Amber Archive Mar 2013: by subject

[AMBER] '.' follows exponent in NUMBER-like thing
- David A Case (Mon Mar 25 2013 - 04:48:49 PDT)
- Yun Shi (Sun Mar 24 2013 - 12:15:15 PDT)
[AMBER] [AMBER: gauche effect in OS-CT-CT-F
- Steven M. Graham (Sat Mar 09 2013 - 13:42:14 PST)
[AMBER] Amber 11 and Amber 12
- Jason Swails (Fri Mar 15 2013 - 10:11:12 PDT)
- Daniel Roe (Fri Mar 15 2013 - 08:42:30 PDT)
- David Winogradoff (Wed Mar 13 2013 - 16:30:36 PDT)
- Daniel Roe (Wed Mar 13 2013 - 11:57:57 PDT)
- David Winogradoff (Wed Mar 13 2013 - 10:25:40 PDT)
- Jason Swails (Mon Mar 11 2013 - 15:56:58 PDT)
- David Winogradoff (Mon Mar 11 2013 - 15:34:31 PDT)
[AMBER] Amber 2013 workshop
- psu4.uic.edu (Fri Mar 08 2013 - 09:30:28 PST)
- Ross Walker (Wed Mar 06 2013 - 10:31:28 PST)
- psu4.uic.edu (Wed Mar 06 2013 - 09:31:50 PST)
[AMBER] Amber 9
- Jason Swails (Sat Mar 16 2013 - 07:25:04 PDT)
- pooja chahal (Fri Mar 15 2013 - 20:54:22 PDT)
[AMBER] AMBER Digest, Vol 457, Issue 1
- Amy Davenport (Wed Mar 20 2013 - 12:48:36 PDT)
[AMBER] Amber Digest, Vol. 458, Issue 1, Topic 1 pmemd.cuda compilation problems on Ubuntu 12.4 (Daniel Roe)
- Weinzierl, Robert O J (Mon Mar 25 2013 - 04:01:10 PDT)
[AMBER] Amber MD using NAMD
- Massimiliano Porrini (Fri Mar 01 2013 - 01:58:01 PST)
[AMBER] Amber release time table
- David A Case (Sun Mar 24 2013 - 13:10:17 PDT)
- Jonathan Gough (Sun Mar 24 2013 - 12:11:01 PDT)
[AMBER] amber12 configure error
- Jason Swails (Fri Mar 01 2013 - 06:15:58 PST)
- Asmita Gupta (Fri Mar 01 2013 - 00:09:27 PST)
[AMBER] Amber12 MPI OK on one node but not across nodes
- David A Case (Tue Mar 12 2013 - 17:29:26 PDT)
- Ross Walker (Tue Mar 12 2013 - 09:50:58 PDT)
- Jan Fredin (Tue Mar 12 2013 - 09:38:46 PDT)
[AMBER] amber12 remd problem and solution recompiling sander.MPI with AMBERBUILDFLAGS -DVERBOSE_REM
- Guillermo Mulliert Carlín (Fri Mar 22 2013 - 00:21:01 PDT)
[AMBER] aMD job failed
- Albert (Wed Mar 27 2013 - 08:37:21 PDT)
- Jason Swails (Wed Mar 27 2013 - 07:32:56 PDT)
- Albert (Wed Mar 27 2013 - 00:21:05 PDT)
[AMBER] aMD simulations in AMBER 12 (GPU version)
- Daniel Roe (Thu Mar 21 2013 - 09:42:27 PDT)
- Neha Gandhi (Thu Mar 21 2013 - 03:26:44 PDT)
[AMBER] aMD simulations in AMBER 12 (GPU version) update
- Jason Swails (Thu Mar 21 2013 - 17:55:56 PDT)
- Neha Gandhi (Thu Mar 21 2013 - 17:20:26 PDT)
[AMBER] angle between two plan
- Bill Ross (Sat Mar 16 2013 - 11:14:49 PDT)
- M. L. Dodson (Sat Mar 16 2013 - 06:37:57 PDT)
- Vlad Cojocaru (Sat Mar 16 2013 - 05:59:11 PDT)
- Jason Swails (Sat Mar 16 2013 - 05:34:19 PDT)
- . mirage (Sat Mar 16 2013 - 04:04:11 PDT)
- M. L. Dodson (Fri Mar 15 2013 - 17:42:47 PDT)
- steinbrt.rci.rutgers.edu (Fri Mar 15 2013 - 17:17:52 PDT)
- M. L. Dodson (Thu Mar 14 2013 - 11:26:21 PDT)
- Jason Swails (Thu Mar 14 2013 - 11:03:17 PDT)
- . mirage (Thu Mar 14 2013 - 10:34:34 PDT)
- . mirage (Thu Mar 14 2013 - 02:10:50 PDT)
[AMBER] Annomalous "TER" is inserted in a peptide including non-standard AA
- kurisaki (Tue Mar 05 2013 - 16:37:19 PST)
- David A Case (Tue Mar 05 2013 - 07:55:58 PST)
- Jason Swails (Tue Mar 05 2013 - 05:38:10 PST)
- kurisaki (Tue Mar 05 2013 - 05:24:40 PST)
- Vishal Maingi (Tue Mar 05 2013 - 05:10:21 PST)
- Vishal Maingi (Tue Mar 05 2013 - 04:54:21 PST)
- David A Case (Tue Mar 05 2013 - 04:36:05 PST)
- kurisaki (Tue Mar 05 2013 - 01:38:00 PST)
[AMBER] Ante-mmpbsa.py error
- Jason Swails (Tue Mar 19 2013 - 13:01:14 PDT)
- Vivek Shankar Bharadwaj (Tue Mar 19 2013 - 10:22:57 PDT)
[AMBER] antechamber dCTP
- FyD (Fri Mar 08 2013 - 23:09:19 PST)
- YZ Qin (Fri Mar 08 2013 - 08:01:32 PST)
- FyD (Thu Mar 07 2013 - 12:45:38 PST)
- YZ Qin (Thu Mar 07 2013 - 06:35:02 PST)
- FyD (Thu Mar 07 2013 - 02:55:59 PST)
- YZ Qin (Thu Mar 07 2013 - 01:17:47 PST)
- YZ Qin (Thu Mar 07 2013 - 01:13:16 PST)
- FyD (Wed Mar 06 2013 - 22:30:52 PST)
- YZ Qin (Wed Mar 06 2013 - 17:56:44 PST)
[AMBER] Antechamber: AM1-BCC charges from MOPAC output
- David A Case (Tue Mar 19 2013 - 05:01:59 PDT)
- Miro Moman (Tue Mar 19 2013 - 02:05:03 PDT)
[AMBER] Bad atom type: fe in MMPBSA calculations
- Cuiyl (Mon Mar 18 2013 - 01:50:13 PDT)
- Paul Mortenson (Thu Mar 14 2013 - 03:02:58 PDT)
- siddharth kesharwani (Thu Mar 14 2013 - 02:18:30 PDT)
- Cuiyl (Thu Mar 14 2013 - 01:57:55 PDT)
- Cuiyl (Thu Mar 14 2013 - 00:38:10 PDT)
- siddharth kesharwani (Wed Mar 13 2013 - 22:57:26 PDT)
- Cuiyl (Wed Mar 13 2013 - 22:03:59 PDT)
[AMBER] bug report: tinker_to_amber failed for systems containing counter ions
- Amber Amoeba (Tue Mar 05 2013 - 12:33:21 PST)
- Ye MEI (Mon Mar 04 2013 - 20:54:51 PST)
[AMBER] bug report: tinker_to_amber failed for systems containingcounter ions
- Amber Amoeba (Wed Mar 06 2013 - 10:27:27 PST)
- Ye MEI (Wed Mar 06 2013 - 00:19:25 PST)
[AMBER] bug report: tinker_to_amber failed for systemscontainingcounter ions
- Amber Amoeba (Wed Mar 06 2013 - 22:53:46 PST)
- Ye MEI (Wed Mar 06 2013 - 18:23:58 PST)
[AMBER] bug report: tinker_to_amber failed forsystemscontainingcounter ions
- Amber Amoeba (Thu Mar 07 2013 - 08:03:28 PST)
- Ye MEI (Thu Mar 07 2013 - 02:31:24 PST)
[AMBER] bug report: tinker_to_amber failedforsystemscontainingcounter ions
- Amber Amoeba (Mon Mar 11 2013 - 11:18:08 PDT)
- Ye MEI (Fri Mar 08 2013 - 07:35:35 PST)
[AMBER] bug report: tinker_to_amberfailedforsystemscontainingcounter ions
- Ye MEI (Thu Mar 14 2013 - 09:43:58 PDT)
- Ye MEI (Wed Mar 13 2013 - 07:48:07 PDT)
[AMBER] Build DNA structure based on squence
- Terry (Fri Mar 01 2013 - 01:51:52 PST)
- Tong ZHU (Fri Mar 01 2013 - 01:48:25 PST)
[AMBER] Can IMPOSE apply to improper angle?
