Amber Archive Apr 2012: by subject

"closest" command in cpptraj
- Alfredo Quevedo (Tue Apr 17 2012 - 08:18:21 PDT)
- Daniel Roe (Tue Apr 17 2012 - 08:05:00 PDT)
- Alfredo Quevedo (Tue Apr 17 2012 - 07:37:00 PDT)
- Daniel Roe (Tue Apr 17 2012 - 07:35:40 PDT)
- Thomas Evangelidis (Tue Apr 17 2012 - 07:29:51 PDT)
- Alfredo Quevedo (Tue Apr 17 2012 - 07:22:32 PDT)
- Daniel Roe (Tue Apr 17 2012 - 06:14:43 PDT)
- Alfredo Quevedo (Tue Apr 17 2012 - 05:44:20 PDT)
[AMBER] "closest" command in cpptraj
- Daniel Roe (Mon Apr 16 2012 - 14:25:54 PDT)
- Alfredo Quevedo (Mon Apr 16 2012 - 12:57:11 PDT)
[AMBER] "Possible Failures" in Amber 11 and Amber tools tests
- Dureid El-Moghraby (Tue Apr 03 2012 - 03:27:49 PDT)
[AMBER] "Spiderweb"
- FyD (Thu Apr 26 2012 - 08:57:31 PDT)
- Ross Walker (Thu Apr 26 2012 - 06:59:00 PDT)
- jun kit (Thu Apr 26 2012 - 06:52:19 PDT)
[AMBER] (GPU) preformance of amber 12
- Ross Walker (Mon Apr 23 2012 - 19:13:30 PDT)
- István Lőrincz (Mon Apr 23 2012 - 03:37:34 PDT)
- Scott Le Grand (Fri Apr 20 2012 - 09:44:09 PDT)
- István Lőrincz (Fri Apr 20 2012 - 08:33:37 PDT)
[AMBER] 1-4 EEL meaning
- Jason Swails (Wed Apr 25 2012 - 15:23:54 PDT)
- Camille Sultana (Wed Apr 25 2012 - 15:02:30 PDT)
- Thomas Cheatham (Wed Apr 25 2012 - 11:34:24 PDT)
- Camille Sultana (Wed Apr 25 2012 - 11:21:08 PDT)
[AMBER] 2FE-2S cluster proteins topology and parameters files
- Markus Kaukonen (Tue Apr 10 2012 - 23:30:00 PDT)
- Angelo Gallo CERM (Tue Apr 10 2012 - 09:49:46 PDT)
[AMBER] : wrong charge calculation by xleap
- Sharma, Purshotam (Fri Apr 13 2012 - 22:51:05 PDT)
- Bill Ross (Fri Apr 13 2012 - 22:21:46 PDT)
- Sharma, Purshotam (Fri Apr 13 2012 - 20:49:01 PDT)
- Sharma, Purshotam (Fri Apr 13 2012 - 20:46:29 PDT)
- case (Fri Apr 13 2012 - 20:26:50 PDT)
- raghav singh (Fri Apr 13 2012 - 19:48:55 PDT)
- Sharma, Purshotam (Fri Apr 13 2012 - 17:52:02 PDT)
[AMBER] [amber] error building proper torsion parameters.
- David A Case (Wed Apr 25 2012 - 05:30:37 PDT)
- 本人 (Wed Apr 25 2012 - 00:45:05 PDT)
- David A Case (Mon Apr 23 2012 - 09:47:45 PDT)
- 本人 (Mon Apr 23 2012 - 08:02:37 PDT)
[AMBER] [amber] error: could not parse gb output files! check for missing values (*********).
- Jason Swails (Sat Apr 14 2012 - 08:54:44 PDT)
- zhangaidi (Sat Apr 14 2012 - 04:57:24 PDT)
[AMBER] a question related to force field
- FyD (Sun Apr 01 2012 - 22:24:37 PDT)
- Acoot Brett (Sun Apr 01 2012 - 15:09:46 PDT)
- M. L. Dodson (Sun Apr 01 2012 - 15:09:26 PDT)
- Ben Roberts (Sun Apr 01 2012 - 15:08:32 PDT)
- Carlos Simmerling (Sun Apr 01 2012 - 15:02:02 PDT)
- Acoot Brett (Sun Apr 01 2012 - 14:59:39 PDT)
[AMBER] abertools12 installation failure
- Jason Swails (Wed Apr 18 2012 - 09:54:14 PDT)
- Francesco Pietra (Mon Apr 16 2012 - 00:37:25 PDT)
- Jason Swails (Sun Apr 15 2012 - 17:44:51 PDT)
- case (Sun Apr 15 2012 - 13:37:17 PDT)
- Francesco Pietra (Sun Apr 15 2012 - 10:07:45 PDT)
- Jason Swails (Sun Apr 15 2012 - 08:22:21 PDT)
- Francesco Pietra (Sun Apr 15 2012 - 00:53:03 PDT)
[AMBER] About force constant in umbrella sampling
- Brian Radak (Thu Apr 19 2012 - 11:11:38 PDT)
- Mo Chen (Thu Apr 19 2012 - 10:46:34 PDT)
[AMBER] About Restraint
- Jun Wang (Wed Apr 18 2012 - 07:48:14 PDT)
- Thomas Cheatham (Tue Apr 17 2012 - 20:30:03 PDT)
- Aron Broom (Tue Apr 17 2012 - 19:47:06 PDT)
- Jun Wang (Tue Apr 17 2012 - 19:33:09 PDT)
[AMBER] about sander and pmemd
- David A Case (Wed Apr 11 2012 - 11:26:14 PDT)
- bmartini (Wed Apr 11 2012 - 10:03:15 PDT)
[AMBER] add_pdb
- Jason Swails (Thu Apr 26 2012 - 05:56:20 PDT)
- colvin (Thu Apr 26 2012 - 01:39:46 PDT)
- case (Wed Apr 25 2012 - 19:21:28 PDT)
- Jason Swails (Wed Apr 25 2012 - 18:36:47 PDT)
- colvin (Wed Apr 25 2012 - 17:39:58 PDT)
- Jason Swails (Wed Apr 25 2012 - 17:06:12 PDT)
- colvin (Wed Apr 25 2012 - 17:02:06 PDT)
- David A Case (Wed Apr 25 2012 - 05:26:51 PDT)
- colvin (Wed Apr 25 2012 - 02:12:21 PDT)
[AMBER] addions command in the xleap
- Aron Broom (Sat Apr 21 2012 - 05:14:53 PDT)
- Acoot Brett (Fri Apr 20 2012 - 21:57:28 PDT)
[AMBER] AM1 scalability
- Marc van der Kamp (Tue Apr 24 2012 - 08:29:45 PDT)
- Jacopo Sgrignani (Tue Apr 24 2012 - 08:12:00 PDT)
[AMBER] amber 10 nmode error.
- xmzpzengs (Mon Apr 23 2012 - 01:26:04 PDT)
[AMBER] AMBER 11 sander segmentation fault
- case (Mon Apr 23 2012 - 18:24:18 PDT)
- Shuyi Cao (Mon Apr 23 2012 - 16:32:21 PDT)
[AMBER] Amber 12 - Check for updates failed
- Shaw, Sharon (Thu Apr 19 2012 - 13:48:05 PDT)
- Shaw, Sharon (Thu Apr 19 2012 - 12:37:06 PDT)
- Jason Swails (Thu Apr 19 2012 - 12:24:55 PDT)
- Shaw, Sharon (Thu Apr 19 2012 - 12:08:26 PDT)
[AMBER] Amber 12 Installation errors relevant to fftw3
- M. L. Dodson (Sat Apr 28 2012 - 06:10:06 PDT)
- Shulin Zhuang (Fri Apr 27 2012 - 23:21:31 PDT)
- David A Case (Thu Apr 26 2012 - 12:25:23 PDT)
- M. L. Dodson (Thu Apr 26 2012 - 08:32:44 PDT)
- Jason Swails (Thu Apr 26 2012 - 07:29:10 PDT)
- case (Wed Apr 25 2012 - 19:30:22 PDT)
- Shulin Zhuang (Wed Apr 25 2012 - 17:49:21 PDT)
- Jason Swails (Wed Apr 25 2012 - 17:37:50 PDT)
- Shulin Zhuang (Wed Apr 25 2012 - 17:23:32 PDT)
- David A Case (Wed Apr 25 2012 - 05:12:20 PDT)
- Shulin Zhuang (Tue Apr 24 2012 - 18:08:07 PDT)
- David A Case (Tue Apr 24 2012 - 05:31:38 PDT)
- Shulin Zhuang (Tue Apr 24 2012 - 02:15:05 PDT)
[AMBER] amber 12 with intel compiler failed
- Jason Swails (Fri Apr 27 2012 - 13:27:17 PDT)
- Albert (Fri Apr 27 2012 - 13:23:30 PDT)
- Albert (Fri Apr 27 2012 - 13:13:04 PDT)
- Jason Swails (Fri Apr 27 2012 - 12:41:17 PDT)
- Albert (Fri Apr 27 2012 - 12:34:49 PDT)
[AMBER] AMBER 99SB force field used by GROMACS
- Acoot Brett (Tue Apr 10 2012 - 22:03:22 PDT)
- Lorenzo Gontrani (Tue Apr 10 2012 - 07:39:51 PDT)
- steinbrt.rci.rutgers.edu (Tue Apr 10 2012 - 07:18:40 PDT)
- Adrian Roitberg (Tue Apr 10 2012 - 06:26:18 PDT)
- Acoot Brett (Tue Apr 10 2012 - 06:25:12 PDT)
[AMBER] AMBER Digest, Vol 121, Issue 2
- Alfredo Quevedo (Wed Apr 11 2012 - 12:33:10 PDT)
[AMBER] Amber GPU test fails
- Ross Walker (Mon Apr 02 2012 - 21:08:07 PDT)
- Jason Swails (Mon Apr 02 2012 - 20:53:42 PDT)
- Mohammad Ashraf Bhuiyan (Mon Apr 02 2012 - 17:44:07 PDT)
[AMBER] AMBER USER
- José Guilherme Vilhena Albuquerque d'Orey (Mon Apr 16 2012 - 03:03:00 PDT)
[AMBER] Amber using Gaussian input
- Scott Brozell (Tue Apr 24 2012 - 00:51:32 PDT)
- ashley chen (Mon Apr 23 2012 - 23:51:45 PDT)
[AMBER] Amber11: running ptraj
- bmartini (Wed Apr 18 2012 - 11:45:42 PDT)
- Thomas Cheatham III (Wed Apr 18 2012 - 11:37:24 PDT)
- bmartini (Wed Apr 18 2012 - 11:26:38 PDT)
[AMBER] AMBER12 build on Linux x86_64
- Shaw, Sharon (Tue Apr 24 2012 - 13:11:07 PDT)
- Jason Swails (Tue Apr 24 2012 - 08:33:30 PDT)
- Jason Swails (Tue Apr 24 2012 - 08:32:27 PDT)
- Shaw, Sharon (Tue Apr 24 2012 - 08:00:37 PDT)
- case (Mon Apr 23 2012 - 18:11:15 PDT)
- Jason Swails (Mon Apr 23 2012 - 15:27:50 PDT)
- Shaw, Sharon (Mon Apr 23 2012 - 13:51:14 PDT)
- Jason Swails (Mon Apr 23 2012 - 12:31:21 PDT)
- Matthew Zwier (Mon Apr 23 2012 - 12:16:41 PDT)
- Shaw, Sharon (Mon Apr 23 2012 - 11:41:36 PDT)
[AMBER] Amber12 compile with "intel" err.
