Amber Archive Apr 2014: by subject

[AMBER-Developers] AMBER Workshop Announcement
- Ross Walker (Thu Apr 17 2014 - 08:47:35 PDT)
[AMBER] About Clustering
- arundhati dutta (Thu Apr 24 2014 - 15:05:10 PDT)
[AMBER] About the error "Unable to correctly identify element CU" in QMMM simulation
- Jason Swails (Tue Apr 08 2014 - 04:29:14 PDT)
- Yeng-Tseng Wang (Mon Apr 07 2014 - 20:43:54 PDT)
[AMBER] Accelerated MD
- Vlad Cojocaru (Mon Apr 28 2014 - 15:06:07 PDT)
- Thomas Evangelidis (Mon Apr 28 2014 - 14:42:16 PDT)
- Vlad Cojocaru (Sun Apr 27 2014 - 22:15:35 PDT)
- Daniel Roe (Sun Apr 27 2014 - 17:26:08 PDT)
- Thomas Evangelidis (Sun Apr 27 2014 - 16:26:29 PDT)
- Vlad Cojocaru (Sun Apr 27 2014 - 14:50:59 PDT)
- Jeff Wereszczynski (Sun Apr 27 2014 - 12:16:34 PDT)
- Vlad Cojocaru (Sun Apr 27 2014 - 07:26:39 PDT)
- Jason Swails (Sun Apr 27 2014 - 07:01:31 PDT)
- Sourav Purohit (Sun Apr 27 2014 - 04:01:08 PDT)
- Sourav Purohit (Sat Apr 26 2014 - 04:18:19 PDT)
- Sourav Purohit (Mon Apr 21 2014 - 02:34:29 PDT)
[AMBER] AMBER Digest, Vol 818, Issue 1
- jinfenghuang (Thu Apr 10 2014 - 19:18:48 PDT)
[AMBER] AMBER minimization problem
- Nitin Sharma (Thu Apr 24 2014 - 08:38:57 PDT)
- Valentina Romano (Thu Apr 24 2014 - 07:58:12 PDT)
- Jason Swails (Thu Apr 24 2014 - 07:47:14 PDT)
- Valentina Romano (Thu Apr 24 2014 - 06:52:03 PDT)
- David A Case (Thu Apr 24 2014 - 05:00:56 PDT)
- Valentina Romano (Thu Apr 24 2014 - 01:22:29 PDT)
- David A Case (Wed Apr 23 2014 - 10:27:07 PDT)
- Valentina Romano (Wed Apr 23 2014 - 09:11:54 PDT)
[AMBER] AMBER Workshop Announcement
- Setyanto Md (Mon Apr 28 2014 - 20:02:23 PDT)
- Ross Walker (Mon Apr 21 2014 - 08:03:07 PDT)
- Setyanto Md (Mon Apr 21 2014 - 01:15:54 PDT)
- Ross Walker (Sat Apr 19 2014 - 10:51:41 PDT)
- Ved Prakash (Fri Apr 18 2014 - 21:34:50 PDT)
- Ross Walker (Thu Apr 17 2014 - 09:26:43 PDT)
[AMBER] Announcement: Release of Amber14 and AmberTools14
- David A Case (Tue Apr 15 2014 - 13:35:18 PDT)
[AMBER] antechamber
- Lara rajam (Thu Apr 10 2014 - 11:07:31 PDT)
- David A Case (Thu Apr 10 2014 - 09:34:38 PDT)
- Lara rajam (Thu Apr 10 2014 - 06:39:41 PDT)
- Lara rajam (Tue Apr 08 2014 - 07:57:40 PDT)
- Jason Swails (Mon Apr 07 2014 - 15:00:15 PDT)
- Lara rajam (Mon Apr 07 2014 - 13:24:34 PDT)
- David A Case (Mon Apr 07 2014 - 12:12:13 PDT)
- Lara rajam (Mon Apr 07 2014 - 10:08:13 PDT)