- FyD (Thu Mar 07 2013 - 23:11:25 PST)
- kurisaki (Thu Mar 07 2013 - 21:05:04 PST)
[AMBER] can we calculate them together?
- Albert (Fri Mar 22 2013 - 07:44:32 PDT)
[AMBER] can we specify mpi path in ./configure?
- Albert (Tue Mar 19 2013 - 03:40:17 PDT)
- Jan-Philip Gehrcke (Tue Mar 19 2013 - 03:28:51 PDT)
- Albert (Tue Mar 19 2013 - 00:38:52 PDT)
- David A Case (Mon Mar 18 2013 - 18:09:11 PDT)
- Daniel Roe (Mon Mar 18 2013 - 14:39:30 PDT)
- Albert (Mon Mar 18 2013 - 13:30:28 PDT)
[AMBER] charge problem
- David A Case (Wed Mar 13 2013 - 06:34:45 PDT)
- tianchuan881 (Wed Mar 13 2013 - 04:13:18 PDT)
[AMBER] Charge relocation Amber 12
- CHAMI F. (Tue Mar 05 2013 - 05:54:03 PST)
[AMBER] Cofactor GDP Atom Types
- Daniel Roe (Fri Mar 15 2013 - 08:07:40 PDT)
- Ahmed Ayoub (Thu Mar 14 2013 - 12:22:40 PDT)
[AMBER] COM support with GPU
- Adrian Roitberg (Mon Mar 18 2013 - 12:17:15 PDT)
- Fabrício Bracht (Mon Mar 18 2013 - 12:04:27 PDT)
[AMBER] conformational sampling in non helical RNA structures
- Jiri Sponer (Sat Mar 30 2013 - 12:16:57 PDT)
- Asmita Gupta (Sat Mar 30 2013 - 11:27:27 PDT)
- Jiri Sponer (Sat Mar 30 2013 - 09:11:07 PDT)
- Asmita Gupta (Sat Mar 30 2013 - 08:44:39 PDT)
[AMBER] cpptraj
- Vaibhav Dixit (Tue Mar 26 2013 - 20:33:11 PDT)
- Jason Swails (Tue Mar 26 2013 - 07:50:39 PDT)
- Daniel Roe (Tue Mar 26 2013 - 07:48:00 PDT)
- Ignacio J. General (Tue Mar 26 2013 - 07:38:39 PDT)
- Daniel Roe (Tue Mar 26 2013 - 07:34:29 PDT)
- Ignacio J. General (Tue Mar 26 2013 - 07:25:58 PDT)
[AMBER] Cross correlation calculation
- Indrajit Deb (Wed Mar 06 2013 - 01:33:12 PST)
[AMBER] cudaMemcpy GpuBuffer::Download failed unspecified launch failure
- 涂志萍 (Sun Mar 17 2013 - 20:14:58 PDT)
- Gerald Monard (Sun Mar 17 2013 - 14:12:47 PDT)
- Jason Swails (Sat Mar 16 2013 - 08:46:56 PDT)
- 涂志萍 (Sat Mar 16 2013 - 02:49:57 PDT)
- Jason Swails (Sun Mar 10 2013 - 08:17:41 PDT)
- 涂志萍 (Sun Mar 10 2013 - 07:20:16 PDT)
- Jason Swails (Fri Mar 08 2013 - 05:20:12 PST)
- Ross Walker (Thu Mar 07 2013 - 21:02:19 PST)
- 涂志萍 (Thu Mar 07 2013 - 20:51:01 PST)
- Ross Walker (Thu Mar 07 2013 - 19:53:33 PST)
- Tu Zhiping (Thu Mar 07 2013 - 19:12:38 PST)
[AMBER] Cyclic peptide
- Itamar Kass (Med) (Sun Mar 24 2013 - 03:47:17 PDT)
- Jason Swails (Mon Mar 11 2013 - 06:21:35 PDT)
- Itamar Kass (Med) (Mon Mar 11 2013 - 03:34:59 PDT)
[AMBER] disulfide bonds
- Anselm Horn (Fri Mar 08 2013 - 06:17:00 PST)
- Urszula Uciechowska (Fri Mar 08 2013 - 06:03:42 PST)
[AMBER] Does MMPBSA.py actually make a file called _MMPBSA_nmode.in?