- Jason Swails (Sat Apr 14 2012 - 12:40:58 PDT)
- case (Sat Apr 14 2012 - 10:55:38 PDT)
- Jason Swails (Sat Apr 14 2012 - 08:47:39 PDT)
- javacfish (Sat Apr 14 2012 - 07:48:05 PDT)
[AMBER] AMBER12 installation error
- Peter Fojan (Wed Apr 25 2012 - 09:57:40 PDT)
- Jason Swails (Wed Apr 25 2012 - 09:08:09 PDT)
- Peter Fojan (Wed Apr 25 2012 - 05:45:32 PDT)
- David A Case (Wed Apr 25 2012 - 05:16:15 PDT)
- Peter Fojan (Wed Apr 25 2012 - 01:29:13 PDT)
[AMBER] AMBER12 QM/MM: is d-orbital code going to be parallelized?
- filip fratev (Fri Apr 20 2012 - 20:35:25 PDT)
- filip fratev (Thu Apr 19 2012 - 22:30:55 PDT)
- Andreas Goetz (Thu Apr 19 2012 - 12:50:42 PDT)
- Marc van der Kamp (Tue Apr 17 2012 - 02:23:43 PDT)
- Brian Radak (Mon Apr 16 2012 - 10:34:57 PDT)
- David A Case (Mon Apr 16 2012 - 10:08:54 PDT)
- filip fratev (Mon Apr 16 2012 - 09:26:03 PDT)
- Marc van der Kamp (Mon Apr 16 2012 - 08:57:39 PDT)
[AMBER] AMBERHOME is not recognized by ./configure
- Genzo Tanaka (Thu Apr 05 2012 - 14:04:21 PDT)
- Jason Swails (Wed Apr 04 2012 - 21:11:19 PDT)
- Ben Roberts (Wed Apr 04 2012 - 15:24:02 PDT)
- Genzo Tanaka (Wed Apr 04 2012 - 15:15:12 PDT)
[AMBER] Ambertools 12 installation: Help needed
- case (Sat Apr 14 2012 - 06:32:21 PDT)
- Acoot Brett (Sat Apr 14 2012 - 02:43:19 PDT)
[AMBER] AmberTools-1.5 installation problems
- case (Mon Apr 02 2012 - 15:06:15 PDT)
- Genzo Tanaka (Mon Apr 02 2012 - 14:30:08 PDT)
- David A Case (Mon Apr 02 2012 - 05:19:13 PDT)
- Genzo Tanaka (Mon Apr 02 2012 - 04:16:51 PDT)
[AMBER] Ambertools12 cygwin install keeps asking for csh?????
- Dean Cuebas (Wed Apr 11 2012 - 11:59:59 PDT)
- Dean Cuebas (Wed Apr 11 2012 - 11:28:08 PDT)
[AMBER] AmberTools12 Installation Error
- Jason Swails (Mon Apr 16 2012 - 14:45:14 PDT)
- Senthil Natesan (Mon Apr 16 2012 - 12:59:20 PDT)
[AMBER] AmberTools12 Installation Error - [SOLVED]
- Senthil Natesan (Mon Apr 16 2012 - 17:40:28 PDT)
[AMBER] an error message in installation of AMBERTOOLS12
- Jason Swails (Sun Apr 08 2012 - 04:45:24 PDT)
- Acoot Brett (Sat Apr 07 2012 - 17:52:30 PDT)
[AMBER] Angle restrained minimization
- David A Case (Wed Apr 25 2012 - 09:41:29 PDT)
- Ashutosh Shandilya (Wed Apr 25 2012 - 06:39:52 PDT)
[AMBER] Angle restraints
- David A Case (Fri Apr 27 2012 - 07:10:47 PDT)
- Komal Soni (Fri Apr 27 2012 - 06:14:15 PDT)
[AMBER] Announcement: release of Amber12 and AmberTools12
- David A Case (Wed Apr 04 2012 - 07:09:32 PDT)
[AMBER] Asking About Differences between amber force field ff10 and ff03
- David A Case (Mon Apr 02 2012 - 05:14:32 PDT)
- setyanto md (Mon Apr 02 2012 - 01:30:42 PDT)
[AMBER] binding energy calculations
- Jason Swails (Tue Apr 10 2012 - 14:14:18 PDT)
- kirtana S (Tue Apr 10 2012 - 10:04:29 PDT)
- Jason Swails (Mon Apr 09 2012 - 21:33:49 PDT)
- kirtana S (Mon Apr 09 2012 - 18:33:25 PDT)
- David A Case (Mon Apr 09 2012 - 13:38:44 PDT)
- kirtana S (Mon Apr 09 2012 - 13:25:06 PDT)
- Jason Swails (Sat Apr 07 2012 - 12:09:03 PDT)
- kirtana S (Sat Apr 07 2012 - 11:57:41 PDT)
- Aron Broom (Fri Apr 06 2012 - 22:55:47 PDT)
- kirtana S (Fri Apr 06 2012 - 22:35:47 PDT)
- case (Fri Apr 06 2012 - 18:04:59 PDT)
- kirtana S (Fri Apr 06 2012 - 10:41:53 PDT)
[AMBER] Bug? Antechamber, Ambertools-1.4
- Lianhu Wei (Thu Apr 19 2012 - 13:11:46 PDT)
[AMBER] Calculating B-factor in ptraj
- mish (Tue Apr 10 2012 - 11:27:27 PDT)
- Gonzalo Jimenez (Tue Apr 10 2012 - 11:16:04 PDT)
- mish (Tue Apr 10 2012 - 10:55:28 PDT)
[AMBER] calculation mean B factor of a PDB file
- Daniel Roe (Sat Apr 28 2012 - 06:36:23 PDT)
- Acoot Brett (Sat Apr 28 2012 - 02:42:28 PDT)
[AMBER] calculation parallel
- Ben Roberts (Sat Apr 28 2012 - 22:58:30 PDT)
- xiaojiong (Sat Apr 28 2012 - 17:59:56 PDT)
[AMBER] Can anyone point out whether my ambertools and amber test failures are significant
- Jason Swails (Sun Apr 01 2012 - 08:54:05 PDT)
- Acoot Brett (Sun Apr 01 2012 - 04:17:39 PDT)
[AMBER] Can MMPBSA calculate the binding energy in organic solvent?