- David A Case (Thu Apr 03 2014 - 09:26:56 PDT)
- Lara rajam (Thu Apr 03 2014 - 08:29:13 PDT)
[AMBER] antechamber problem
- Carlos Romero (Wed Apr 23 2014 - 09:23:36 PDT)
- FyD (Tue Apr 22 2014 - 23:37:58 PDT)
- Carlos Romero (Tue Apr 22 2014 - 11:23:22 PDT)
- JAIME RUBIO MARTINEZ (Tue Apr 22 2014 - 11:18:15 PDT)
- David A Case (Tue Apr 22 2014 - 11:05:34 PDT)
- Carlos Romero (Tue Apr 22 2014 - 10:17:52 PDT)
- JAIME RUBIO MARTINEZ (Tue Apr 22 2014 - 01:33:21 PDT)
- Carlos Romero (Mon Apr 21 2014 - 21:51:02 PDT)
[AMBER] antechamber_error
- Lara rajam (Thu Apr 03 2014 - 08:38:19 PDT)
[AMBER] Asking about using Vector Analysis: Thermo
- Setyanto Md (Fri Apr 11 2014 - 02:13:14 PDT)
- David A Case (Tue Apr 08 2014 - 09:08:44 PDT)
- Setyanto Md (Tue Apr 08 2014 - 07:38:49 PDT)
- Daniel Roe (Thu Apr 03 2014 - 07:31:21 PDT)
- David A Case (Thu Apr 03 2014 - 04:41:13 PDT)
- Setyanto Md (Wed Apr 02 2014 - 22:35:44 PDT)
- Setyanto Md (Wed Apr 02 2014 - 20:10:26 PDT)
[AMBER] ATOMIC NUMBER section in prmtop file - Sustiva example
- ye renlo (Sat Apr 05 2014 - 07:39:38 PDT)
[AMBER] ATOMIC NUMBER section in prmtop file - Sustiva example:potential bug
- David A Case (Sat Apr 05 2014 - 10:59:34 PDT)
- ye renlo (Sat Apr 05 2014 - 08:56:32 PDT)
[AMBER] average problem........
- Daniel Roe (Fri Apr 25 2014 - 06:53:11 PDT)
- 전선희 (Thu Apr 24 2014 - 21:11:01 PDT)
[AMBER] averaged NMR distance
- Daniel Roe (Mon Apr 07 2014 - 07:49:45 PDT)
- David A Case (Mon Apr 07 2014 - 04:52:05 PDT)
- Neha Gandhi (Sun Apr 06 2014 - 20:00:01 PDT)
[AMBER] Bad atom type: C0
- Jason Swails (Fri Apr 04 2014 - 16:26:31 PDT)
- Jason Swails (Fri Apr 04 2014 - 16:25:54 PDT)
- Manikanthan Bhavaraju (Fri Apr 04 2014 - 14:55:45 PDT)
- Bill Ross (Fri Apr 04 2014 - 12:00:29 PDT)
- Jason Swails (Fri Apr 04 2014 - 10:25:59 PDT)
- Mani Bhavaraju (Fri Apr 04 2014 - 09:04:54 PDT)
- Manikanthan Bhavaraju (Fri Apr 04 2014 - 07:32:21 PDT)
[AMBER] Calculation of charges, force constanst, bonds, angles of a ligand using antechamber and gaussian
- FyD (Sat Apr 26 2014 - 06:46:33 PDT)
- Ahmet Yıldırım (Sat Apr 26 2014 - 05:22:51 PDT)
- FyD (Sat Apr 26 2014 - 04:31:12 PDT)
- Ahmet yıldırım (Fri Apr 25 2014 - 23:57:41 PDT)
- Karl Kirschner (Fri Apr 25 2014 - 01:26:08 PDT)
- Ahmet yıldırım (Fri Apr 25 2014 - 01:07:26 PDT)
[AMBER] Can I do PCA on simply a particular domain of the whole protein?