- Joel Dockray (Sun Mar 10 2013 - 09:31:15 PDT)
- Jason Swails (Sun Mar 10 2013 - 08:20:51 PDT)
- Joel Dockray (Sun Mar 10 2013 - 05:33:20 PDT)
[AMBER] Error in MMPBSA
- Saugata Hazra (Wed Mar 06 2013 - 15:30:12 PST)
- Jason Swails (Wed Mar 06 2013 - 15:15:33 PST)
- Saugata Hazra (Wed Mar 06 2013 - 14:52:22 PST)
- Jason Swails (Wed Mar 06 2013 - 14:12:43 PST)
- Saugata Hazra (Wed Mar 06 2013 - 12:50:15 PST)
- Ray Luo, Ph.D. (Wed Mar 06 2013 - 12:41:56 PST)
- Saugata Hazra (Wed Mar 06 2013 - 12:30:00 PST)
[AMBER] Error while generating B factor Graph
- Daniel Roe (Tue Mar 19 2013 - 13:16:44 PDT)
- Sumra Wajid Abbasi 30-FBAS/MSBI/F09 (Tue Mar 19 2013 - 02:55:10 PDT)
[AMBER] Estimating time in AMD
- Thomas Evangelidis (Sat Mar 02 2013 - 05:48:07 PST)
[AMBER] ff10 with ILDN + Best&Hummer modifications
- Vlad Cojocaru (Thu Mar 28 2013 - 07:17:39 PDT)
- Jason Swails (Thu Mar 28 2013 - 05:20:02 PDT)
- Vlad Cojocaru (Thu Mar 28 2013 - 03:56:59 PDT)
[AMBER] force field file
- FyD (Thu Feb 28 2013 - 22:32:25 PST)
[AMBER] frcmod file problem
- Jason Swails (Tue Mar 12 2013 - 13:41:49 PDT)
- tianchuan881 (Tue Mar 12 2013 - 06:09:22 PDT)
[AMBER] frcmod problem
- Daniel Roe (Tue Mar 12 2013 - 06:59:21 PDT)
- tianchuan881 (Tue Mar 12 2013 - 06:50:03 PDT)
[AMBER] Fwd: cudaMemcpy GpuBuffer::Download failed
- Ross Walker (Mon Mar 25 2013 - 10:35:11 PDT)
- Scott Le Grand (Mon Mar 25 2013 - 10:32:07 PDT)
- Ross Walker (Mon Mar 25 2013 - 10:22:05 PDT)
- Alessandro Orro (Mon Mar 25 2013 - 05:06:13 PDT)
[AMBER] Fwd: failed to run sander ....
- David A Case (Thu Mar 07 2013 - 12:15:36 PST)
- Brian Radak (Thu Mar 07 2013 - 12:03:28 PST)
- Shashidhar Rao (Thu Mar 07 2013 - 11:13:58 PST)
[AMBER] generate prepin from mol2 which has charges/atom types for Heme
- Vaibhav Dixit (Mon Mar 11 2013 - 08:24:57 PDT)
- Jason Swails (Mon Mar 11 2013 - 06:09:29 PDT)
- Vaibhav Dixit (Sun Mar 10 2013 - 21:37:45 PDT)
- David A Case (Sun Mar 10 2013 - 09:24:03 PDT)
- Jason Swails (Sun Mar 10 2013 - 08:25:28 PDT)
- Vaibhav Dixit (Sun Mar 10 2013 - 03:23:17 PDT)
[AMBER] Generating PDB files with atom radii information
- David A Case (Sat Mar 30 2013 - 07:52:51 PDT)
- Bill Ross (Fri Mar 29 2013 - 16:07:45 PDT)
- Bill Ross (Fri Mar 29 2013 - 16:03:13 PDT)
- aneesh cna (Thu Mar 28 2013 - 22:20:40 PDT)
- Daniel Roe (Thu Mar 28 2013 - 07:12:32 PDT)
- Jason Swails (Thu Mar 28 2013 - 05:46:51 PDT)
- aneesh cna (Thu Mar 28 2013 - 02:25:50 PDT)
- Bill Ross (Wed Mar 27 2013 - 22:32:23 PDT)
- aneesh cna (Wed Mar 27 2013 - 22:01:18 PDT)
[AMBER] GLYCAM-Web server disruptions
- Lachele Foley (Thu Mar 21 2013 - 07:17:38 PDT)
[AMBER] GPU job scheduling: looking for recommendations and experiences
- Jonathan Gough (Mon Mar 18 2013 - 09:10:16 PDT)
- Ross Walker (Mon Mar 18 2013 - 08:04:03 PDT)
- Jan-Philip Gehrcke (Mon Mar 18 2013 - 06:35:07 PDT)
[AMBER] GPU overload
- Scott Le Grand (Mon Mar 04 2013 - 16:43:11 PST)
- Hector A. Baldoni (Fri Mar 01 2013 - 11:57:10 PST)
- Fenley, Andrew (Fri Mar 01 2013 - 06:54:04 PST)
- Daniel Roe (Fri Mar 01 2013 - 06:43:08 PST)
- Baldoni Hector Armando (Fri Mar 01 2013 - 05:42:04 PST)
[AMBER] GTX 460 ?
- Aron Broom (Wed Mar 13 2013 - 07:35:28 PDT)
- John Gehman (Wed Mar 13 2013 - 06:40:47 PDT)
- Aron Broom (Tue Mar 12 2013 - 13:39:24 PDT)
- Hector A. Baldoni (Tue Mar 12 2013 - 12:20:57 PDT)
- Scott Le Grand (Tue Mar 12 2013 - 10:39:58 PDT)
- John Gehman (Mon Mar 11 2013 - 18:56:30 PDT)
- Ross Walker (Mon Mar 11 2013 - 08:20:22 PDT)
- Baldoni Hector Armando (Mon Mar 11 2013 - 06:59:26 PDT)
- Jason Swails (Mon Mar 11 2013 - 06:13:47 PDT)
- John Gehman (Sun Mar 10 2013 - 23:54:31 PDT)
[AMBER] GTX Titan was finally released
- Ross Walker (Mon Mar 18 2013 - 15:53:11 PDT)
- Albert (Mon Mar 18 2013 - 11:29:09 PDT)
- filip fratev (Mon Mar 18 2013 - 10:58:13 PDT)
- filip fratev (Sun Mar 17 2013 - 06:53:32 PDT)
- Ross Walker (Sat Mar 16 2013 - 18:08:47 PDT)
- filip fratev (Thu Mar 14 2013 - 12:48:45 PDT)
- Scott Le Grand (Thu Mar 14 2013 - 12:14:57 PDT)
- Ross Walker (Thu Mar 14 2013 - 11:54:28 PDT)
- Gustavo Seabra (Thu Mar 14 2013 - 10:49:07 PDT)
- Aron Broom (Thu Mar 14 2013 - 10:42:22 PDT)
- Gustavo Seabra (Thu Mar 14 2013 - 10:31:43 PDT)
- filip fratev (Thu Mar 14 2013 - 09:33:40 PDT)
[AMBER] Histidine problem
- Aron Broom (Wed Mar 27 2013 - 20:41:57 PDT)
- Changqing Yan (Wed Mar 27 2013 - 20:18:15 PDT)
[AMBER] how can we calculate average dihedral for aMD?
- Albert (Sun Mar 24 2013 - 09:45:57 PDT)
- Albert (Sun Mar 24 2013 - 09:30:52 PDT)
- David A Case (Sun Mar 24 2013 - 08:17:11 PDT)
- Albert (Sun Mar 24 2013 - 04:41:17 PDT)
[AMBER] how can we plot energy profile for REMD?
- Albert (Thu Mar 21 2013 - 01:51:11 PDT)
[AMBER] How protein-water electrostatic interaction can be turned off keeping protein-protein vdw, protein-protein (vdw+elect) and water-water (vdw+elect) intact
- steinbrt.rci.rutgers.edu (Wed Mar 20 2013 - 03:34:02 PDT)
- somedatta pal (Wed Mar 20 2013 - 03:28:42 PDT)
[AMBER] How to implement QM/MM-PBSA method in Amber 11 with AmberTools 12
- Jason Swails (Thu Mar 28 2013 - 05:32:01 PDT)
- dbaogen (Wed Mar 27 2013 - 23:36:58 PDT)
[AMBER] how to plot CA matrix?