- Liu Denis (Fri Apr 13 2012 - 08:20:33 PDT)
[AMBER] close PME in AMBER 10
- Jason Swails (Wed Apr 04 2012 - 10:36:52 PDT)
- Qian Wang (Wed Apr 04 2012 - 10:17:08 PDT)
[AMBER] closest command
- Qiong Zhang (Fri Apr 13 2012 - 08:41:05 PDT)
- Daniel Roe (Fri Apr 13 2012 - 06:45:15 PDT)
- Qiong Zhang (Fri Apr 13 2012 - 05:51:24 PDT)
- Daniel Roe (Fri Apr 13 2012 - 04:33:32 PDT)
- Qiong Zhang (Thu Apr 12 2012 - 18:29:44 PDT)
- Daniel Roe (Thu Apr 12 2012 - 16:02:01 PDT)
- Qiong Zhang (Thu Apr 12 2012 - 14:30:55 PDT)
[AMBER] computational scanning
- Gould, Ian R (Wed Apr 25 2012 - 08:15:45 PDT)
- Carlos Simmerling (Wed Apr 25 2012 - 08:11:13 PDT)
- Hector A. Baldoni (Wed Apr 25 2012 - 08:06:57 PDT)
[AMBER] Confusion in adding TER cards
- David A Case (Fri Apr 20 2012 - 13:13:28 PDT)
- Asmita Gupta (Fri Apr 20 2012 - 04:05:24 PDT)
[AMBER] constant pH titration
- Jason Swails (Sat Apr 21 2012 - 07:08:17 PDT)
- Acoot Brett (Fri Apr 20 2012 - 23:38:58 PDT)
[AMBER] Could not read velocities from restart file
- David Condon (Wed Apr 11 2012 - 18:04:40 PDT)
- Ross Walker (Wed Apr 11 2012 - 12:37:04 PDT)
- David Condon (Wed Apr 11 2012 - 11:45:15 PDT)
- Aron Broom (Wed Apr 11 2012 - 06:24:31 PDT)
- David Condon (Wed Apr 11 2012 - 06:06:35 PDT)
- Ross Walker (Tue Apr 10 2012 - 15:49:33 PDT)
- Bill Ross (Tue Apr 10 2012 - 15:42:48 PDT)
- Ross Walker (Tue Apr 10 2012 - 15:31:43 PDT)
- Ross Walker (Tue Apr 10 2012 - 15:24:05 PDT)
- Bill Ross (Tue Apr 10 2012 - 15:09:48 PDT)
- Ross Walker (Tue Apr 10 2012 - 13:59:26 PDT)
- Aron Broom (Tue Apr 10 2012 - 13:33:47 PDT)
- Ross Walker (Tue Apr 10 2012 - 13:20:38 PDT)
- David A Case (Tue Apr 10 2012 - 13:20:24 PDT)
- David Condon (Tue Apr 10 2012 - 11:59:02 PDT)
- Ross Walker (Tue Apr 10 2012 - 11:41:49 PDT)
- Aron Broom (Tue Apr 10 2012 - 11:18:54 PDT)
- David Condon (Tue Apr 10 2012 - 11:16:40 PDT)
- steinbrt.rci.rutgers.edu (Tue Apr 10 2012 - 07:08:14 PDT)
- David Condon (Tue Apr 10 2012 - 06:13:57 PDT)
[AMBER] cpptraj, ptraj and time interval
- Jason Swails (Sat Apr 21 2012 - 07:25:06 PDT)
- David A Case (Fri Apr 20 2012 - 13:05:02 PDT)
- Fabrício Bracht (Fri Apr 20 2012 - 11:23:56 PDT)
- Jan-Philip Gehrcke (Fri Apr 20 2012 - 08:15:04 PDT)
- Fabrício Bracht (Fri Apr 20 2012 - 07:25:52 PDT)
- Daniel Roe (Thu Apr 19 2012 - 17:41:49 PDT)
- Liu Denis (Thu Apr 19 2012 - 17:38:39 PDT)
- Fabrício Bracht (Thu Apr 19 2012 - 10:15:07 PDT)
[AMBER] creating a box of fixed size
- Lorenzo Gontrani (Thu Apr 26 2012 - 06:55:48 PDT)
- francesco oteri (Thu Apr 26 2012 - 06:34:25 PDT)
- Bala subramanian (Thu Apr 26 2012 - 02:44:55 PDT)
[AMBER] Creating a concatenated coordinate file for LES
- Carlos Simmerling (Mon Apr 30 2012 - 09:24:33 PDT)
- Sajeewa Pemasinghe (Thu Apr 26 2012 - 19:01:22 PDT)
- Sajeewa Pemasinghe (Thu Apr 26 2012 - 14:38:15 PDT)
[AMBER] Creating input file for Protein-protein simulation
- David A Case (Wed Apr 18 2012 - 04:56:42 PDT)
- Tommy Yap (Tue Apr 17 2012 - 20:09:54 PDT)
- filip fratev (Tue Apr 17 2012 - 10:14:36 PDT)
- Tommy Yap (Tue Apr 17 2012 - 00:51:41 PDT)
[AMBER] crystallographic artifacts
- ashwini gupta (Mon Apr 09 2012 - 23:33:54 PDT)
[AMBER] cygwin xleap cannot open display
- David A Case (Thu Apr 05 2012 - 07:32:13 PDT)
- Acoot Brett (Thu Apr 05 2012 - 06:35:36 PDT)
[AMBER] debug energy into individual atoms
- Jorgen Simonsen (Sun Apr 01 2012 - 14:16:39 PDT)
[AMBER] Dielectric constant and scaled charges
- David A Case (Wed Apr 18 2012 - 05:09:24 PDT)
- Lorenzo Gontrani (Wed Apr 18 2012 - 03:34:09 PDT)
[AMBER] distance dependent dielectric constant
- David A Case (Thu Apr 05 2012 - 05:24:22 PDT)
- kanika sharma (Wed Apr 04 2012 - 22:46:15 PDT)
- David A Case (Wed Apr 04 2012 - 06:10:15 PDT)
- kanika sharma (Wed Apr 04 2012 - 05:42:17 PDT)
[AMBER] Electrostatic potential calculation
- Ray Luo, Ph.D. (Sat Apr 28 2012 - 21:05:32 PDT)
- Sudarshan Debnath (Sat Apr 28 2012 - 05:13:08 PDT)
- Ray Luo, Ph.D. (Mon Apr 16 2012 - 07:12:50 PDT)
- Sudarshan Debnath (Mon Apr 16 2012 - 06:47:57 PDT)
- Ray Luo, Ph.D. (Sat Apr 14 2012 - 14:36:34 PDT)
- case (Sat Apr 14 2012 - 06:38:17 PDT)
- Sudarshan Debnath (Sat Apr 14 2012 - 06:03:52 PDT)
- Ray Luo, Ph.D. (Fri Apr 13 2012 - 22:54:33 PDT)
- Sudarshan Debnath (Fri Apr 13 2012 - 21:43:31 PDT)
- case (Fri Apr 13 2012 - 20:09:17 PDT)
- Sudarshan Debnath (Fri Apr 13 2012 - 09:50:53 PDT)
- Sudarshan Debnath (Fri Apr 13 2012 - 07:17:04 PDT)
[AMBER] Entropy: nmode and quasi-harmonic approximation
- George Tzotzos (Tue Apr 24 2012 - 04:50:46 PDT)
- Hannes Loeffler (Tue Apr 24 2012 - 02:58:16 PDT)
- George Tzotzos (Tue Apr 24 2012 - 02:24:15 PDT)
[AMBER] error Building proper torsion parameters.
- David A Case (Fri Apr 20 2012 - 12:56:49 PDT)
- zhangaidi (Fri Apr 20 2012 - 10:52:29 PDT)
[AMBER] Error compiling pmemd.cuda.MPI
- Ross Walker (Fri Apr 13 2012 - 12:46:04 PDT)
- Alfredo Quevedo (Fri Apr 13 2012 - 12:21:11 PDT)
- Ross Walker (Fri Apr 13 2012 - 09:21:49 PDT)
- Alfredo Quevedo (Fri Apr 13 2012 - 08:51:17 PDT)
[AMBER] error in AMBER while generatting prmtop and ipcrd
- David A Case (Mon Apr 23 2012 - 09:51:57 PDT)
- kureeckal ramesh (Mon Apr 23 2012 - 01:56:11 PDT)
[AMBER] error in decomposition analysis using ambertools 1.5
- manikanthan bhavaraju (Mon Apr 30 2012 - 18:13:24 PDT)
- Jason Swails (Mon Apr 30 2012 - 17:12:49 PDT)
- manikanthan bhavaraju (Mon Apr 30 2012 - 16:09:07 PDT)
- Jason Swails (Mon Apr 30 2012 - 15:11:46 PDT)
- manikanthan bhavaraju (Mon Apr 30 2012 - 14:25:30 PDT)
[AMBER] error in making prmtop & inpcrd for ligand-protein complex
- Jason Swails (Mon Apr 02 2012 - 20:41:35 PDT)
- Aditya Setiajid (Mon Apr 02 2012 - 19:32:03 PDT)
- steinbrt.rci.rutgers.edu (Mon Apr 02 2012 - 06:50:45 PDT)
- Aditya Setiajid (Mon Apr 02 2012 - 06:39:35 PDT)
- David A Case (Mon Apr 02 2012 - 05:08:56 PDT)
- Aditya Setiajid (Sun Apr 01 2012 - 23:33:08 PDT)
[AMBER] error in parallel amber 11 installation
- Asmita Gupta (Thu Apr 26 2012 - 05:24:36 PDT)
- David A Case (Wed Apr 25 2012 - 05:22:04 PDT)
- Asmita Gupta (Wed Apr 25 2012 - 01:31:00 PDT)
- Jason Swails (Tue Apr 24 2012 - 06:10:29 PDT)
- David A Case (Tue Apr 24 2012 - 05:41:26 PDT)
- Asmita Gupta (Tue Apr 24 2012 - 02:43:06 PDT)
[AMBER] error installing Amber12-gpu version
- Vijay Manickam Achari (Fri Apr 20 2012 - 05:19:55 PDT)
- Vijay Manickam Achari (Wed Apr 18 2012 - 07:49:41 PDT)
- David A Case (Wed Apr 18 2012 - 04:52:39 PDT)
- Jan-Philip Gehrcke (Wed Apr 18 2012 - 01:18:32 PDT)
- Vijay Manickam Achari (Wed Apr 18 2012 - 00:11:39 PDT)
- Thomas Cheatham (Tue Apr 17 2012 - 20:04:34 PDT)
- Aron Broom (Tue Apr 17 2012 - 19:49:10 PDT)
- Vijay Manickam Achari (Tue Apr 17 2012 - 19:37:59 PDT)
- Jason Swails (Tue Apr 17 2012 - 11:38:19 PDT)
- Vijay Manickam Achari (Tue Apr 17 2012 - 09:06:41 PDT)
- Vijay Manickam Achari (Tue Apr 17 2012 - 00:58:30 PDT)
- Jason Swails (Mon Apr 16 2012 - 11:53:46 PDT)
- David A Case (Mon Apr 16 2012 - 06:19:59 PDT)
- Vijay Manickam Achari (Mon Apr 16 2012 - 05:48:37 PDT)
- javacfish (Mon Apr 16 2012 - 02:15:10 PDT)
- Vijay Manickam Achari (Mon Apr 16 2012 - 01:25:09 PDT)
[AMBER] Error loading Glycam_06 parameters in xLEaP / tleap
- Kepa K. Burusco (Mon Apr 16 2012 - 03:19:42 PDT)
- Lachele Foley (Lists) (Fri Apr 13 2012 - 10:37:51 PDT)
- Kepa K. Burusco (Fri Apr 13 2012 - 10:25:59 PDT)
[AMBER] Error while running mm_pbsa.pl
- Ray Luo, Ph.D. (Mon Apr 16 2012 - 09:33:09 PDT)
- Prashant Kumar (Mon Apr 16 2012 - 08:30:14 PDT)
[AMBER] error with chamber
- Joshua Adelman (Tue Apr 03 2012 - 15:08:31 PDT)
- Crowley, Michael (Tue Apr 03 2012 - 13:47:27 PDT)
- Albert (Tue Apr 03 2012 - 13:39:27 PDT)
- Crowley, Michael (Tue Apr 03 2012 - 13:35:36 PDT)
- Albert (Tue Apr 03 2012 - 13:28:54 PDT)
- Crowley, Michael (Tue Apr 03 2012 - 13:25:55 PDT)
- Albert (Tue Apr 03 2012 - 13:21:02 PDT)
- Crowley, Michael (Tue Apr 03 2012 - 13:18:00 PDT)
- Albert (Tue Apr 03 2012 - 13:15:22 PDT)
[AMBER] Error: Could not parse GB output files! Check for missing values (*********).