- Daniel Roe (Mon Apr 21 2014 - 07:34:15 PDT)
- Yip Yew Mun (Sat Apr 19 2014 - 21:38:11 PDT)
[AMBER] Combining trajectories with velocities
- Daniel Roe (Sat Apr 19 2014 - 15:57:44 PDT)
- Eugene Yedvabny (Sat Apr 19 2014 - 15:43:02 PDT)
- Daniel Roe (Sat Apr 19 2014 - 14:59:01 PDT)
- Eugene Yedvabny (Sat Apr 19 2014 - 11:01:29 PDT)
[AMBER] comparing RDF plots
- newamber list (Wed Apr 09 2014 - 13:34:28 PDT)
- Daniel Roe (Wed Apr 09 2014 - 12:20:15 PDT)
- newamber list (Wed Apr 09 2014 - 10:15:07 PDT)
- Daniel Roe (Wed Apr 09 2014 - 07:22:01 PDT)
- Jio M (Tue Apr 08 2014 - 19:38:33 PDT)
- Jio M (Tue Apr 08 2014 - 19:12:17 PDT)
[AMBER] coordinates for replicating truncated octahedron
- Jio M (Wed Apr 02 2014 - 13:51:45 PDT)
[AMBER] Corresponding dry trajectory and PDB
- Soumendranath Bhakat (Thu Apr 24 2014 - 05:22:23 PDT)
- Jason Swails (Thu Apr 24 2014 - 04:32:01 PDT)
- Soumendranath Bhakat (Thu Apr 24 2014 - 03:45:21 PDT)
[AMBER] Corresponding PDB and snapshot PDB
- Daniel Roe (Sun Apr 27 2014 - 12:59:49 PDT)
- Jason Swails (Sun Apr 27 2014 - 06:50:37 PDT)
- David A Case (Sun Apr 27 2014 - 05:33:50 PDT)
- Soumendranath Bhakat (Sun Apr 27 2014 - 05:00:50 PDT)
[AMBER] could not extend the MD simulation
- Jason Swails (Thu Apr 24 2014 - 05:44:01 PDT)
- sunita.tifrh.res.in (Thu Apr 24 2014 - 05:18:59 PDT)
[AMBER] diferent results
- Marc van der Kamp (Tue Apr 22 2014 - 08:10:49 PDT)
- Christopher A Thiebaut (Tue Apr 22 2014 - 08:03:43 PDT)
- zahra khatti (Tue Apr 22 2014 - 07:55:25 PDT)
[AMBER] Distance constraints
- Sajeewa Pemasinghe (Wed Apr 02 2014 - 07:40:01 PDT)
- Sajeewa Pemasinghe (Wed Apr 02 2014 - 06:53:53 PDT)
- Jason Swails (Wed Apr 02 2014 - 06:45:17 PDT)
- Urszula Uciechowska (Wed Apr 02 2014 - 06:33:23 PDT)
[AMBER] distance in one plane
- Jio M (Thu Apr 03 2014 - 13:33:36 PDT)
- Daniel Roe (Thu Apr 03 2014 - 13:08:51 PDT)
- Jio M (Thu Apr 03 2014 - 12:35:37 PDT)
[AMBER] distance restraint
- David A Case (Mon Apr 14 2014 - 05:05:46 PDT)
- Jason Swails (Mon Apr 14 2014 - 05:04:06 PDT)
- Urszula Uciechowska (Mon Apr 14 2014 - 00:51:42 PDT)
[AMBER] distance restraints
- Jason Swails (Thu Apr 24 2014 - 04:29:08 PDT)
- Neha Gandhi (Thu Apr 24 2014 - 03:04:32 PDT)
[AMBER] entropy calculation mmpbsa_nm