- Albert (Sun Mar 24 2013 - 05:14:00 PDT)
[AMBER] how to restart a molecular dynamics simulation
- Hector A. Baldoni (Tue Mar 05 2013 - 12:22:49 PST)
- Jason Swails (Tue Mar 05 2013 - 11:59:33 PST)
- Emilio Angelina (Tue Mar 05 2013 - 11:46:52 PST)
[AMBER] how to save a snapshot from the trajectory
- Daniel Roe (Tue Mar 19 2013 - 13:00:58 PDT)
- Benjamin D Madej (Tue Mar 19 2013 - 10:46:48 PDT)
- Sindrila Dutta banik (Mon Mar 18 2013 - 23:25:07 PDT)
[AMBER] How to use AMBER parameters for modified amino acids
- Symon Gathiaka (Sat Mar 23 2013 - 10:38:43 PDT)
- David A Case (Thu Mar 21 2013 - 05:29:14 PDT)
- Symon Gathiaka (Wed Mar 20 2013 - 14:27:37 PDT)
[AMBER] Hydration Free Enery by TI
- Kepa K. Burusco (Wed Mar 20 2013 - 04:50:32 PDT)
- steinbrt.rci.rutgers.edu (Wed Mar 20 2013 - 02:36:19 PDT)
- Kepa K. Burusco (Tue Mar 19 2013 - 12:27:18 PDT)
- steinbrt.rci.rutgers.edu (Tue Mar 19 2013 - 04:07:27 PDT)
- steinbrt.rci.rutgers.edu (Tue Mar 19 2013 - 04:00:39 PDT)
- Ignacio J. General (Mon Mar 18 2013 - 10:07:36 PDT)
- Kepa K. Burusco (Mon Mar 18 2013 - 09:28:18 PDT)
- Kepa K. Burusco (Mon Mar 18 2013 - 09:11:32 PDT)
- steinbrt.rci.rutgers.edu (Fri Mar 15 2013 - 17:28:29 PDT)
- Kepa K. Burusco (Fri Mar 15 2013 - 10:06:25 PDT)
[AMBER] IED web link to essential dynamics is broken
- David A Case (Mon Mar 25 2013 - 04:55:14 PDT)
- Vaibhav Dixit (Sat Mar 23 2013 - 21:34:50 PDT)
- David A Case (Sat Mar 23 2013 - 07:11:11 PDT)
- Vlad Cojocaru (Tue Mar 19 2013 - 06:40:49 PDT)
- Vaibhav Dixit (Tue Mar 19 2013 - 05:20:49 PDT)
[AMBER] igb=8 available for MMPBSA.py ?
- Hai Nguyen (Thu Mar 07 2013 - 11:00:15 PST)
[AMBER] Imaging issues with ptraj
- Kira Armacost (Mon Mar 11 2013 - 07:05:06 PDT)
- Daniel Roe (Sat Mar 09 2013 - 19:50:46 PST)
- Kira Armacost (Sat Mar 09 2013 - 17:55:06 PST)
[AMBER] Implicit membrane models
- Gustavo Seabra (Fri Mar 01 2013 - 12:34:04 PST)
- Ray Luo, Ph.D. (Fri Mar 01 2013 - 12:07:11 PST)
- Gustavo Seabra (Fri Mar 01 2013 - 10:32:02 PST)
[AMBER] impose for improper torsion: from I. Kurisaki
- kurisaki (Fri Mar 08 2013 - 05:37:20 PST)
- Jason Swails (Fri Mar 08 2013 - 05:08:23 PST)
- kurisaki (Fri Mar 08 2013 - 03:46:14 PST)
- FyD (Fri Mar 08 2013 - 03:36:35 PST)
[AMBER] ions (salt concentration) and deep energetics problem
- David A Case (Tue Mar 19 2013 - 05:11:05 PDT)
- kurisaki (Mon Mar 18 2013 - 17:40:59 PDT)
- Neha Gandhi (Mon Mar 18 2013 - 07:04:24 PDT)
[AMBER] Is there a way to keep ions fixed in a amber MD?
- Jason Swails (Thu Mar 07 2013 - 05:48:42 PST)
- Changqing Yan (Thu Mar 07 2013 - 05:39:51 PST)
[AMBER] Kepler and Amber11?
- Ismail, Mohd F. (Sat Mar 02 2013 - 12:14:35 PST)
- Jason Swails (Fri Mar 01 2013 - 06:16:54 PST)
- Ismail, Mohd F. (Fri Mar 01 2013 - 00:16:16 PST)
[AMBER] Langevin Dynamics
- George Tzotzos (Fri Mar 22 2013 - 13:56:54 PDT)
- David A Case (Fri Mar 22 2013 - 13:06:51 PDT)
- George Tzotzos (Fri Mar 22 2013 - 12:00:27 PDT)
[AMBER] leap - removing terminals problem
- Jason Swails (Fri Mar 22 2013 - 10:05:09 PDT)
- Ignacio J. General (Fri Mar 22 2013 - 09:59:08 PDT)
- Daniel Roe (Fri Mar 22 2013 - 09:15:45 PDT)
- Ignacio J. General (Fri Mar 22 2013 - 08:59:32 PDT)
[AMBER] leap insert missing atoms in aminoacids according to ...
