 20 2006 - 11:46:45 CST)
- Ravinder Abrol (Wed Dec 20 2006 - 11:38:23 CST)
- ²ÜÈ½ (Wed Dec 20 2006 - 11:12:05 CST)
- Ravinder Abrol (Wed Dec 20 2006 - 01:09:08 CST)
AMBER: MM-PBSA
- Angelo (Mon Dec 18 2006 - 10:30:00 CST)
- Shozeb Haider (Mon Dec 18 2006 - 11:57:17 CST)
AMBER: MM-PBSA problem
- vanessa wai (Tue Dec 05 2006 - 19:33:35 CST)
- Ray Luo (Tue Dec 05 2006 - 13:16:32 CST)
- vanessa wai (Sun Dec 03 2006 - 19:52:25 CST)
- Ray Luo (Sat Dec 02 2006 - 09:55:46 CST)
- vanessa wai (Sat Dec 02 2006 - 03:08:15 CST)
- vanessa wai (Sat Dec 02 2006 - 03:11:18 CST)
- Ray Luo (Fri Dec 01 2006 - 15:51:52 CST)
- Varsha Goyal (Fri Dec 01 2006 - 15:35:27 CST)
AMBER: MM_PBSA
- David A. Case (Mon Dec 25 2006 - 16:15:26 CST)
- lily ferreira (Wed Dec 20 2006 - 07:46:00 CST)
- lily ferreira (Wed Dec 20 2006 - 07:42:20 CST)
AMBER: nonplanarity of NH2 groups
- Jiri Sponer (Thu Dec 07 2006 - 11:37:52 CST)
- FyD (Thu Dec 07 2006 - 11:17:54 CST)
- laura zanet (Wed Dec 06 2006 - 09:48:33 CST)
AMBER: Nucgen Problem
- Bill Ross (Fri Dec 22 2006 - 12:51:25 CST)
- Navnit Kumar Mishra (Fri Dec 22 2006 - 03:55:26 CST)
- puneet kacker (Fri Dec 22 2006 - 02:06:41 CST)
AMBER: parallel computation time vs serial computation time
- Robert Duke (Thu Dec 14 2006 - 08:16:22 CST)
- Cenk Andac (Thu Dec 14 2006 - 05:17:28 CST)
AMBER: Parallelization method
- Scott Brozell (Tue Dec 19 2006 - 12:58:07 CST)
- Robert Duke (Tue Dec 19 2006 - 12:29:09 CST)
- Jordi Camps (Tue Dec 19 2006 - 12:19:40 CST)
AMBER: parameter definitions
- David A. Case (Wed Dec 06 2006 - 13:00:34 CST)
- Ed Pate (Wed Dec 06 2006 - 12:27:15 CST)
AMBER: PCA analysis
- Jardas sucuriba (Wed Dec 27 2006 - 23:04:41 CST)
AMBER: perturbed and unperturbed charges
- David A. Case (Wed Dec 06 2006 - 12:22:37 CST)
- Rachel (Wed Dec 06 2006 - 11:24:24 CST)
AMBER: phantom sander8 in dmesg
- Lachele Foley (Lists) (Mon Dec 04 2006 - 11:21:12 CST)
AMBER: PMEMD and OpenMPI, anyone have config options?
- Michael John Hanby (Wed Dec 27 2006 - 14:04:50 CST)
AMBER: PMEMD scaling
- Robert Duke (Thu Dec 07 2006 - 08:17:46 CST)
- Tiziano Tuccinardi (Thu Dec 07 2006 - 02:46:49 CST)
AMBER: Problem about dummy atoms when running antechamber
- Junmei Wang (Thu Dec 07 2006 - 11:14:58 CST)
AMBER: problem at the start of heating up (using extra-point)
- David A. Case (Sun Dec 03 2006 - 16:04:25 CST)
- Cenk Andac (Sat Dec 02 2006 - 11:32:50 CST)
- Rachel (Sat Dec 02 2006 - 09:29:09 CST)
AMBER: problem of the REMD with nmr constraints
- wenfei Li (Thu Dec 07 2006 - 18:55:04 CST)
AMBER: Problem with LEaP
- FyD (Fri Dec 22 2006 - 13:42:13 CST)
AMBER: Problem with specifying NOSHAKEMASK
- Gobind Singh Bisht (Mon Dec 04 2006 - 22:26:16 CST)
- David A. Case (Mon Dec 04 2006 - 10:33:02 CST)
- Gobind Singh Bisht (Sun Dec 03 2006 - 21:11:57 CST)
- David A. Case (Sun Dec 03 2006 - 16:06:10 CST)
- Gobind Singh Bisht (Sun Dec 03 2006 - 09:26:27 CST)
- Carlos Simmerling (Sun Dec 03 2006 - 07:48:56 CST)
- Gobind Singh Bisht (Sun Dec 03 2006 - 04:42:01 CST)
AMBER: problems trying to modify Amber8
- Ed Pate (Thu Dec 28 2006 - 16:41:33 CST)
AMBER: problems with Calcium ions treatment in GB run
- David A. Case (Fri Dec 29 2006 - 01:56:25 CST)
- Piotr Cieplak (Thu Dec 28 2006 - 17:44:23 CST)
AMBER: ptraj vector corrplane bug