- Jason Swails (Mon Apr 07 2014 - 05:07:51 PDT)
- Arunima Shilpi (Mon Apr 07 2014 - 04:35:15 PDT)
[AMBER] error in input file /nmropt=1
- Asaminew Haile (Wed Apr 09 2014 - 03:46:27 PDT)
- Urszula Uciechowska (Wed Apr 09 2014 - 01:22:57 PDT)
- Urszula Uciechowska (Wed Apr 09 2014 - 00:22:03 PDT)
- David A Case (Tue Apr 08 2014 - 09:02:30 PDT)
- Brian Radak (Tue Apr 08 2014 - 06:49:49 PDT)
- Asaminew Haile (Tue Apr 08 2014 - 06:03:31 PDT)
- Urszula Uciechowska (Tue Apr 08 2014 - 05:57:58 PDT)
[AMBER] error in input file /nmropt=1 with dist.RST
- Urszula Uciechowska (Tue Apr 08 2014 - 06:31:41 PDT)
- Urszula Uciechowska (Tue Apr 08 2014 - 06:12:56 PDT)
[AMBER] error in loading protein
- Soumendranath Bhakat (Tue Apr 08 2014 - 00:20:18 PDT)
- Arunima Shilpi (Mon Apr 07 2014 - 23:05:11 PDT)
[AMBER] error in reading protein file
- Jason Swails (Tue Apr 08 2014 - 04:42:09 PDT)
- Arunima Shilpi (Mon Apr 07 2014 - 22:58:18 PDT)
[AMBER] error in running entropy
- Jason Swails (Sat Apr 19 2014 - 23:19:11 PDT)
- Arunima Shilpi (Sat Apr 19 2014 - 21:55:36 PDT)
[AMBER] Error using MMPBSA.py
- Jason Swails (Fri Apr 04 2014 - 04:35:01 PDT)
- Souvik Sur (Fri Apr 04 2014 - 03:00:04 PDT)
[AMBER] Error when runing sietraj for AMBER trajectory
- Shulin Zhuang (Thu Apr 10 2014 - 22:41:49 PDT)
- Shulin Zhuang (Thu Apr 10 2014 - 22:34:14 PDT)
[AMBER] Error with quasi-harmonic MMPBSA.py calculations
- Daniel Roe (Tue Apr 22 2014 - 17:10:49 PDT)
- Kipp Johnson (Tue Apr 22 2014 - 16:21:42 PDT)
[AMBER] Error: Could not parse mask [(:1]: radial calculation
- Jio M (Thu Apr 03 2014 - 17:44:15 PDT)
- Daniel Roe (Thu Apr 03 2014 - 15:48:11 PDT)
- Jason Swails (Thu Apr 03 2014 - 15:27:42 PDT)
- Jio M (Thu Apr 03 2014 - 14:57:31 PDT)
[AMBER] Error: invalid argument launching kernel kNLGenerateSpatialHash
- ASFARINA AMIR HASSAN (Sun Apr 27 2014 - 22:51:54 PDT)
- Jason Swails (Thu Apr 24 2014 - 04:26:33 PDT)
- ASFARINA AMIR HASSAN (Thu Apr 24 2014 - 02:01:44 PDT)
[AMBER] Extract velocity from the restart file
- Jason Swails (Wed Apr 30 2014 - 08:32:54 PDT)
- Yin, Guowei (Wed Apr 30 2014 - 08:14:28 PDT)
- David A Case (Tue Apr 29 2014 - 17:54:30 PDT)
- Yin, Guowei (Tue Apr 29 2014 - 14:03:42 PDT)
[AMBER] FFTW3 related error when compiling AmberTools13 on Fedora20