- David A Case (Tue Mar 19 2013 - 07:36:52 PDT)
- Marta Perez (Tue Mar 19 2013 - 05:34:18 PDT)
- David A Case (Tue Mar 19 2013 - 05:06:54 PDT)
- Marta Perez (Tue Mar 19 2013 - 03:25:51 PDT)
[AMBER] ligand molecule problem
- Jason Swails (Mon Mar 11 2013 - 06:18:14 PDT)
- tianchuan881 (Sun Mar 10 2013 - 20:08:09 PDT)
[AMBER] mapping problem with makeDIST_RST
- David A Case (Fri Mar 15 2013 - 08:20:35 PDT)
- David A Case (Fri Mar 15 2013 - 05:02:04 PDT)
- Bayse, Craig A. (Mon Mar 11 2013 - 11:14:05 PDT)
[AMBER] March 15 deadline for ACS COMP division awards for Fall 2013 Indianapolis national meeting
- Carlos Simmerling (Sat Mar 02 2013 - 05:04:05 PST)
[AMBER] March 5, 2013 Webinar: AMBER and Kepler GPUs
- mark94025.comcast.net (Thu Feb 28 2013 - 21:00:11 PST)
[AMBER] Meaning of electrostatic pairwise interaction in GB/PBSA
- steinbrt.rci.rutgers.edu (Wed Mar 20 2013 - 07:20:35 PDT)
- Jason Swails (Wed Mar 20 2013 - 07:05:05 PDT)
- Jason Swails (Wed Mar 20 2013 - 07:03:35 PDT)
- Josep Maria Campanera Alsina (Tue Mar 19 2013 - 08:00:55 PDT)
[AMBER] membrane protein modeling
- Benjamin D Madej (Sun Mar 24 2013 - 22:15:34 PDT)
- Kong, Ren (Sun Mar 24 2013 - 16:55:38 PDT)
[AMBER] minor development note: make symbolic link to pmemd.cuda relative instead of absolute
- Ross Walker (Wed Mar 27 2013 - 11:07:10 PDT)
- Jan-Philip Gehrcke (Wed Mar 27 2013 - 05:26:40 PDT)
[AMBER] MM PBSA tutorial
- steinbrt.rci.rutgers.edu (Thu Mar 28 2013 - 08:05:40 PDT)
- Jason Swails (Thu Mar 28 2013 - 06:37:04 PDT)
- rajith bhaskaran (Thu Mar 28 2013 - 06:26:16 PDT)
- steinbrt.rci.rutgers.edu (Thu Mar 28 2013 - 06:16:56 PDT)
- rajith bhaskaran (Thu Mar 28 2013 - 06:03:12 PDT)
- rajith bhaskaran (Thu Mar 28 2013 - 05:55:43 PDT)
- Jason Swails (Thu Mar 28 2013 - 05:54:14 PDT)
- steinbrt.rci.rutgers.edu (Thu Mar 28 2013 - 05:46:31 PDT)
- rajith bhaskaran (Thu Mar 28 2013 - 05:42:42 PDT)
[AMBER] MMPBSA ATP-Mg
- Jason Swails (Wed Mar 13 2013 - 14:13:24 PDT)
- Chiara Pallara (Wed Mar 13 2013 - 10:54:38 PDT)
[AMBER] MMPBSA calculations
- Ray Luo, Ph.D. (Wed Mar 27 2013 - 14:11:30 PDT)
- Chinthaka Ratnaweera (Wed Mar 27 2013 - 14:01:10 PDT)
- Jason Swails (Wed Mar 27 2013 - 11:31:50 PDT)
- Ray Luo, Ph.D. (Wed Mar 27 2013 - 11:02:45 PDT)
- Chinthaka Ratnaweera (Wed Mar 27 2013 - 10:46:39 PDT)
- Jason Swails (Wed Mar 27 2013 - 09:48:43 PDT)
- Chinthaka Ratnaweera (Wed Mar 27 2013 - 09:08:20 PDT)
[AMBER] mmpbsa calculations for a ternary protein/dna/ligand complex in presence of cocrystalized Mg ions
- Jason Swails (Thu Mar 21 2013 - 15:37:54 PDT)
- Miguel Ortiz Lombardía (Thu Mar 21 2013 - 08:52:58 PDT)
- Jason Swails (Thu Mar 21 2013 - 08:36:19 PDT)
- Giulia (Thu Mar 21 2013 - 08:26:00 PDT)
[AMBER] mmpbsa calculations on a PROTEIN/DNA/LIGAND ternary complex
- Miguel Ortiz Lombardía (Thu Mar 21 2013 - 03:18:57 PDT)
- Giulia (Thu Mar 21 2013 - 02:14:13 PDT)
- Miguel Ortiz Lombardia (Wed Mar 20 2013 - 10:52:29 PDT)
- Giulia Palermo (Wed Mar 20 2013 - 10:33:11 PDT)
[AMBER] MMPBSA jobs on a cluster Calcerror:
- Jason Swails (Wed Mar 06 2013 - 15:19:04 PST)
- Jason Swails (Wed Mar 06 2013 - 15:16:59 PST)
- Vivek Shankar Bharadwaj (Wed Mar 06 2013 - 14:26:53 PST)
- Jason Swails (Wed Mar 06 2013 - 14:13:29 PST)
- Vivek Shankar Bharadwaj (Wed Mar 06 2013 - 14:00:14 PST)
- Jason Swails (Wed Mar 06 2013 - 13:47:18 PST)
- Vivek Shankar Bharadwaj (Wed Mar 06 2013 - 12:36:30 PST)
- Jason Swails (Wed Mar 06 2013 - 12:25:39 PST)
- Vivek Shankar Bharadwaj (Wed Mar 06 2013 - 12:05:01 PST)
[AMBER] Modified amino acid parameter generation
- FyD (Thu Feb 28 2013 - 22:13:51 PST)
[AMBER] modified dna
- Jason Swails (Fri Mar 15 2013 - 06:50:18 PDT)
- Mary Varughese (Fri Mar 15 2013 - 02:45:49 PDT)
[AMBER] N-Carboxymethionine charges and parameters for AMBER
- FyD (Sat Mar 09 2013 - 23:23:10 PST)
- ABEL Stephane 175950 (Sat Mar 09 2013 - 02:46:58 PST)
[AMBER] no restrains?
- Albert (Mon Mar 18 2013 - 07:44:10 PDT)
- David A Case (Mon Mar 18 2013 - 07:40:21 PDT)
- Albert (Mon Mar 18 2013 - 06:43:30 PDT)
[AMBER] Number Excluded Atoms List Generation
- Jason Swails (Thu Mar 07 2013 - 10:52:41 PST)
- cieplak.cgl.ucsf.edu (Thu Mar 07 2013 - 09:04:56 PST)
- Browning, Nicholas (Thu Mar 07 2013 - 08:53:40 PST)
[AMBER] NVIDIA GTX-675
- Ross Walker (Tue Mar 12 2013 - 07:57:48 PDT)
- Cenk \(Jenk\) Andac (Tue Mar 12 2013 - 07:49:54 PDT)
[AMBER] NVT stacked at GPU running
- Ross Walker (Sat Mar 23 2013 - 10:18:01 PDT)
- Albert (Sat Mar 23 2013 - 01:45:30 PDT)
- Ross Walker (Mon Mar 18 2013 - 15:49:24 PDT)
- Albert (Mon Mar 18 2013 - 13:17:42 PDT)
- Albert (Mon Mar 18 2013 - 11:10:24 PDT)
- Albert (Mon Mar 18 2013 - 11:09:05 PDT)
- Scott Le Grand (Mon Mar 18 2013 - 09:22:34 PDT)
- Ross Walker (Mon Mar 18 2013 - 09:17:51 PDT)
- Albert (Mon Mar 18 2013 - 08:51:44 PDT)
[AMBER] one sided connection warning HEM P450 MD input files
- Vaibhav Dixit (Thu Mar 28 2013 - 22:17:19 PDT)
- Vaibhav Dixit (Sat Mar 23 2013 - 22:53:15 PDT)
[AMBER] organic
- 纪晓峰 (Fri Mar 15 2013 - 00:37:47 PDT)
[AMBER] patching unsuccessful even after modifying patch_amber.py
- Jan-Philip Gehrcke (Mon Mar 25 2013 - 06:31:46 PDT)
- Vaibhav Dixit (Mon Mar 25 2013 - 06:26:41 PDT)
- Jason Swails (Mon Mar 25 2013 - 06:24:16 PDT)
- Vaibhav Dixit (Mon Mar 25 2013 - 06:16:53 PDT)
- Jason Swails (Mon Mar 25 2013 - 04:21:00 PDT)
- Jan-Philip Gehrcke (Mon Mar 25 2013 - 04:05:20 PDT)
- Vaibhav Dixit (Mon Mar 25 2013 - 03:49:36 PDT)
- Jan-Philip Gehrcke (Mon Mar 25 2013 - 03:32:06 PDT)
- Vaibhav Dixit (Mon Mar 25 2013 - 03:17:05 PDT)
- Jason Swails (Mon Mar 25 2013 - 03:03:44 PDT)
- Vaibhav Dixit (Sun Mar 24 2013 - 23:04:02 PDT)
- Vaibhav Dixit (Sun Mar 24 2013 - 22:43:41 PDT)
- Jason Swails (Sun Mar 24 2013 - 17:19:17 PDT)
- Jason Swails (Sun Mar 24 2013 - 17:12:25 PDT)
- Vaibhav Dixit (Sun Mar 24 2013 - 05:17:50 PDT)
[AMBER] PB Bomb in pb_aaradi(): No radius assigned for atom 530 C5' CI
- Jason Swails (Thu Mar 28 2013 - 10:01:58 PDT)
- Xioling Chuang (Thu Mar 28 2013 - 08:56:21 PDT)
- Jason Swails (Thu Mar 28 2013 - 08:37:30 PDT)
- Xioling Chuang (Thu Mar 28 2013 - 08:25:51 PDT)
[AMBER] PCI-E 2.0 vs 3.0 (AMD vs INTEL?)