- Jason Swails (Wed Apr 11 2012 - 11:58:03 PDT)
- zhangaidi (Wed Apr 11 2012 - 07:35:40 PDT)
- zhangaidi (Wed Apr 11 2012 - 07:24:50 PDT)
[AMBER] Error: unspecified launch failure launching kernel kReduceForces
- Scott Le Grand (Wed Apr 11 2012 - 08:57:43 PDT)
- Aron Broom (Mon Apr 02 2012 - 10:57:26 PDT)
- Ross Walker (Mon Apr 02 2012 - 09:56:55 PDT)
- Aron Broom (Mon Apr 02 2012 - 09:43:21 PDT)
- Ross Walker (Mon Apr 02 2012 - 09:36:38 PDT)
- Aron Broom (Mon Apr 02 2012 - 06:47:23 PDT)
- Giovanni Pavan (Mon Apr 02 2012 - 03:34:00 PDT)
[AMBER] Exporting and Boxing Amber Trajectories by Frame
- Jason Swails (Mon Apr 02 2012 - 05:30:16 PDT)
- Adam Jion (Mon Apr 02 2012 - 04:38:48 PDT)
[AMBER] external force in the end of DNA strands
- mehdi bagherpoor (Fri Apr 20 2012 - 16:15:44 PDT)
[AMBER] ff12SB with Na+ ion
- Marc van der Kamp (Wed Apr 25 2012 - 04:10:38 PDT)
- Tong Zhu (Wed Apr 25 2012 - 03:56:33 PDT)
[AMBER] For atom: .R<Na+ 127>.A<Na+ 1> Could not find type: Na+
- George Tzotzos (Tue Apr 24 2012 - 12:39:07 PDT)
- InSuk Joung (Tue Apr 24 2012 - 12:03:18 PDT)
- George Tzotzos (Tue Apr 24 2012 - 10:59:01 PDT)
[AMBER] forcefield modifications
- David A Case (Mon Apr 16 2012 - 09:59:23 PDT)
- Knips, Alexander (Mon Apr 16 2012 - 09:23:25 PDT)
[AMBER] Further question on protonation state of histidine
- David A Case (Fri Apr 06 2012 - 06:28:59 PDT)
- Rajendra Sharma (Fri Apr 06 2012 - 06:12:00 PDT)
- Brian Radak (Fri Apr 06 2012 - 06:02:38 PDT)
- Acoot Brett (Fri Apr 06 2012 - 04:25:04 PDT)
[AMBER] Fwd: abertools12 installation failure
- Francesco Pietra (Sun Apr 15 2012 - 01:10:21 PDT)
[AMBER] Fwd: Creating a concatenated coordinate file for LES
- Sajeewa Pemasinghe (Sun Apr 29 2012 - 06:50:31 PDT)
[AMBER] Fwd: error in making prmtop & inpcrd for ligand-protein complex
- Jason Swails (Wed Apr 04 2012 - 21:17:01 PDT)
- Muhammad Aditya Setiajid (Wed Apr 04 2012 - 20:39:11 PDT)
[AMBER] Fwd: mbondi3
- Ray Luo, Ph.D. (Mon Apr 30 2012 - 10:34:30 PDT)
[AMBER] Fwd: no info contained in Residues to print section - MMPBSA.py
- Jason Swails (Wed Apr 11 2012 - 11:31:47 PDT)
- Alfredo Quevedo (Wed Apr 11 2012 - 07:03:01 PDT)
[AMBER] Fwd: Problem?
- krati sharma (Fri Apr 06 2012 - 02:58:43 PDT)
[AMBER] Fwd: Why RMSD goes fast to 5 angstrom?
- Shulin Zhuang (Tue Apr 17 2012 - 20:14:04 PDT)
[AMBER] GB and Dielectric constant
- kanika sharma (Mon Apr 09 2012 - 05:51:55 PDT)
- David A Case (Mon Apr 09 2012 - 05:41:24 PDT)
- Carlos Simmerling (Mon Apr 09 2012 - 05:04:42 PDT)
- kanika sharma (Mon Apr 09 2012 - 04:49:29 PDT)
[AMBER] GB/SA
- Jason Swails (Mon Apr 09 2012 - 21:25:56 PDT)
- Aron Broom (Mon Apr 09 2012 - 16:16:28 PDT)
- Carlos Simmerling (Mon Apr 09 2012 - 12:47:58 PDT)
- Aron Broom (Mon Apr 09 2012 - 10:27:04 PDT)
- Jason Swails (Mon Apr 09 2012 - 10:10:30 PDT)
- Aron Broom (Mon Apr 09 2012 - 09:15:55 PDT)
[AMBER] generating non-standard residue
- FyD (Sun Apr 01 2012 - 22:29:05 PDT)
- ashwini gupta (Sun Apr 01 2012 - 22:22:32 PDT)
[AMBER] getting metal ions coordinates of nmr structures of a protein
- Mahendra B Thapa (Mon Apr 30 2012 - 16:11:36 PDT)
[AMBER] GLYCAM 06h and 06EPb
- Lachele Foley (Lists) (Thu Apr 26 2012 - 11:38:39 PDT)
[AMBER] Good cluster configuration for running PMEMD.MPI?
- Matthew Zwier (Tue Apr 17 2012 - 06:00:08 PDT)
- Jason Swails (Mon Apr 16 2012 - 14:37:10 PDT)
- Juan Carlos Muñoz García (Mon Apr 16 2012 - 06:19:56 PDT)
[AMBER] GPU test fails
- Ross Walker (Tue Apr 03 2012 - 13:00:57 PDT)
- Mohammad Ashraf Bhuiyan (Tue Apr 03 2012 - 12:49:43 PDT)
[AMBER] GTP parameter set for RNA
- luca codutti (Fri Apr 27 2012 - 08:22:19 PDT)
- Jason Swails (Fri Apr 27 2012 - 08:12:20 PDT)
- luca codutti (Fri Apr 27 2012 - 07:28:22 PDT)
- luca codutti (Fri Apr 27 2012 - 01:00:57 PDT)
- Jacopo Sgrignani (Thu Apr 26 2012 - 12:28:47 PDT)
- luca codutti (Thu Apr 26 2012 - 11:28:31 PDT)
[AMBER] H-Bonding and Amber's Shake algorithm
- David A Case (Mon Apr 23 2012 - 05:24:35 PDT)
- Adam Jion (Mon Apr 23 2012 - 03:33:38 PDT)
[AMBER] how can apply external force to DNA residues?
- mehdi bagherpoor (Sun Apr 29 2012 - 01:51:16 PDT)
[AMBER] How can I exert external force in the end of DNA?
- ros (Thu Apr 19 2012 - 08:36:33 PDT)
- Bahareh honarparvar (Thu Apr 19 2012 - 08:30:51 PDT)
- mehdi bagherpoor (Thu Apr 19 2012 - 07:13:01 PDT)
[AMBER] How can I fix two ends of DNA?
- Jason Swails (Mon Apr 09 2012 - 21:40:52 PDT)
- mehdi bagherpoor (Mon Apr 09 2012 - 16:08:50 PDT)
- Jason Swails (Sun Apr 08 2012 - 20:08:09 PDT)
- case (Sun Apr 08 2012 - 11:25:02 PDT)
- mehdi bagherpoor (Sun Apr 08 2012 - 03:20:42 PDT)
[AMBER] how does frcmod work specifially. rdparm
- David A Case (Wed Apr 11 2012 - 07:12:57 PDT)
- Knips, Alexander (Wed Apr 11 2012 - 05:05:42 PDT)
[AMBER] how to add a electric field?
- Xianwei Wang (Thu Apr 05 2012 - 05:59:19 PDT)
[AMBER] How to determine the protonation state of phosphorylated residue in a protein?
- Jason Swails (Sun Apr 22 2012 - 15:31:10 PDT)
- Rajendra Sharma (Thu Apr 19 2012 - 17:08:00 PDT)
[AMBER] how to improve GPU running?
- Scott Le Grand (Wed Apr 18 2012 - 04:55:06 PDT)
- Ross Walker (Wed Apr 18 2012 - 04:28:33 PDT)
- Ross Walker (Wed Apr 18 2012 - 04:10:37 PDT)
- steinbrt.rci.rutgers.edu (Wed Apr 18 2012 - 04:10:10 PDT)
- Albert (Wed Apr 18 2012 - 03:52:39 PDT)
- steinbrt.rci.rutgers.edu (Wed Apr 18 2012 - 00:36:38 PDT)
- Albert (Tue Apr 17 2012 - 23:24:54 PDT)
[AMBER] How to overcome the limitation of file size when using ptraj?
- David A Case (Tue Apr 10 2012 - 04:55:22 PDT)
- Catein Catherine (Tue Apr 10 2012 - 00:29:16 PDT)
[AMBER] how to restrain the ligand in minimization and NVT equilibration step?
- Carlos Simmerling (Fri Apr 13 2012 - 10:21:34 PDT)
- Albert (Fri Apr 13 2012 - 10:17:39 PDT)
[AMBER] How to set VMD_PLUGIN_PATH ? (in order to analysis mdcrd by GROMACS directly)
- Jason Swails (Sun Apr 01 2012 - 08:46:03 PDT)
- Catein Catherine (Sat Mar 31 2012 - 21:11:32 PDT)
[AMBER] how to use Amber99SB-ILDN in Amber11?
- David A Case (Thu Apr 12 2012 - 12:26:35 PDT)
- Albert (Thu Apr 12 2012 - 11:28:57 PDT)
[AMBER] how where to read the amber and amber test failure diff files
- Acoot Brett (Mon Apr 02 2012 - 22:58:09 PDT)
[AMBER] Huge discrepancy in el part of "solvation energy" using Thermodynamic Integration
- Marek Maly (Mon Apr 23 2012 - 09:55:26 PDT)
[AMBER] IBM compiler for Amber12?