- Soren Wacker (Thu Apr 24 2014 - 10:37:02 PDT)
- Jason Swails (Wed Apr 23 2014 - 19:02:27 PDT)
- Soren Wacker (Wed Apr 23 2014 - 16:24:17 PDT)
- Jason Swails (Wed Apr 23 2014 - 14:27:50 PDT)
- Soren Wacker (Wed Apr 23 2014 - 13:51:31 PDT)
[AMBER] Fwd: Bad atom type: C0
- Manikanthan Bhavaraju (Fri Apr 04 2014 - 08:27:43 PDT)
- manikanthan bhavaraju (Fri Apr 04 2014 - 07:52:23 PDT)
[AMBER] Fwd: MMPBSA
- Sourav Purohit (Sun Apr 13 2014 - 12:15:32 PDT)
- Sourav Purohit (Sun Apr 13 2014 - 03:20:21 PDT)
[AMBER] Fwd: MMPBSA query
- Soumendranath Bhakat (Fri Apr 25 2014 - 00:04:29 PDT)
[AMBER] Fwd: MMPBSA.py PrmtopError: Complex natom != receptor natom + ligand natom
- Jason Swails (Wed Apr 09 2014 - 03:23:59 PDT)
- Javier Alejandro Rendon Carrillo (Tue Apr 08 2014 - 20:47:14 PDT)
[AMBER] Fwd: Parameters for Ca+2 ion for the decomposition analysis
- Manikanthan Bhavaraju (Thu Apr 03 2014 - 12:55:46 PDT)
[AMBER] Generate a pdb with unique atom names
- FyD (Tue Apr 15 2014 - 07:06:39 PDT)
- Jean-Patrick Francoia (Tue Apr 15 2014 - 06:35:49 PDT)
- FyD (Tue Apr 15 2014 - 05:51:15 PDT)
- Jean-Patrick Francoia (Tue Apr 15 2014 - 00:52:37 PDT)
- FyD (Mon Apr 14 2014 - 22:31:31 PDT)
- Jason Swails (Mon Apr 14 2014 - 12:24:13 PDT)
- FyD (Mon Apr 14 2014 - 12:20:12 PDT)
- Jean-Patrick Francoia (Mon Apr 14 2014 - 11:57:44 PDT)
- Jason Swails (Mon Apr 14 2014 - 06:01:44 PDT)
- Jean-Patrick Francoia (Mon Apr 14 2014 - 05:50:35 PDT)
- Jason Swails (Mon Apr 14 2014 - 05:10:25 PDT)
- Jean-Patrick Francoia (Mon Apr 14 2014 - 00:18:54 PDT)
- FyD (Sun Apr 13 2014 - 22:08:46 PDT)
- Jean-Patrick Francoia (Sun Apr 13 2014 - 15:06:00 PDT)
- Bill Ross (Sun Apr 13 2014 - 13:30:24 PDT)
- Jean-Patrick Francoia (Sun Apr 13 2014 - 12:40:18 PDT)
- Jean-Patrick Francoia (Sun Apr 13 2014 - 12:38:37 PDT)
[AMBER] GPU not being recognised
- Ayesha Fatima (Mon Mar 31 2014 - 09:52:05 PDT)
[AMBER] GTX780Ti consistent error "cudaMemcpy GpuBuffer::Download failed unspecified launch failure."
- filip fratev (Thu Apr 17 2014 - 09:14:31 PDT)
- Ross Walker (Wed Apr 16 2014 - 10:27:45 PDT)
- Keiran Rowell (Tue Apr 15 2014 - 23:14:58 PDT)
[AMBER] Hofmeister Effects
- Brown, Kyle (Fri Apr 25 2014 - 09:47:38 PDT)
[AMBER] How to extract each frame of a trajectory as individual .mdcrd files?