- Myunggi Yi (Mon Dec 04 2006 - 14:49:46 CST)
AMBER: QM/MD energy conservation
- Gustavo Seabra (Tue Dec 12 2006 - 08:02:39 CST)
- Evan Kelly (Mon Dec 11 2006 - 21:17:59 CST)
AMBER: question on protein folding simulation
- Noriaki Okimoto (Thu Dec 07 2006 - 06:25:51 CST)
- Yong Duan (Tue Dec 05 2006 - 13:57:45 CST)
- Fenghui Fan (Mon Dec 04 2006 - 18:47:32 CST)
- Gustavo Seabra (Mon Dec 04 2006 - 12:31:54 CST)
- Carlos Simmerling (Mon Dec 04 2006 - 06:32:16 CST)
- Noriaki Okimoto (Sun Dec 03 2006 - 20:43:11 CST)
- Noriaki Okimoto (Sun Dec 03 2006 - 20:51:17 CST)
- Fenghui Fan (Fri Dec 01 2006 - 13:56:06 CST)
- Yong Duan (Fri Dec 01 2006 - 12:32:58 CST)
- Noriaki Okimoto (Fri Dec 01 2006 - 06:01:27 CST)
AMBER: RDC refinement
- David A. Case (Fri Dec 08 2006 - 17:52:11 CST)
- Lee, Young-Tae (Fri Dec 08 2006 - 14:50:42 CST)
AMBER: RDF problem
- Esther Brugger (Tue Dec 12 2006 - 13:45:14 CST)
AMBER: rdparm
- Tim Meyer (Tue Dec 19 2006 - 09:22:45 CST)
- Thomas Cheatham (Sat Dec 16 2006 - 21:43:55 CST)
- venditti2_at_unisi.it (Fri Dec 15 2006 - 10:08:17 CST)
AMBER: recompiling bondtype.C
- David A. Case (Wed Dec 27 2006 - 12:30:10 CST)
- Seth Lilavivat (Wed Dec 27 2006 - 10:49:32 CST)
AMBER: RED - help with installation / config
- FyD (Thu Dec 21 2006 - 03:24:50 CST)
- Seth Lilavivat (Wed Dec 20 2006 - 09:18:49 CST)
AMBER: Renumber residues in LEAP
- David A. Case (Mon Dec 25 2006 - 16:11:34 CST)
- Akshay Patny (Tue Dec 19 2006 - 15:55:57 CST)
AMBER: Replica exchange rate in REMD
- Seongeun Yang (Thu Dec 21 2006 - 05:42:59 CST)
AMBER: RESP charge fitting for HFIP
- Mingfeng Yang (Wed Dec 20 2006 - 12:31:53 CST)
- FyD (Wed Dec 20 2006 - 01:21:42 CST)
- FyD (Tue Dec 19 2006 - 01:44:05 CST)
- Mingfeng Yang (Tue Dec 19 2006 - 01:17:24 CST)
- Raviprasad Aduri (Mon Dec 18 2006 - 21:46:05 CST)
- Mingfeng Yang (Mon Dec 18 2006 - 20:44:19 CST)
AMBER: RESP charges of iron-porphyrin system
- Shin Tokumoto (Thu Dec 14 2006 - 03:31:13 CST)
AMBER: RESP procedure for DMPC monomer
- linfu (Wed Dec 20 2006 - 18:54:43 CST)
- Akshay Patny (Wed Dec 20 2006 - 10:04:00 CST)
AMBER: sander error about fortran
- Scott Brozell (Mon Dec 04 2006 - 15:26:52 CST)
- Shuting Wei (Mon Dec 04 2006 - 11:02:52 CST)
- Scott Brozell (Sat Dec 02 2006 - 01:10:03 CST)
- Shuting Wei (Fri Dec 01 2006 - 09:58:25 CST)
AMBER: sander ntc=2 ntf=1
- Carlos Simmerling (Tue Dec 19 2006 - 05:39:38 CST)
- Nicolas Lux Fawzi (Mon Dec 18 2006 - 21:10:42 CST)
AMBER: Sander--NMR refinement
- David A. Case (Tue Dec 26 2006 - 12:44:46 CST)
- Esther Brugger (Thu Dec 21 2006 - 22:39:48 CST)
AMBER: sander: cannot execute binary file
- Kailee (Tue Dec 19 2006 - 10:13:48 CST)
- Ross Walker (Mon Dec 18 2006 - 13:52:05 CST)
- Kailee (Mon Dec 18 2006 - 11:06:36 CST)
- Kailee (Mon Dec 18 2006 - 10:41:11 CST)
- David A. Case (Fri Dec 15 2006 - 11:48:49 CST)
- Kailee (Fri Dec 15 2006 - 11:25:21 CST)
- Ross Walker (Thu Dec 14 2006 - 17:15:46 CST)
- Michael John Hanby (Thu Dec 14 2006 - 15:52:23 CST)
- Kailee (Thu Dec 14 2006 - 09:53:50 CST)
AMBER: setBox with buffer in leap
- David A. Case (Tue Dec 12 2006 - 10:30:25 CST)
- Scott Brozell (Mon Dec 11 2006 - 23:08:38 CST)
- Steven Winfield (Wed Dec 06 2006 - 18:43:58 CST)
- Steven Winfield (Wed Dec 06 2006 - 13:05:22 CST)
AMBER: Simulated Annealing problem...