- Albert (Fri Apr 27 2012 - 10:02:13 PDT)
[AMBER] imin = 5, expected numerical error when re-calculating energy
- Brian Radak (Fri Apr 20 2012 - 09:03:41 PDT)
- Jason Swails (Fri Apr 20 2012 - 08:41:45 PDT)
- Brian Radak (Fri Apr 20 2012 - 07:46:13 PDT)
[AMBER] implicit MD and explicit MD
- Carlos Simmerling (Sat Apr 21 2012 - 12:14:34 PDT)
- Acoot Brett (Sat Apr 21 2012 - 08:26:32 PDT)
[AMBER] Inconsistent Internal energy from monomer to dimer
- Carlos Simmerling (Sat Apr 07 2012 - 04:06:27 PDT)
- Josep Maria Campanera Alsina (Sat Apr 07 2012 - 02:51:02 PDT)
- Carlos Simmerling (Thu Apr 05 2012 - 07:49:43 PDT)
- Josep Maria Campanera Alsina (Thu Apr 05 2012 - 04:11:13 PDT)
- Jason Swails (Wed Apr 04 2012 - 07:33:40 PDT)
- Carlos Simmerling (Wed Apr 04 2012 - 02:37:37 PDT)
- Josep Maria Campanera Alsina (Wed Apr 04 2012 - 00:40:56 PDT)
- Carlos Simmerling (Tue Apr 03 2012 - 04:25:32 PDT)
- Josep Maria Campanera Alsina (Tue Apr 03 2012 - 04:15:55 PDT)
[AMBER] input format for qms
- Genzo Tanaka (Mon Apr 30 2012 - 20:48:39 PDT)
- Genzo Tanaka (Mon Apr 30 2012 - 09:16:36 PDT)
[AMBER] installation of Amber 12 under Cygwin
- David A Case (Tue Apr 10 2012 - 04:55:48 PDT)
- Acoot Brett (Tue Apr 10 2012 - 04:40:11 PDT)
[AMBER] Installation problem for Ambertools 12 on Mac OS X Lion
- Jason Swails (Mon Apr 23 2012 - 05:57:26 PDT)
- David A Case (Mon Apr 23 2012 - 05:22:21 PDT)
- Jason Swails (Sun Apr 22 2012 - 16:21:13 PDT)
- Richard Lonsdale (Sun Apr 22 2012 - 13:51:42 PDT)
- David Case (Sun Apr 22 2012 - 12:47:35 PDT)
- Richard Lonsdale (Sun Apr 22 2012 - 11:10:21 PDT)
- Jason Swails (Sun Apr 22 2012 - 07:28:46 PDT)
- Richard Lonsdale (Sun Apr 22 2012 - 00:26:46 PDT)
[AMBER] installing Amber12 in parallel
- Marc van der Kamp (Mon Apr 16 2012 - 01:56:33 PDT)
- case (Fri Apr 13 2012 - 20:01:08 PDT)
- Marc van der Kamp (Fri Apr 13 2012 - 07:39:42 PDT)
[AMBER] ion parameters in simulations with nucleic acids
- Vlad Cojocaru (Tue Apr 10 2012 - 14:51:57 PDT)
- Thomas Cheatham III (Tue Apr 10 2012 - 11:44:57 PDT)
- Vlad Cojocaru (Thu Apr 05 2012 - 04:54:12 PDT)
[AMBER] is it possible strip off restrain linearly?
- Jason Swails (Fri Apr 13 2012 - 15:26:37 PDT)
- Albert (Fri Apr 13 2012 - 11:28:20 PDT)
[AMBER] is it possible to convert gromacs MD system into Amber?
- Jason Swails (Wed Apr 25 2012 - 09:09:03 PDT)
- Albert (Wed Apr 25 2012 - 06:13:50 PDT)
[AMBER] is lipid 11 FF compatible with GAFF?
- Albert (Thu Apr 26 2012 - 11:30:01 PDT)
- Benjamin D Madej (Thu Apr 26 2012 - 11:10:08 PDT)
- Albert (Thu Apr 26 2012 - 09:21:34 PDT)
[AMBER] is membrane protein simulation tutorial ready?
- Jason Swails (Sat Apr 21 2012 - 13:32:50 PDT)
- Albert (Sat Apr 21 2012 - 12:14:22 PDT)
[AMBER] is there a second methods to use CHARMM FF in amber?
- Albert (Mon Apr 30 2012 - 12:29:10 PDT)
- Marc van der Kamp (Mon Apr 30 2012 - 01:20:55 PDT)
- Albert (Sun Apr 29 2012 - 22:42:35 PDT)
[AMBER] is there any tutorial for membrane protein simulations for Amber 12?
- Aron Broom (Tue Apr 10 2012 - 09:47:40 PDT)
- Ross Walker (Tue Apr 10 2012 - 09:42:48 PDT)
- Albert (Tue Apr 10 2012 - 09:22:47 PDT)
- Aron Broom (Tue Apr 10 2012 - 09:22:33 PDT)
- Ross Walker (Tue Apr 10 2012 - 09:15:31 PDT)
- Albert (Tue Apr 10 2012 - 09:06:16 PDT)
- Benjamin D Madej (Tue Apr 10 2012 - 08:58:34 PDT)
- Albert (Tue Apr 10 2012 - 05:52:25 PDT)
[AMBER] Large Energy Jump in TMD simulation - Regarding
- Fredrick Devadoss (Tue Apr 17 2012 - 02:51:56 PDT)
- Carlos Simmerling (Thu Apr 12 2012 - 05:22:05 PDT)
- Fredrick Devadoss (Wed Apr 04 2012 - 05:34:52 PDT)
- Carlos Simmerling (Wed Apr 04 2012 - 07:47:21 PDT)
- Fredrick Devadoss (Wed Apr 04 2012 - 05:39:04 PDT)
- Carlos Simmerling (Wed Apr 04 2012 - 04:55:49 PDT)
- Fredrick Devadoss (Wed Apr 04 2012 - 03:09:18 PDT)
- Carlos Simmerling (Wed Apr 04 2012 - 03:00:36 PDT)
- Fredrick Devadoss (Wed Apr 04 2012 - 02:53:39 PDT)
- Carlos Simmerling (Tue Apr 03 2012 - 08:21:07 PDT)
[AMBER] Ligand and receptor separated when setting iwrap=1
- Liu Denis (Sun Apr 08 2012 - 23:55:32 PDT)
- Brian Radak (Sun Apr 08 2012 - 11:48:55 PDT)
- Liu Denis (Sun Apr 08 2012 - 07:39:10 PDT)
[AMBER] Lmode_in_Amber11
- David A Case (Thu Apr 26 2012 - 05:19:03 PDT)
- JAIME RUBIO MARTINEZ (Thu Apr 26 2012 - 01:09:15 PDT)
- JAIME RUBIO MARTINEZ (Thu Apr 26 2012 - 01:07:26 PDT)
- case (Wed Apr 25 2012 - 14:25:47 PDT)
- JAIME RUBIO MARTINEZ (Wed Apr 25 2012 - 11:08:18 PDT)
[AMBER] mbondi3
- Qin Cai (Mon Apr 30 2012 - 12:30:12 PDT)
- Niel Henriksen (Mon Apr 30 2012 - 09:21:57 PDT)
- Ray Luo, Ph.D. (Mon Apr 30 2012 - 09:02:53 PDT)
- Jesper Sørensen (Mon Apr 30 2012 - 00:11:51 PDT)
- Jason Swails (Sat Apr 28 2012 - 13:32:21 PDT)
- Mike NG (Sat Apr 28 2012 - 11:07:07 PDT)
[AMBER] metal site
- FyD (Tue Apr 03 2012 - 03:01:20 PDT)
- Jason Swails (Mon Apr 02 2012 - 20:51:34 PDT)
- Per Jr. Greisen (Mon Apr 02 2012 - 13:09:25 PDT)
[AMBER] MICA SURFACE
- José Guilherme Vilhena Albuquerque d'Orey (Mon Apr 16 2012 - 03:04:25 PDT)
[AMBER] MM-PBSA Question
- Hoshin Kim (Mon Apr 02 2012 - 02:08:47 PDT)
[AMBER] MM/PBSA calculations
- Ray Luo, Ph.D. (Fri Apr 20 2012 - 16:46:29 PDT)
- mish (Fri Apr 20 2012 - 05:06:28 PDT)
[AMBER] MMPBSA error
- Kumar, Sonu (Tue Apr 17 2012 - 07:17:14 PDT)
- Jason Swails (Tue Apr 17 2012 - 07:07:27 PDT)
- Jan-Philip Gehrcke (Tue Apr 17 2012 - 05:40:58 PDT)
- Jan-Philip Gehrcke (Tue Apr 17 2012 - 05:28:02 PDT)
- Kumar, Sonu (Tue Apr 17 2012 - 03:51:40 PDT)
- Jason Swails (Thu Apr 12 2012 - 05:56:23 PDT)
- Kumar, Sonu (Wed Apr 11 2012 - 14:24:47 PDT)
[AMBER] MMPBSA error in segmentation fault
- Bill Miller III (Sat Apr 14 2012 - 05:07:38 PDT)
- Aditya Setiajid (Fri Apr 13 2012 - 23:03:28 PDT)
- Bill Miller III (Fri Apr 13 2012 - 05:48:10 PDT)
- Aditya Setiajid (Fri Apr 13 2012 - 01:05:16 PDT)
[AMBER] MMPBSA.py.MPI calls sander instead of sander.MPI
- Jason Swails (Thu Apr 12 2012 - 06:23:01 PDT)
- Alfredo Quevedo (Thu Apr 12 2012 - 06:12:01 PDT)
[AMBER] MPI with options "-ip" and "-axSTPW"
- kurisaki (Mon Apr 30 2012 - 03:18:22 PDT)
- Ben Roberts (Mon Apr 30 2012 - 03:10:50 PDT)
- kurisaki (Mon Apr 30 2012 - 02:33:37 PDT)
[AMBER] multiple GPU compile failed for Amber12
- Albert (Sat Apr 28 2012 - 21:24:02 PDT)
- Jason Swails (Sat Apr 28 2012 - 13:24:42 PDT)
- Albert (Sat Apr 28 2012 - 11:13:44 PDT)
[AMBER] my ambertools 12 test
- M. L. Dodson (Sat Apr 14 2012 - 08:50:10 PDT)
- Acoot Brett (Sat Apr 14 2012 - 08:42:55 PDT)
[AMBER] Need help with MMPBSA.MPI
- Bill Miller III (Mon Apr 16 2012 - 13:49:38 PDT)
- Victor Ma (Mon Apr 16 2012 - 09:31:36 PDT)
- Bill Miller III (Mon Apr 16 2012 - 09:21:59 PDT)
- Victor Ma (Mon Apr 16 2012 - 09:12:31 PDT)
[AMBER] nmode list index out of range
- manikanthan bhavaraju (Wed Apr 11 2012 - 12:28:44 PDT)
- Jason Swails (Wed Apr 11 2012 - 12:00:23 PDT)
- manikanthan bhavaraju (Wed Apr 11 2012 - 06:34:46 PDT)
[AMBER] NUCGEN and FORCE Field disfunction
- Jason Swails (Thu Apr 19 2012 - 04:55:48 PDT)
- David A Case (Thu Apr 19 2012 - 04:55:10 PDT)