- Jason Swails (Wed Apr 30 2014 - 08:55:26 PDT)
- Yip Yew Mun (Wed Apr 30 2014 - 08:45:30 PDT)
- Brian Radak (Wed Apr 30 2014 - 06:43:51 PDT)
- Yip Yew Mun (Wed Apr 30 2014 - 06:28:48 PDT)
[AMBER] how to protonate phosphate groups of nucleotides
- Valentina D'Atri (Wed Apr 30 2014 - 10:13:32 PDT)
[AMBER] How to update cpptraj and setting donor/acceptormask
- Setyanto Md (Tue Apr 01 2014 - 20:03:00 PDT)
[AMBER] How to use "divergence" command
- Daniel Roe (Fri Apr 18 2014 - 13:05:56 PDT)
- Jason Swails (Fri Apr 18 2014 - 11:02:44 PDT)
- Mahendra B Thapa (Fri Apr 18 2014 - 09:53:08 PDT)
[AMBER] How to use Divalent ion parameters in tleap
- mish (Mon Apr 28 2014 - 00:27:27 PDT)
- Jason Swails (Fri Apr 25 2014 - 08:15:26 PDT)
- Pengfei Li (Fri Apr 25 2014 - 08:12:32 PDT)
- Pengfei Li (Fri Apr 25 2014 - 08:08:56 PDT)
- mish (Fri Apr 25 2014 - 07:40:23 PDT)
[AMBER] I make box with solvatebox complex TIP3PBOX 15.0 and unfilled gap remains near wall
- Jason Swails (Wed Apr 09 2014 - 10:29:52 PDT)
- Christopher A Thiebaut (Wed Apr 09 2014 - 10:13:00 PDT)
- David A Case (Wed Apr 09 2014 - 05:59:57 PDT)
- Vytautas Rakeviius (Wed Apr 09 2014 - 05:39:12 PDT)
[AMBER] igb=1
- Carlos Simmerling (Fri Apr 04 2014 - 04:40:38 PDT)
- Jason Swails (Fri Apr 04 2014 - 04:30:08 PDT)
- Urszula Uciechowska (Fri Apr 04 2014 - 03:47:39 PDT)
[AMBER] Inconsistent results of MMPBSA.py with option inp=1 and inp=2
- Ray Luo, Ph.D. (Fri Apr 04 2014 - 09:29:49 PDT)
- tong (Fri Apr 04 2014 - 07:57:04 PDT)
[AMBER] installation error
- zahra khatti (Fri Apr 25 2014 - 00:38:17 PDT)
- David A Case (Thu Apr 24 2014 - 11:37:20 PDT)
- zahra khatti (Thu Apr 24 2014 - 08:50:04 PDT)
[AMBER] Karplus J-coupling
- David A Case (Tue Apr 08 2014 - 05:24:27 PDT)
- Neha Gandhi (Tue Apr 08 2014 - 02:32:39 PDT)
[AMBER] KShake problem with GPU
- Scott Le Grand (Wed Apr 09 2014 - 08:01:54 PDT)
- Lorenzo Gontrani (Wed Apr 09 2014 - 08:00:31 PDT)
- Daniel Roe (Wed Apr 09 2014 - 07:11:15 PDT)
- Lorenzo Gontrani (Wed Apr 09 2014 - 07:05:33 PDT)
[AMBER] leap error
- Jason Swails (Fri Apr 04 2014 - 04:59:08 PDT)
- sammia khatak (Thu Apr 03 2014 - 21:40:39 PDT)
- sammia khatak (Thu Apr 03 2014 - 10:18:17 PDT)
- Daniel Roe (Thu Apr 03 2014 - 09:06:06 PDT)
- sammia khatak (Thu Apr 03 2014 - 09:02:29 PDT)
- Daniel Roe (Thu Apr 03 2014 - 08:58:42 PDT)
- Jason Swails (Thu Apr 03 2014 - 08:57:22 PDT)
- sammia khatak (Thu Apr 03 2014 - 08:49:09 PDT)
[AMBER] ligand residue interaction