- Jonathan Gough (Fri Mar 01 2013 - 04:24:14 PST)
- Benjamin D Madej (Thu Feb 28 2013 - 22:05:38 PST)
- Benjamin D Madej (Thu Feb 28 2013 - 22:00:21 PST)
- Aron Broom (Thu Feb 28 2013 - 21:24:10 PST)
[AMBER] PMEMD in amber12
- Mary Varughese (Mon Mar 18 2013 - 22:31:27 PDT)
- Ross Walker (Mon Mar 18 2013 - 16:34:09 PDT)
- Mary Varughese (Mon Mar 18 2013 - 10:58:36 PDT)
- Mary Varughese (Fri Mar 15 2013 - 10:01:20 PDT)
- Ross Walker (Fri Mar 15 2013 - 09:27:31 PDT)
- Mary Varughese (Fri Mar 15 2013 - 09:23:53 PDT)
- Ross Walker (Fri Mar 15 2013 - 08:27:42 PDT)
- Jason Swails (Fri Mar 15 2013 - 06:49:11 PDT)
- Mary Varughese (Thu Mar 14 2013 - 20:20:54 PDT)
- Ross Walker (Thu Mar 14 2013 - 08:46:16 PDT)
- Mary Varughese (Thu Mar 14 2013 - 08:04:05 PDT)
[AMBER] pmemd.cuda compilation problems on Ubuntu 12.4
- Daniel Roe (Wed Mar 20 2013 - 12:15:31 PDT)
- Jan-Philip Gehrcke (Wed Mar 20 2013 - 11:38:40 PDT)
- Weinzierl, Robert O J (Wed Mar 20 2013 - 10:56:51 PDT)
[AMBER] problem
- tianchuan881 (Thu Mar 14 2013 - 00:13:54 PDT)
[AMBER] problem combining trajectories with diff. number of residues
- Vaibhav Dixit (Tue Mar 26 2013 - 20:20:01 PDT)
- Daniel Roe (Tue Mar 26 2013 - 07:55:08 PDT)
- Vaibhav Dixit (Tue Mar 26 2013 - 04:11:28 PDT)
- Daniel Roe (Thu Mar 21 2013 - 07:35:12 PDT)
- Vaibhav Dixit (Wed Mar 20 2013 - 22:07:03 PDT)
- Daniel Roe (Wed Mar 20 2013 - 07:59:59 PDT)
- Vaibhav Dixit (Tue Mar 19 2013 - 21:33:36 PDT)
- David A Case (Tue Mar 19 2013 - 04:56:21 PDT)
- Vaibhav Dixit (Tue Mar 19 2013 - 00:28:12 PDT)
[AMBER] Problem in Arsenite parameterisation
- Daniel Roe (Sat Mar 02 2013 - 12:47:22 PST)
- Kshatresh Dutta Dubey (Sat Mar 02 2013 - 10:39:05 PST)
- Kshatresh Dutta Dubey (Sat Mar 02 2013 - 10:28:31 PST)
- Jason Swails (Sat Mar 02 2013 - 10:22:42 PST)
- Kshatresh Dutta Dubey (Sat Mar 02 2013 - 01:03:09 PST)
- Daniel Roe (Fri Mar 01 2013 - 06:44:16 PST)
- Kshatresh Dutta Dubey (Fri Mar 01 2013 - 05:28:00 PST)
[AMBER] problem in calculating electrostatic potential using PBSA
- N Nandi (Sun Mar 03 2013 - 21:52:11 PST)
[AMBER] problem in generating pbsa.phi file using PBSA
- Ray Luo, Ph.D. (Fri Mar 29 2013 - 16:39:24 PDT)
- N Nandi (Thu Mar 28 2013 - 22:06:09 PDT)
- N Nandi (Fri Mar 22 2013 - 01:57:55 PDT)
- Ray Luo, Ph.D. (Tue Mar 19 2013 - 15:10:19 PDT)
- Ray Luo, Ph.D. (Mon Mar 18 2013 - 14:38:31 PDT)
- N Nandi (Sun Mar 17 2013 - 22:15:37 PDT)
[AMBER] Problem in parallel installation of Amber 12
- Kshatresh Dutta Dubey (Wed Mar 13 2013 - 04:21:37 PDT)
- Jason Swails (Tue Mar 12 2013 - 12:17:28 PDT)
- Ross Walker (Tue Mar 12 2013 - 09:55:51 PDT)
- Kshatresh Dutta Dubey (Tue Mar 12 2013 - 08:59:03 PDT)
- Ross Walker (Tue Mar 12 2013 - 08:53:56 PDT)
- Kshatresh Dutta Dubey (Tue Mar 12 2013 - 08:41:49 PDT)
[AMBER] problem in running antechamber
- M. L. Dodson (Tue Mar 26 2013 - 02:22:14 PDT)
- Anshuman Dixit (Tue Mar 26 2013 - 00:39:08 PDT)
[AMBER] Problem parsing PB output using MMPBSA.py in AMBER11 and AmberTools 1.5
- Jason Swails (Tue Mar 05 2013 - 04:36:38 PST)
- dbaogen (Mon Mar 04 2013 - 19:10:55 PST)
- Jason Swails (Mon Mar 04 2013 - 04:37:14 PST)
- dbaogen (Mon Mar 04 2013 - 04:27:08 PST)
[AMBER] Problem reading a psf file in cpptraj
- Daniel Roe (Fri Mar 29 2013 - 13:44:17 PDT)
- Ganesh Kamath (Fri Mar 29 2013 - 13:35:50 PDT)
- Daniel Roe (Fri Mar 29 2013 - 12:57:41 PDT)
- Ganesh Kamath (Fri Mar 29 2013 - 11:43:15 PDT)
[AMBER] problem to generate pbsa.phi file using PBSA
- N Nandi (Thu Mar 07 2013 - 23:38:13 PST)
[AMBER] Problem to save a particular snapshot from the trajectory
- David A Case (Tue Mar 19 2013 - 07:39:32 PDT)
- Sindrila Dutta banik (Tue Mar 19 2013 - 05:56:01 PDT)
[AMBER] Problem with Alanine Scanning using MMPBSA.py with Terminal Residues
- Jason Swails (Tue Mar 19 2013 - 07:31:28 PDT)
- Yew Mun Yip (Mon Mar 18 2013 - 20:54:52 PDT)
[AMBER] problems in parameters calculated with AMBER
- Brian Radak (Tue Mar 26 2013 - 09:14:09 PDT)
- Anna Marabotti (Tue Mar 26 2013 - 02:41:00 PDT)
- Jason Swails (Mon Mar 25 2013 - 05:27:59 PDT)
- Anna MARABOTTI (Mon Mar 25 2013 - 05:12:09 PDT)
[AMBER] ptraj action command
- Daniel Roe (Sun Mar 03 2013 - 20:46:03 PST)
- Sun (Sun Mar 03 2013 - 18:57:49 PST)
[AMBER] ptraj skipping frames depending on the computer OS?