- VladanStefanovic.kg.ac.rs (Thu Apr 19 2012 - 03:00:16 PDT)
[AMBER] NVT error
- case (Fri Apr 13 2012 - 20:16:45 PDT)
- Albert (Fri Apr 13 2012 - 11:45:04 PDT)
[AMBER] Odd coordinate writing problem in pmemd.MPI
- steinbrt.rci.rutgers.edu (Thu Apr 05 2012 - 13:33:05 PDT)
- Ross Walker (Thu Apr 05 2012 - 09:42:55 PDT)
- Aron Broom (Thu Apr 05 2012 - 08:02:22 PDT)
- steinbrt.rci.rutgers.edu (Thu Apr 05 2012 - 07:58:48 PDT)
- Aron Broom (Thu Apr 05 2012 - 07:49:43 PDT)
- David A Case (Thu Apr 05 2012 - 07:33:37 PDT)
- David A Case (Thu Apr 05 2012 - 06:55:32 PDT)
- steinbrt.rci.rutgers.edu (Thu Apr 05 2012 - 05:49:40 PDT)
[AMBER] Odd coordinate writing problem in pmemd.MPI SOLVED
- steinbrt.rci.rutgers.edu (Wed Apr 11 2012 - 06:20:39 PDT)
[AMBER] Old version
- Alan (Fri Apr 20 2012 - 00:54:41 PDT)
- case (Thu Apr 19 2012 - 17:52:32 PDT)
- Thales Kronenberger (Thu Apr 19 2012 - 13:18:36 PDT)
[AMBER] on "-v" in mdrun
- Acoot Brett (Mon Apr 02 2012 - 23:14:36 PDT)
[AMBER] on my AMBER AND AMBERTOOLS installation test failures
- Acoot Brett (Mon Apr 02 2012 - 20:56:57 PDT)
[AMBER] on The Nudged Elastic Band Approach (Tutorial 5)
- Aron Broom (Fri Apr 20 2012 - 07:21:32 PDT)
- Carlos Simmerling (Fri Apr 20 2012 - 05:01:17 PDT)
- Acoot Brett (Wed Apr 18 2012 - 02:42:17 PDT)
[AMBER] on the protonation of the HIS, etc
- Marc van der Kamp (Thu Apr 05 2012 - 04:14:37 PDT)
- Acoot Brett (Thu Apr 05 2012 - 04:08:46 PDT)
[AMBER] P2N file error from RED
- FyD (Fri Apr 20 2012 - 02:10:02 PDT)
- Urszula Uciechowska (Fri Apr 20 2012 - 01:22:51 PDT)
- Per Jr. Greisen (Fri Apr 20 2012 - 01:04:37 PDT)
- Urszula Uciechowska (Fri Apr 20 2012 - 00:57:43 PDT)
- FyD (Tue Apr 17 2012 - 06:37:27 PDT)
- Urszula Uciechowska (Tue Apr 17 2012 - 05:59:11 PDT)
[AMBER] parallelization of paramfit in ambertools12
- Robin Betz (Tue Apr 17 2012 - 11:28:18 PDT)
- Sidney Elmer (Tue Apr 17 2012 - 00:38:06 PDT)
- Robin Betz (Mon Apr 16 2012 - 23:00:51 PDT)
- Francesco Pietra (Mon Apr 16 2012 - 22:28:02 PDT)
- Robin Betz (Mon Apr 16 2012 - 15:13:05 PDT)
- Francesco Pietra (Mon Apr 16 2012 - 00:47:16 PDT)
[AMBER] parameters for Lys-sugar
- Jan-Philip Gehrcke (Wed Apr 25 2012 - 04:48:51 PDT)
- Lachele Foley (Lists) (Mon Apr 23 2012 - 13:05:31 PDT)
- FyD (Mon Apr 23 2012 - 09:26:41 PDT)
- Urszula Uciechowska (Mon Apr 23 2012 - 03:38:24 PDT)
[AMBER] parameters for Lys-sugar leap errors
- FyD (Thu Apr 26 2012 - 08:36:39 PDT)
- Lachele Foley (Lists) (Thu Apr 26 2012 - 07:19:29 PDT)
- Lachele Foley (Lists) (Thu Apr 26 2012 - 07:17:48 PDT)
- Urszula Uciechowska (Thu Apr 26 2012 - 02:41:01 PDT)
[AMBER] parameters for Lys-sugar P2N file
- FyD (Thu Apr 12 2012 - 05:13:55 PDT)
- Urszula Uciechowska (Thu Apr 12 2012 - 01:48:53 PDT)
- Urszula Uciechowska (Wed Apr 11 2012 - 09:33:52 PDT)
[AMBER] Particles moving outside of simulation box for pmemd.cuda.mpi
- David A Case (Wed Apr 04 2012 - 06:11:50 PDT)
- Adam Jion (Wed Apr 04 2012 - 00:13:01 PDT)
- Ross Walker (Tue Apr 03 2012 - 16:14:19 PDT)
[AMBER] Partitioning issue of sander
- Jason Swails (Tue Apr 17 2012 - 08:53:03 PDT)
- David A Case (Tue Apr 17 2012 - 06:20:05 PDT)
- 板垣哲彦 (Tue Apr 17 2012 - 05:30:59 PDT)
- David A Case (Mon Apr 16 2012 - 06:10:08 PDT)
- Jason Swails (Sun Apr 15 2012 - 20:56:54 PDT)
- 板垣哲彦 (Sun Apr 15 2012 - 19:00:14 PDT)
[AMBER] PBC
- Fernando Martín García (Tue Apr 10 2012 - 05:07:05 PDT)
- David A Case (Tue Apr 10 2012 - 04:58:51 PDT)
- Fernando Martín García (Tue Apr 10 2012 - 03:40:51 PDT)
[AMBER] pcacovar in ptraj
- Bala Subramani (Fri Apr 13 2012 - 04:15:08 PDT)
[AMBER] PDB file conversion server to meet the atom type requirement
- case (Sat Apr 07 2012 - 13:58:56 PDT)
- M. L. Dodson (Sat Apr 07 2012 - 05:21:25 PDT)
- Acoot Brett (Sat Apr 07 2012 - 02:15:45 PDT)
[AMBER] preparation of silver metal parameter file
- FyD (Sun Apr 29 2012 - 00:21:13 PDT)
- Jason Swails (Sat Apr 28 2012 - 09:50:45 PDT)
- Navin Jain (Sat Apr 28 2012 - 06:05:40 PDT)
[AMBER] problem converting AmbertoDesmond
- Bill Ross (Tue Apr 17 2012 - 16:54:03 PDT)
- David A Case (Tue Apr 17 2012 - 04:43:18 PDT)
- Albert (Mon Apr 16 2012 - 23:03:43 PDT)
- Albert (Mon Apr 16 2012 - 14:15:15 PDT)
- David A Case (Mon Apr 16 2012 - 12:30:49 PDT)
- Albert (Mon Apr 16 2012 - 11:54:11 PDT)
[AMBER] Problem in Amber installation
- setyanto md (Mon Apr 02 2012 - 01:11:55 PDT)
[AMBER] problem in tleap with head and tail atom assignment
- Cramariuc Oana (Thu Apr 19 2012 - 04:44:14 PDT)
- FyD (Thu Apr 19 2012 - 03:14:32 PDT)
- Jason Swails (Wed Apr 18 2012 - 14:27:53 PDT)
- Cramariuc Oana (Wed Apr 18 2012 - 13:10:34 PDT)
[AMBER] problem installing AmberTools 12 on Mac OS X Lion
- Sidney Elmer (Wed Apr 18 2012 - 11:11:14 PDT)
- Sidney Elmer (Wed Apr 18 2012 - 01:11:01 PDT)
[AMBER] problem with "make test.parallel" for AMBER12
- Marc van der Kamp (Tue Apr 17 2012 - 01:34:10 PDT)
- Jason Swails (Mon Apr 16 2012 - 12:05:15 PDT)
- Marc van der Kamp (Mon Apr 16 2012 - 07:15:21 PDT)
[AMBER] Problem with gaussian input file generation
- moitrayee.mbu.iisc.ernet.in (Sat Apr 14 2012 - 13:27:17 PDT)
[AMBER] Problem with MCPB
- moitrayee.mbu.iisc.ernet.in (Sun Apr 15 2012 - 09:11:48 PDT)
- Ben Roberts (Sun Apr 15 2012 - 03:46:53 PDT)
- Ben Roberts (Sun Apr 15 2012 - 03:10:16 PDT)
- moitrayee.mbu.iisc.ernet.in (Fri Apr 13 2012 - 15:33:37 PDT)
[AMBER] Problem with mdnab: ERROR in RATTLE
- Andrey (Mon Apr 23 2012 - 01:25:56 PDT)
- David A Case (Wed Apr 18 2012 - 04:46:12 PDT)
- case (Tue Apr 17 2012 - 16:35:47 PDT)
- Andrey (Tue Apr 17 2012 - 07:20:42 PDT)
- case (Sat Apr 14 2012 - 11:04:34 PDT)
- Andrey (Fri Apr 13 2012 - 12:57:19 PDT)
[AMBER] Problem with molegro file
- FyD (Sun Apr 29 2012 - 00:16:39 PDT)
- case (Sat Apr 28 2012 - 06:56:19 PDT)
- Chris Chris (Fri Apr 27 2012 - 09:52:31 PDT)
[AMBER] problems installing pmedm.cuda
- Peter Fojan (Thu Apr 26 2012 - 07:19:37 PDT)
- Jason Swails (Thu Apr 26 2012 - 06:52:02 PDT)
- Jason Swails (Thu Apr 26 2012 - 05:58:12 PDT)
- Peter Fojan (Thu Apr 26 2012 - 00:39:35 PDT)
[AMBER] Problems with atom type in sidechain.bcl
- ashwini gupta (Sat Apr 28 2012 - 22:15:20 PDT)
- Fabrício Bracht (Sat Apr 28 2012 - 08:03:21 PDT)
- Yang, Yue (Mon Apr 23 2012 - 16:31:32 PDT)
- Fabrício Bracht (Mon Apr 23 2012 - 08:21:42 PDT)
[AMBER] Protein nanoparticle interaction
- Ben Roberts (Tue Apr 24 2012 - 19:42:58 PDT)
- Navin Jain (Tue Apr 24 2012 - 02:56:55 PDT)
[AMBER] ptraj removes my ligands
- denilson.dqi.ufla.br (Mon Apr 02 2012 - 06:55:33 PDT)
[AMBER] QM/MM and water box type
- Qiantao Wang (Fri Apr 20 2012 - 10:59:33 PDT)
- Fernando Martín García (Fri Apr 20 2012 - 01:07:26 PDT)
[AMBER] QM/MM ATP-Mg2+ system
- filip fratev (Tue Apr 24 2012 - 13:48:07 PDT)
- Yang, Yue (Mon Apr 23 2012 - 16:26:06 PDT)
- Brian Radak (Mon Apr 23 2012 - 09:03:39 PDT)
- filip fratev (Sun Apr 22 2012 - 15:55:07 PDT)
[AMBER] QM/MM simulation
- Brian Radak (Wed Apr 25 2012 - 06:11:33 PDT)
- ashwini gupta (Wed Apr 25 2012 - 05:19:36 PDT)
[AMBER] Query regarding Amber 11
- Somnath Nandy (Thu Apr 12 2012 - 05:39:42 PDT)