- Arunima Shilpi (Sat Apr 05 2014 - 20:37:53 PDT)
- Arunima Shilpi (Sat Apr 05 2014 - 20:00:39 PDT)
[AMBER] Ligand-residue interaction plot
- Soumendranath Bhakat (Sat Apr 05 2014 - 08:59:45 PDT)
- Jason Swails (Sat Apr 05 2014 - 05:39:31 PDT)
- Arunima Shilpi (Sat Apr 05 2014 - 04:39:54 PDT)
- Soumendranath Bhakat (Sat Apr 05 2014 - 03:27:53 PDT)
- Arunima Shilpi (Sat Apr 05 2014 - 00:08:37 PDT)
[AMBER] LIPID14 force field for DPPC gel phase simulation
- Him Shweta (Fri Apr 25 2014 - 00:52:14 PDT)
[AMBER] loading multiple prepin file in xleap - gives warning
- Jason Swails (Wed Apr 02 2014 - 04:50:56 PDT)
- Vijay Manickam Achari (Wed Apr 02 2014 - 02:57:31 PDT)
[AMBER] Mailing list problems
- David A Case (Fri Apr 11 2014 - 08:02:26 PDT)
[AMBER] making test not successful in ambertool14
- David A Case (Thu Apr 17 2014 - 09:44:27 PDT)
- Brian Radak (Thu Apr 17 2014 - 06:24:42 PDT)
- Mahendra B Thapa (Thu Apr 17 2014 - 05:55:05 PDT)
[AMBER] MD run
- Lara rajam (Fri Apr 25 2014 - 08:23:33 PDT)
- Jason Swails (Fri Apr 25 2014 - 08:11:44 PDT)
- Lara rajam (Fri Apr 25 2014 - 07:32:58 PDT)
[AMBER] Minimization with (0, 0, 0) coordinates
- Jean-Patrick Francoia (Tue Apr 29 2014 - 08:44:09 PDT)
- Daniel Roe (Tue Apr 29 2014 - 08:30:08 PDT)
- Robert Molt (Tue Apr 29 2014 - 08:24:10 PDT)
- Jean-Patrick Francoia (Tue Apr 29 2014 - 08:19:45 PDT)
[AMBER] Minimization with restraints
- Valentina Romano (Wed Apr 30 2014 - 05:45:24 PDT)
- Jason Swails (Wed Apr 30 2014 - 04:51:44 PDT)
- Valentina Romano (Wed Apr 30 2014 - 02:42:02 PDT)
[AMBER] MM-PBSA for two drug molecules
- Fabian Glaser (Tue Apr 29 2014 - 23:41:28 PDT)
- Fabian Glaser (Sun Apr 27 2014 - 21:38:11 PDT)
- wmsmith.uci.edu (Fri Apr 25 2014 - 18:09:38 PDT)
- Gustavo Seabra (Fri Apr 25 2014 - 13:27:27 PDT)
- David A Case (Thu Apr 24 2014 - 06:29:54 PDT)
- Ilyas Yildirim (Thu Apr 24 2014 - 06:12:35 PDT)
- Fabian Glaser (Thu Apr 24 2014 - 05:34:24 PDT)
- Ayesha Fatima (Thu Apr 24 2014 - 05:18:18 PDT)
- David A Case (Thu Apr 24 2014 - 05:07:49 PDT)
- Fabian Glaser (Thu Apr 24 2014 - 04:48:05 PDT)
- Jason Swails (Thu Apr 24 2014 - 04:38:45 PDT)
- Fabian Glaser (Thu Apr 24 2014 - 03:46:58 PDT)
[AMBER] MMPBSA
- Mary Varughese (Mon Apr 21 2014 - 22:00:53 PDT)
- Jason Swails (Mon Apr 14 2014 - 04:56:57 PDT)
- Sourav Purohit (Sun Apr 13 2014 - 23:35:29 PDT)
- Sourav Purohit (Sun Apr 13 2014 - 12:04:53 PDT)
- Jason Swails (Sun Apr 13 2014 - 08:20:52 PDT)
- Sourav Purohit (Sun Apr 13 2014 - 07:09:44 PDT)