- Daniel Roe (Fri Mar 15 2013 - 08:49:55 PDT)
- Miguel Ortiz Lombardía (Fri Mar 15 2013 - 03:08:35 PDT)
- Miguel Ortiz Lombardía (Thu Mar 14 2013 - 08:31:59 PDT)
[AMBER] QM/MM restart problem
- R. Xiong (Thu Mar 14 2013 - 14:01:18 PDT)
- Gustavo Seabra (Thu Mar 14 2013 - 13:45:30 PDT)
- R. Xiong (Thu Mar 14 2013 - 13:13:57 PDT)
- M. L. Dodson (Thu Mar 14 2013 - 12:49:54 PDT)
- R. Xiong (Thu Mar 14 2013 - 12:23:00 PDT)
- Matthew Zwier (Thu Mar 14 2013 - 11:54:59 PDT)
- R. Xiong (Thu Mar 14 2013 - 11:14:09 PDT)
- R. Xiong (Thu Mar 14 2013 - 10:53:09 PDT)
- Gustavo Seabra (Thu Mar 14 2013 - 10:29:55 PDT)
- Brian Radak (Thu Mar 14 2013 - 09:26:29 PDT)
- R. Xiong (Thu Mar 14 2013 - 07:42:56 PDT)
[AMBER] Query on Steered Molecular Dynamics
- Jason Swails (Wed Mar 13 2013 - 06:44:12 PDT)
- siddharth kesharwani (Wed Mar 13 2013 - 04:29:51 PDT)
- Dmitry Nilov (Tue Mar 05 2013 - 05:24:02 PST)
- siddharth kesharwani (Tue Mar 05 2013 - 05:01:34 PST)
[AMBER] Question about 'sequence' command
- Ismail, Mohd F. (Tue Mar 26 2013 - 22:57:16 PDT)
- Ismail, Mohd F. (Tue Mar 26 2013 - 22:47:34 PDT)
[AMBER] Question about AM1BCC
- steinbrt.rci.rutgers.edu (Thu Mar 14 2013 - 09:40:49 PDT)
- Ismail, Mohd F. (Thu Mar 14 2013 - 00:15:59 PDT)
[AMBER] R: mmpbsa calculations for a ternary protein/dna/ligand complex
- Miguel Ortiz Lombardía (Fri Mar 22 2013 - 03:32:02 PDT)
- Giulia (Fri Mar 22 2013 - 02:18:26 PDT)
[AMBER] R: mmpbsa calculations on a PROTEIN/DNA/LIGAND ternary complex
- Miguel Ortiz Lombardía (Thu Mar 21 2013 - 07:44:20 PDT)
- Giulia Palermo (Thu Mar 21 2013 - 07:08:02 PDT)
[AMBER] RE : PMEMD in amber12
- ABEL Stephane 175950 (Thu Mar 14 2013 - 08:34:16 PDT)
[AMBER] RE : problems in parameters calculated with AMBER
- ABEL Stephane 175950 (Mon Mar 25 2013 - 05:30:35 PDT)
[AMBER] Regarding centering a tetrameric molecule
- Daniel Roe (Mon Mar 11 2013 - 05:12:08 PDT)
- dilrajl.bii.a-star.edu.sg (Sun Mar 10 2013 - 23:50:16 PDT)
- Jason Swails (Fri Mar 08 2013 - 05:15:20 PST)
- dilrajl.bii.a-star.edu.sg (Fri Mar 08 2013 - 04:51:00 PST)
[AMBER] Regarding MSD calculations in ptraj
- DEBOSTUTI GHOSHDASTIDAR (Fri Mar 15 2013 - 22:56:15 PDT)
- Daniel Roe (Fri Mar 15 2013 - 08:16:17 PDT)
- DEBOSTUTI GHOSHDASTIDAR (Fri Mar 15 2013 - 03:32:32 PDT)
[AMBER] REMD simulation
- sudipta (Fri Mar 15 2013 - 09:25:31 PDT)
- sudipta (Fri Mar 15 2013 - 09:24:35 PDT)
- Carlos Simmerling (Fri Mar 15 2013 - 09:03:05 PDT)
- Niel Henriksen (Thu Mar 14 2013 - 18:39:13 PDT)
- sudipta (Thu Mar 14 2013 - 16:51:42 PDT)
- Bill Ross (Thu Mar 14 2013 - 16:47:55 PDT)
- Jason Swails (Thu Mar 14 2013 - 16:43:06 PDT)
- sudipta (Thu Mar 14 2013 - 16:28:52 PDT)
- Bill Ross (Thu Mar 14 2013 - 16:12:20 PDT)
- sudipta (Thu Mar 14 2013 - 16:07:41 PDT)
- Niel Henriksen (Thu Mar 14 2013 - 15:51:42 PDT)
- sudipta (Thu Mar 14 2013 - 10:06:51 PDT)
[AMBER] residue-wise SASA calculation in CPPTRAJ
- Daniel Roe (Tue Mar 26 2013 - 07:40:20 PDT)
- Jason Swails (Tue Mar 26 2013 - 04:54:31 PDT)
- aneesh cna (Tue Mar 26 2013 - 03:08:48 PDT)
[AMBER] RESP charges for iron-sulfur cluster
- safwat abdel-azeim (Fri Mar 15 2013 - 10:51:21 PDT)
- David A Case (Fri Mar 15 2013 - 08:24:03 PDT)
- safwat abdel-azeim (Fri Mar 15 2013 - 05:33:28 PDT)
- David A Case (Fri Mar 15 2013 - 05:13:31 PDT)
- safwat abdel-azeim (Mon Mar 11 2013 - 04:57:59 PDT)
- francesco oteri (Mon Mar 11 2013 - 03:29:50 PDT)
- safwat abdel-azeim (Mon Mar 11 2013 - 02:42:45 PDT)
[AMBER] Restart SMD simulation
- Jason Swails (Tue Mar 12 2013 - 15:23:49 PDT)
- Attilio Vittorio Vargiu (Tue Mar 12 2013 - 08:35:59 PDT)
[AMBER] restraint domains
- zhenquan hu (Fri Mar 01 2013 - 08:42:15 PST)
[AMBER] RMSD Fluctuation
- Carlos Simmerling (Thu Mar 07 2013 - 03:24:01 PST)
- Daniel Roe (Tue Mar 05 2013 - 21:01:46 PST)
- Theodosia Teo (Tue Mar 05 2013 - 19:28:40 PST)
[AMBER] RMSD with ptraj fit vs unfit
- HIMANSHU JOSHI (Wed Mar 27 2013 - 23:07:31 PDT)
- Aron Broom (Wed Mar 27 2013 - 10:22:35 PDT)
- Daniel Roe (Wed Mar 27 2013 - 10:22:11 PDT)
- HIMANSHU JOSHI (Wed Mar 27 2013 - 10:17:38 PDT)
[AMBER] rotational diffusion via cpptraj
- George M Giambasu (Fri Mar 29 2013 - 06:14:03 PDT)
- Vijay Manickam Achari (Fri Mar 29 2013 - 04:11:12 PDT)
[AMBER] RXSGLD Simulation Error
- Jason Swails (Fri Mar 22 2013 - 15:51:14 PDT)