[AMBER] Query regarding Amber Installation
- Jason Swails (Sat Apr 14 2012 - 09:05:12 PDT)
- Somnath Nandy (Fri Apr 13 2012 - 04:09:40 PDT)
- David A Case (Thu Apr 12 2012 - 07:52:31 PDT)
- Somnath Nandy (Thu Apr 12 2012 - 06:02:53 PDT)
[AMBER] query regarding gaussian and antechamber
- Jason Swails (Mon Apr 09 2012 - 09:50:02 PDT)
- jun kit (Mon Apr 09 2012 - 08:57:32 PDT)
[AMBER] question on protonation state of histidine
- case (Sat Apr 07 2012 - 13:42:18 PDT)
- Jason Swails (Fri Apr 06 2012 - 23:49:41 PDT)
- Acoot Brett (Fri Apr 06 2012 - 19:33:52 PDT)
- Dean Cuebas (Fri Apr 06 2012 - 19:16:07 PDT)
- Acoot Brett (Fri Apr 06 2012 - 15:48:27 PDT)
[AMBER] R: Error: unspecified launch failure launching kernel kReduceForces
- Ross Walker (Wed Apr 11 2012 - 09:23:06 PDT)
- Giovanni Pavan (Wed Apr 11 2012 - 08:39:22 PDT)
- Giovanni Pavan (Mon Apr 02 2012 - 08:13:42 PDT)
[AMBER] Radii in prmtop
- Daniel Roe (Mon Apr 30 2012 - 07:52:38 PDT)
- Jesper Sørensen (Sun Apr 29 2012 - 23:42:00 PDT)
- Ray Luo (Sun Apr 29 2012 - 14:52:10 PDT)
- case (Sun Apr 29 2012 - 14:48:48 PDT)
- Jesper Sørensen (Sun Apr 29 2012 - 11:19:41 PDT)
- case (Sat Apr 28 2012 - 19:25:42 PDT)
- Jesper Sørensen (Sat Apr 28 2012 - 14:38:30 PDT)
- case (Thu Apr 26 2012 - 18:46:26 PDT)
- Jason Swails (Thu Apr 26 2012 - 13:24:16 PDT)
- Jesper Sørensen (Thu Apr 26 2012 - 12:56:51 PDT)
- Jason Swails (Thu Apr 26 2012 - 12:18:33 PDT)
- Jesper Sørensen (Thu Apr 26 2012 - 11:06:18 PDT)
- Carlos Simmerling (Thu Apr 26 2012 - 09:55:21 PDT)
- Jesper Sørensen (Thu Apr 26 2012 - 09:51:48 PDT)
[AMBER] RAMD simulations
- Jacopo Sgrignani (Mon Apr 30 2012 - 07:28:21 PDT)
- Vlad Cojocaru (Mon Apr 30 2012 - 07:23:30 PDT)
- Agostino Bruno (Mon Apr 30 2012 - 06:54:18 PDT)
[AMBER] RE GPU test fails
- Ross Walker (Tue Apr 03 2012 - 11:35:57 PDT)
- Mohammad Ashraf Bhuiyan (Tue Apr 03 2012 - 10:39:57 PDT)
[AMBER] reduce and trim function
- Jason Swails (Fri Apr 13 2012 - 15:25:01 PDT)
- Mahendra B Thapa (Fri Apr 13 2012 - 09:17:32 PDT)
[AMBER] reply： Amber12 compile with "intel" err.
- javacfish (Sat Apr 14 2012 - 12:57:36 PDT)
[AMBER] Residue mismatch - Amber11
- Jason Swails (Tue Apr 10 2012 - 20:14:03 PDT)
- sławek bojarowski (Tue Apr 10 2012 - 14:47:18 PDT)
[AMBER] restrain syntax
- Jason Swails (Sat Apr 14 2012 - 08:56:50 PDT)
- Albert (Fri Apr 13 2012 - 21:42:41 PDT)
[AMBER] rfree: Error decoding variable 1 3 from:
- Elisa Frezza (Thu Apr 12 2012 - 08:54:32 PDT)
- Niel Henriksen (Thu Apr 12 2012 - 08:42:51 PDT)
- Elisa Frezza (Thu Apr 12 2012 - 08:38:29 PDT)
- David A Case (Thu Apr 12 2012 - 08:25:11 PDT)
- Elisa Frezza (Thu Apr 12 2012 - 08:05:16 PDT)
- David A Case (Thu Apr 12 2012 - 07:48:39 PDT)
- Jason Swails (Thu Apr 12 2012 - 05:53:35 PDT)
- David A Case (Thu Apr 12 2012 - 05:45:33 PDT)
- Niel Henriksen (Wed Apr 11 2012 - 08:08:21 PDT)
- Elisa Frezza (Wed Apr 11 2012 - 07:58:14 PDT)
- Niel Henriksen (Wed Apr 11 2012 - 07:46:36 PDT)
- Elisa Frezza (Wed Apr 11 2012 - 07:33:30 PDT)
- Elisa Frezza (Wed Apr 11 2012 - 07:30:42 PDT)
- David A Case (Wed Apr 11 2012 - 07:16:18 PDT)
- Niel Henriksen (Wed Apr 11 2012 - 06:53:03 PDT)
- Elisa Frezza (Wed Apr 11 2012 - 05:34:50 PDT)
- David A Case (Wed Apr 11 2012 - 05:06:04 PDT)
- Elisa Frezza (Wed Apr 11 2012 - 01:03:45 PDT)
- Niel Henriksen (Thu Apr 05 2012 - 07:49:49 PDT)
- Elisa Frezza (Thu Apr 05 2012 - 02:06:44 PDT)
- Niel Henriksen (Sun Apr 01 2012 - 14:12:59 PDT)
- Jason Swails (Sun Apr 01 2012 - 14:04:32 PDT)
- Niel Henriksen (Sun Apr 01 2012 - 14:03:35 PDT)
- Elisa Frezza (Sun Apr 01 2012 - 13:28:24 PDT)
- Elisa Frezza (Sun Apr 01 2012 - 12:19:55 PDT)
- Jason Swails (Sun Apr 01 2012 - 11:36:58 PDT)
- Elisa Frezza (Sun Apr 01 2012 - 11:18:20 PDT)
- Jason Swails (Sun Apr 01 2012 - 11:11:43 PDT)
- Elisa Frezza (Sun Apr 01 2012 - 09:53:03 PDT)
[AMBER] RMSD analysis for cyclo-tetra-peptide
- Carlos Simmerling (Mon Apr 23 2012 - 04:44:56 PDT)
- mcj452500 (Mon Apr 23 2012 - 04:08:42 PDT)
[AMBER] running the on-line tutorial B1 (DNA) by Amber 12
- David A Case (Fri Apr 20 2012 - 05:36:06 PDT)
- Acoot Brett (Fri Apr 20 2012 - 04:21:52 PDT)
[AMBER] sander and pmemd
- Ross Walker (Thu Apr 26 2012 - 06:53:33 PDT)
- xiaojiong (Thu Apr 26 2012 - 04:56:18 PDT)
[AMBER] sander error during GB calculations
- Qiong Zhang (Mon Apr 16 2012 - 19:15:40 PDT)
- Qiong Zhang (Mon Apr 16 2012 - 19:09:28 PDT)
[AMBER] sander minimization *.i file for protein complex
- Acoot Brett (Sun Apr 08 2012 - 19:10:33 PDT)
[AMBER] sander minimization mini.in file for protein complex
- Anselm Horn (Mon Apr 09 2012 - 05:42:27 PDT)
- David A Case (Mon Apr 09 2012 - 05:37:21 PDT)
- Acoot Brett (Sun Apr 08 2012 - 19:40:23 PDT)
[AMBER] saveamberparm in xleap does not recognize atom type F
- David A Case (Tue Apr 17 2012 - 05:04:15 PDT)
- Genzo Tanaka (Mon Apr 16 2012 - 09:13:13 PDT)
- case (Fri Apr 13 2012 - 20:22:43 PDT)
- Genzo Tanaka (Fri Apr 13 2012 - 16:01:36 PDT)
[AMBER] SCEE and SCNB GLYCAM_06 values with amber11 top crd files
- Lachele Foley (Lists) (Wed Apr 18 2012 - 12:23:03 PDT)
- David A Case (Wed Apr 18 2012 - 12:10:00 PDT)
- Kepa K. Burusco (Wed Apr 18 2012 - 10:55:09 PDT)
[AMBER] Setting the cut-off and size of box
- case (Tue Apr 03 2012 - 19:53:48 PDT)
- Pengzhi (Mon Apr 02 2012 - 19:59:58 PDT)
- case (Mon Apr 02 2012 - 18:19:27 PDT)
- Pengzhi (Mon Apr 02 2012 - 16:29:00 PDT)
[AMBER] SOM clustering
- Anselm Horn (Wed Apr 11 2012 - 00:51:24 PDT)
[AMBER] Some problem with building Non-standard residue
- Nicholus Bhattacharjee (Thu Apr 19 2012 - 23:14:30 PDT)
[AMBER] strange output information
- Albert (Sat Apr 14 2012 - 04:40:36 PDT)
- Carlos Simmerling (Sat Apr 14 2012 - 04:25:17 PDT)
- Albert (Fri Apr 13 2012 - 23:18:13 PDT)
[AMBER] test failure in the AMBERTOOL installation
- Ben Roberts (Sun Apr 01 2012 - 14:01:17 PDT)
[AMBER] testing amber12 fails
- case (Sun Apr 29 2012 - 05:19:58 PDT)
- Vijay Manickam Achari (Sun Apr 29 2012 - 01:17:47 PDT)
[AMBER] the command to make the sander running visible
- Adrian Roitberg (Sun Apr 08 2012 - 15:43:26 PDT)
- Acoot Brett (Sun Apr 08 2012 - 15:29:00 PDT)
- Adrian Roitberg (Sun Apr 08 2012 - 07:37:06 PDT)
- Aron Broom (Sun Apr 08 2012 - 07:28:02 PDT)
- Fredrick Devadoss (Sun Apr 08 2012 - 07:27:27 PDT)
- Acoot Brett (Sun Apr 08 2012 - 06:10:02 PDT)
- Acoot Brett (Sun Apr 08 2012 - 05:13:45 PDT)
[AMBER] The error of installing mpi4py in ambertools12 for MMPBSA parallel
- Jason Swails (Fri Apr 20 2012 - 08:47:57 PDT)
- JiYuan Liu (Fri Apr 20 2012 - 21:13:02 PDT)
[AMBER] the problem of charge
- FyD (Sun Apr 29 2012 - 03:52:45 PDT)
- FyD (Sun Apr 29 2012 - 00:40:51 PDT)
- Ben Roberts (Sat Apr 28 2012 - 22:52:23 PDT)
- xiaojiong (Sat Apr 28 2012 - 18:03:08 PDT)
[AMBER] the real binding free energy
- David A Case (Thu Apr 26 2012 - 05:26:16 PDT)
- bmartini (Wed Apr 25 2012 - 19:34:21 PDT)
[AMBER] Trouble installing AmberTools 1.5 on mac
- Jason Swails (Tue Apr 24 2012 - 14:29:38 PDT)
- Andrew Ritchie (Tue Apr 24 2012 - 11:05:33 PDT)
[AMBER] Units of the output file.