- sai vikram (Sat Dec 30 2006 - 07:12:53 CST)
- David A. Case (Fri Dec 29 2006 - 10:56:06 CST)
- sai vikram (Fri Dec 29 2006 - 04:33:50 CST)
AMBER: Simulating proteins with calcium ion
- Qing Zhang (Sat Dec 23 2006 - 01:26:11 CST)
- ÕÅÓÂ (Fri Dec 22 2006 - 19:02:57 CST)
- Bill Ross (Fri Dec 22 2006 - 15:12:50 CST)
- Qing Zhang (Fri Dec 22 2006 - 14:22:53 CST)
- Qing Zhang (Fri Dec 22 2006 - 14:17:05 CST)
- Bill Ross (Fri Dec 22 2006 - 13:51:07 CST)
- Qing Zhang (Fri Dec 22 2006 - 13:32:43 CST)
- ÕÅÓÂ (Tue Dec 12 2006 - 18:25:03 CST)
- Bill Ross (Tue Dec 12 2006 - 13:47:48 CST)
- Karen Callahan (Tue Dec 12 2006 - 13:19:49 CST)
- Qing Zhang (Fri Dec 08 2006 - 18:31:02 CST)
- Thomas Cheatham (Thu Dec 07 2006 - 21:23:26 CST)
- Fenghui Fan (Thu Dec 07 2006 - 19:56:02 CST)
- Qing Zhang (Thu Dec 07 2006 - 18:15:42 CST)
AMBER: Solvating a bilayer
- Matthew Tessier (Fri Dec 15 2006 - 13:32:25 CST)
AMBER: Test Message Please Ignore
- Ross Walker (Thu Dec 14 2006 - 15:01:07 CST)
AMBER: Test Message Please Ignore.
- Ross Walker (Thu Dec 14 2006 - 15:01:07 CST)
AMBER: tetrolic acid
- Russell Glavey (Thu Dec 21 2006 - 06:29:35 CST)
AMBER: The VDW correctioin
- J. Zhang (Sun Dec 03 2006 - 20:29:28 CST)
AMBER: tree name generated by tleap is different from the input PREP parameter file
- Bill Ross (Fri Dec 29 2006 - 21:00:26 CST)
- xiaoqin huang (Thu Dec 28 2006 - 18:53:39 CST)
- xiaoqin huang (Thu Dec 28 2006 - 10:48:14 CST)
AMBER: Unit 5 Error on OPEN: md.in
- Chris Moth (Sat Dec 16 2006 - 12:27:17 CST)
- Chris Moth (Sat Dec 16 2006 - 12:25:03 CST)
- Rachel (Sat Dec 16 2006 - 12:01:12 CST)
- Rachel (Wed Dec 13 2006 - 13:55:58 CST)
AMBER: Volume of ucell too big
- Nicolas Lux Fawzi (Sat Dec 16 2006 - 12:37:31 CST)
- Atsutoshi Okabe (Sat Dec 16 2006 - 02:41:43 CST)
AMBER: What's going wrong when I use antechamber dealing with lipid molecular?
- Fenghui Fan (Wed Dec 06 2006 - 20:51:41 CST)
- ²ÜÈ½ (Wed Dec 06 2006 - 19:05:55 CST)
AMBER: xleap problems
- David A. Case (Mon Dec 04 2006 - 10:26:20 CST)
- Cenk Andac (Mon Dec 04 2006 - 09:46:34 CST)
- anna.schrey_at_gmx.de (Mon Dec 04 2006 - 05:45:07 CST)
AMBER: xleap, generating prep file
- Seth Lilavivat (Thu Dec 21 2006 - 10:49:56 CST)
AMBER: Zn2+ and Ca2+ ions explicitly treated in MMPB/GB/SA
- Piotr Cieplak (Mon Dec 04 2006 - 18:20:02 CST)
protein simulation using AMBER
- Ross Walker (Sat Dec 30 2006 - 00:51:09 CST)

Last message date: Sat Dec 30 2006 - 07:20:23 CST
Archived on: Wed Feb 21 2007 - 22:44:17 CST

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