- Mark Healey (Fri Mar 22 2013 - 13:05:49 PDT)
- Mark Healey (Thu Mar 21 2013 - 12:53:27 PDT)
[AMBER] Segmentation fault with EVB calculations on multiple cores for a system with more than 60 atom types
- Elise Duboué-Dijon (Mon Mar 04 2013 - 15:19:05 PST)
[AMBER] SMD centre of the restraint
- Jason Swails (Sat Mar 23 2013 - 19:24:37 PDT)
- George Tzotzos (Sat Mar 23 2013 - 14:51:21 PDT)
[AMBER] Softcore selection
- steinbrt.rci.rutgers.edu (Fri Mar 01 2013 - 00:41:48 PST)
- Fabrício Bracht (Thu Feb 28 2013 - 20:19:24 PST)
[AMBER] solvating and neutralizing a lipid bilayer
- John Gehman (Wed Mar 20 2013 - 08:28:00 PDT)
- Daniel Roe (Wed Mar 20 2013 - 07:40:35 PDT)
- John Gehman (Wed Mar 20 2013 - 07:16:11 PDT)
[AMBER] strange output information
- Daniel Roe (Thu Mar 28 2013 - 06:02:19 PDT)
- Albert (Thu Mar 28 2013 - 03:02:53 PDT)
[AMBER] temperature fluctuation amber ntp ensemble
- Ross Walker (Thu Mar 07 2013 - 20:09:46 PST)
- Brian Radak (Mon Mar 04 2013 - 08:35:50 PST)
- Neha Gandhi (Mon Mar 04 2013 - 06:50:53 PST)
[AMBER] test
- Amber Amoeba (Tue Mar 05 2013 - 14:27:01 PST)
[AMBER] The err Install of Amber12 and AmberTools on opensuse 12.3
- Jason Swails (Thu Mar 14 2013 - 09:56:37 PDT)
- javacfish (Thu Mar 14 2013 - 08:51:21 PDT)
- javacfish (Thu Mar 14 2013 - 02:05:54 PDT)
- filip fratev (Wed Mar 13 2013 - 15:44:46 PDT)
- filip fratev (Wed Mar 13 2013 - 14:55:58 PDT)
- Jason Swails (Wed Mar 13 2013 - 14:19:14 PDT)
- javacfish (Wed Mar 13 2013 - 10:54:21 PDT)
[AMBER] the protein was crashed
- 纪晓峰 (Mon Mar 25 2013 - 19:24:25 PDT)
- 纪晓峰 (Mon Mar 25 2013 - 19:23:24 PDT)
- David A Case (Fri Mar 15 2013 - 04:52:37 PDT)
- 纪晓峰 (Fri Mar 15 2013 - 00:44:55 PDT)
[AMBER] the prpblem in constructing the close circular DNA
- David A Case (Mon Mar 25 2013 - 04:47:29 PDT)
- llduan (Sun Mar 24 2013 - 18:02:42 PDT)
[AMBER] Thermodynamic Integration
- David A Case (Tue Mar 12 2013 - 05:48:01 PDT)
- Shruti Koulgi (Tue Mar 12 2013 - 05:25:47 PDT)
[AMBER] TIP5P water simulation
- David A Case (Wed Mar 06 2013 - 17:49:09 PST)
- Brian Radak (Wed Mar 06 2013 - 10:29:32 PST)
- 강현아 (Wed Mar 06 2013 - 07:32:59 PST)
- Brian Radak (Wed Mar 06 2013 - 06:34:41 PST)
- 강현아 (Wed Mar 06 2013 - 03:31:48 PST)
[AMBER] tleap output of mol2 format with incorrect bond order
- FyD (Thu Mar 07 2013 - 12:50:57 PST)
- Marko Wehle (Thu Mar 07 2013 - 09:08:23 PST)
[AMBER] trajin: command not found
- uday spike (Thu Mar 14 2013 - 05:22:41 PDT)
- Daniel Roe (Tue Mar 12 2013 - 07:41:25 PDT)
- uday spike (Tue Mar 12 2013 - 07:31:45 PDT)
[AMBER] Trouble with MM-PBSA calculations in large complex
- Jason Swails (Thu Mar 21 2013 - 15:34:45 PDT)
- Amy Davenport (Thu Mar 21 2013 - 12:05:12 PDT)
- Jason Swails (Wed Mar 20 2013 - 06:04:41 PDT)
- Amy Davenport (Tue Mar 19 2013 - 17:27:19 PDT)
[AMBER] tutorial on thermodynamic integration
- Shruti Koulgi (Tue Mar 19 2013 - 04:44:53 PDT)
[AMBER] urea frcmod file
- FyD (Tue Mar 19 2013 - 05:50:56 PDT)
- gargi borgohai (Tue Mar 19 2013 - 00:17:29 PDT)
[AMBER] VLIMIT problem with Folic acid (gaff parm)
- HIMANSHU JOSHI (Wed Mar 06 2013 - 21:19:07 PST)
[AMBER] WG: tleap output of mol2 format with incorrect bond order
- David A Case (Fri Mar 08 2013 - 14:57:25 PST)
- Marko Wehle (Fri Mar 08 2013 - 08:51:45 PST)
- Bill Ross (Thu Mar 07 2013 - 15:36:22 PST)
- David A Case (Thu Mar 07 2013 - 12:04:44 PST)
- Jason Swails (Thu Mar 07 2013 - 12:01:16 PST)
- Marko Wehle (Thu Mar 07 2013 - 10:44:28 PST)
[AMBER] Which memory of GTX580 should I choose in 30, 000-50, 000 atoms system
- Ross Walker (Fri Mar 22 2013 - 11:14:35 PDT)
- Aron Broom (Thu Mar 21 2013 - 20:32:40 PDT)
- Mu Xia (Thu Mar 21 2013 - 20:24:55 PDT)
[AMBER] why no periodic information?
- Brian Radak (Tue Mar 19 2013 - 10:11:13 PDT)
- Albert (Tue Mar 19 2013 - 07:48:29 PDT)
- Kshatresh Dutta Dubey (Tue Mar 19 2013 - 07:21:10 PDT)
- Albert (Tue Mar 19 2013 - 07:00:52 PDT)
[AMBER] Wrong Annotation of PREPIN generated by RESIDUEGEN
- kurisaki (Tue Mar 05 2013 - 01:42:02 PST)
[AMBER] xleap_the hydrogen atom in C-terminus of peptides
- FyD (Wed Mar 06 2013 - 22:54:45 PST)
- David A Case (Wed Mar 06 2013 - 17:53:46 PST)
- Nan Li (Wed Mar 06 2013 - 11:02:14 PST)
problem in calculating electrostatic potential using PBSA
- N Nandi (Thu Mar 07 2013 - 20:56:53 PST)

Amber Archive Mar 2013 by subject