- David A Case (Tue Apr 10 2012 - 10:22:35 PDT)
- steinbrt.rci.rutgers.edu (Tue Apr 10 2012 - 06:06:32 PDT)
- Arthur Roberts (Tue Apr 10 2012 - 05:54:54 PDT)
[AMBER] Use effective core potential in amber QM/MM calculation with Gaussian
- Tong Zhu (Wed Apr 18 2012 - 02:46:43 PDT)
[AMBER] Use of PCASuite in analyzing DNA-MD trajectories
- francesco oteri (Mon Apr 02 2012 - 23:50:41 PDT)
- Muhammad Khaled Tumbi (Mon Apr 02 2012 - 11:53:17 PDT)
[AMBER] using AMBER forcefield by GROMACS
- Jason Swails (Sat Apr 21 2012 - 07:21:01 PDT)
- Acoot Brett (Sat Apr 21 2012 - 04:36:48 PDT)
- Francesco Oteri (Sat Apr 21 2012 - 04:31:03 PDT)
- Acoot Brett (Sat Apr 21 2012 - 04:24:07 PDT)
[AMBER] Using Antechamber to generate RESP prepi file
- Lianhu Wei (Thu Apr 19 2012 - 08:33:46 PDT)
- FyD (Thu Apr 19 2012 - 03:02:18 PDT)
- Lianhu Wei (Wed Apr 18 2012 - 12:27:42 PDT)
- FyD (Wed Apr 18 2012 - 09:47:55 PDT)
- Lianhu Wei (Wed Apr 18 2012 - 06:34:30 PDT)
- FyD (Wed Apr 18 2012 - 00:43:09 PDT)
- Lianhu Wei (Tue Apr 17 2012 - 14:12:29 PDT)
[AMBER] using both the ILDN and NMR-based modifications of ff99SB
- Jason Swails (Thu Apr 05 2012 - 14:18:12 PDT)
- Carlos Simmerling (Thu Apr 05 2012 - 08:07:21 PDT)
- Vlad Cojocaru (Thu Apr 05 2012 - 06:58:42 PDT)
- David A Case (Thu Apr 05 2012 - 06:53:18 PDT)
- Vlad Cojocaru (Thu Apr 05 2012 - 05:42:38 PDT)
[AMBER] using two GPUs
- Vijay Manickam Achari (Wed Apr 25 2012 - 17:57:04 PDT)
- Jason Swails (Wed Apr 25 2012 - 11:44:31 PDT)
- Vijay Manickam Achari (Wed Apr 25 2012 - 11:41:59 PDT)
- Jason Swails (Wed Apr 25 2012 - 09:05:13 PDT)
- Vijay Manickam Achari (Tue Apr 24 2012 - 22:34:52 PDT)
- Robert Crovella (Tue Apr 24 2012 - 07:39:49 PDT)
- Vijay Manickam Achari (Mon Apr 23 2012 - 22:16:49 PDT)
- Jason Swails (Sat Apr 21 2012 - 07:18:02 PDT)
- Robert Crovella (Sat Apr 21 2012 - 05:50:31 PDT)
- Vijay Manickam Achari (Fri Apr 20 2012 - 20:14:51 PDT)
- David Jones (Fri Apr 20 2012 - 19:23:30 PDT)
- Robert Crovella (Fri Apr 20 2012 - 19:07:32 PDT)
- Vijay Manickam Achari (Fri Apr 20 2012 - 17:39:33 PDT)
[AMBER] water cap simulation
- anyiphysics.gmail.com (Mon Apr 30 2012 - 12:48:49 PDT)
- case (Sat Apr 28 2012 - 07:00:20 PDT)
- Yi An (Fri Apr 27 2012 - 14:08:03 PDT)
[AMBER] What is major difference between Amber11 and Amber12
- Ross Walker (Fri Apr 06 2012 - 09:58:45 PDT)
- David A Case (Fri Apr 06 2012 - 09:14:38 PDT)
- K. Uebayashi (Fri Apr 06 2012 - 07:06:48 PDT)
[AMBER] what's the amber efficiency?
- Scott Le Grand (Sat Apr 14 2012 - 09:03:49 PDT)
- case (Sat Apr 14 2012 - 06:37:05 PDT)
- Albert (Sat Apr 14 2012 - 04:45:57 PDT)
[AMBER] when will the membrane protein simulation tutorial be available?
- Benjamin D Madej (Mon Apr 16 2012 - 20:05:02 PDT)
- Albert (Mon Apr 16 2012 - 06:05:39 PDT)
[AMBER] Where can I find silhouette.pl?
- Irene Newhouse (Sun Apr 22 2012 - 01:54:05 PDT)
[AMBER] which methods calculate the binding energy most accurate
- Aron Broom (Wed Apr 11 2012 - 21:49:09 PDT)
- Acoot Brett (Wed Apr 11 2012 - 18:21:14 PDT)
[AMBER] why no periodic information?
- Albert (Wed Apr 18 2012 - 13:01:58 PDT)
- Albert (Wed Apr 18 2012 - 12:48:29 PDT)
- Aron Broom (Wed Apr 18 2012 - 12:47:44 PDT)
- Brian Radak (Wed Apr 18 2012 - 12:35:01 PDT)
- Albert (Wed Apr 18 2012 - 12:39:04 PDT)
- Aron Broom (Wed Apr 18 2012 - 12:36:06 PDT)
- Albert (Wed Apr 18 2012 - 12:29:20 PDT)
- Albert (Wed Apr 18 2012 - 12:29:01 PDT)
- Aron Broom (Wed Apr 18 2012 - 12:21:16 PDT)
- Albert (Wed Apr 18 2012 - 12:16:04 PDT)
[AMBER] Why RMSD goes fast to 5 angstrom?
- Shulin Zhuang (Wed Apr 18 2012 - 05:42:03 PDT)
- Jason Swails (Wed Apr 18 2012 - 05:16:10 PDT)
- steinbrt.rci.rutgers.edu (Wed Apr 18 2012 - 00:21:30 PDT)
- Jason Swails (Tue Apr 17 2012 - 20:23:25 PDT)
- Aron Broom (Tue Apr 17 2012 - 19:40:58 PDT)
- Shulin Zhuang (Tue Apr 17 2012 - 19:26:20 PDT)
[AMBER] xleap pdb file loading problem.
- Jason Swails (Sat Apr 21 2012 - 07:29:56 PDT)
- DoYong Kim (Fri Apr 20 2012 - 12:49:59 PDT)
- David A Case (Thu Apr 19 2012 - 11:47:55 PDT)
- DoYong Kim (Thu Apr 19 2012 - 08:53:10 PDT)
[AMBER] ★what's new?◆amber◆
- ZhaoLei (Thu Apr 19 2012 - 12:12:48 PDT)
[AMBER] 回复： abertools12 installation failure
- javacfish (Mon Apr 16 2012 - 00:28:08 PDT)
[AMBER] 回复： Amber12 compile with "intel" err.
- javacfish (Sat Apr 14 2012 - 12:55:21 PDT)
MMPBSA error in segmentation fault
- Jason Swails (Sun Apr 15 2012 - 07:49:26 PDT)
- Aditya Setiajid (Sun Apr 15 2012 - 06:56:39 PDT)
parameters for Lys-sugar P2N file
- FyD (Thu Apr 12 2012 - 07:44:15 PDT)
reduce and trim function
- Mahendra B Thapa (Mon Apr 30 2012 - 15:17:58 PDT)
- case (Sun Apr 15 2012 - 19:25:57 PDT)
- Mahendra B Thapa (Sun Apr 15 2012 - 14:49:49 PDT)
running the on-line tutorial B1 (DNA) by Amber 12
- Acoot Brett (Fri Apr 20 2012 - 05:16:25 PDT)

Amber Archive Apr 2012 by subject