- Sourav Purohit (Sun Apr 13 2014 - 02:39:17 PDT)
[AMBER] MMPBSA calculation with entropy
- Jason Swails (Wed Apr 02 2014 - 04:44:43 PDT)
- Arun Kumar Somavarapu (Wed Apr 02 2014 - 02:11:07 PDT)
[AMBER] MMPBSA error
- Nitin Sharma (Thu Apr 24 2014 - 07:52:15 PDT)
- Jason Swails (Thu Apr 24 2014 - 07:30:40 PDT)
- Nitin Sharma (Thu Apr 24 2014 - 07:05:47 PDT)
[AMBER] MMPBSA query
- Jason Swails (Fri Apr 25 2014 - 04:25:41 PDT)
- Jason Swails (Fri Apr 25 2014 - 04:18:38 PDT)
- Soumendranath Bhakat (Thu Apr 24 2014 - 23:53:12 PDT)
- Arunima Shilpi (Thu Apr 24 2014 - 23:07:32 PDT)
[AMBER] MMPBSA.py PrmtopError: Complex natom != receptor natom + ligand natom
- Javier Alejandro Rendon Carrillo (Tue Apr 08 2014 - 21:54:12 PDT)
[AMBER] modified residues
- Ilyas Yildirim (Thu Apr 24 2014 - 06:00:06 PDT)
- David A Case (Thu Apr 24 2014 - 04:56:05 PDT)
- FyD (Wed Apr 23 2014 - 23:27:48 PDT)
- Lara rajam (Wed Apr 23 2014 - 23:03:43 PDT)
- FyD (Wed Apr 23 2014 - 22:45:57 PDT)
- Lara rajam (Wed Apr 23 2014 - 22:16:10 PDT)
- FyD (Wed Apr 23 2014 - 21:38:26 PDT)
- Lara rajam (Wed Apr 23 2014 - 20:32:45 PDT)
[AMBER] Native Contact Help
- Daniel Roe (Mon Apr 28 2014 - 12:28:18 PDT)
- Daniel Roe (Mon Apr 28 2014 - 12:22:56 PDT)
- Daniel Roe (Sat Apr 26 2014 - 09:44:45 PDT)
- kara tuong vi ngo (Thu Apr 24 2014 - 16:48:31 PDT)
- Daniel Roe (Tue Apr 22 2014 - 08:18:12 PDT)
- kara tuong vi (Mon Apr 21 2014 - 22:59:38 PDT)
[AMBER] negative dihedral energy with ff14ipq
- Jason Swails (Mon Apr 28 2014 - 05:13:13 PDT)
- Thomas Evangelidis (Mon Apr 28 2014 - 05:05:08 PDT)
- David A Case (Mon Apr 28 2014 - 04:39:01 PDT)
- Thomas Evangelidis (Mon Apr 28 2014 - 02:17:12 PDT)
- Jason Swails (Sun Apr 27 2014 - 14:34:46 PDT)
- Thomas Evangelidis (Sun Apr 27 2014 - 12:42:50 PDT)
[AMBER] new error
- de Waal, Parker (Fri Apr 04 2014 - 06:28:41 PDT)
- sammia khatak (Fri Apr 04 2014 - 06:26:17 PDT)
- de Waal, Parker (Fri Apr 04 2014 - 05:58:39 PDT)
- Jason Swails (Fri Apr 04 2014 - 05:53:45 PDT)
- sammia khatak (Fri Apr 04 2014 - 05:21:33 PDT)
[AMBER] Nonbond Energy for Single Water Molecule ?
- Jason Swails (Wed Apr 16 2014 - 08:10:18 PDT)
- Jinfeng Huang (Tue Apr 15 2014 - 21:11:25 PDT)
- Jason Swails (Mon Apr 14 2014 - 08:37:58 PDT)
- Brian Radak (Mon Apr 14 2014 - 08:08:41 PDT)
- 黄 (Mon Apr 14 2014 - 07:59:20 PDT)
[AMBER] Normal mode for truncated system
- Ahmed Ayoub (Wed Apr 02 2014 - 11:45:19 PDT)
[AMBER] number of ions (integral) too much in RDF plot
- newamber list (Wed Apr 09 2014 - 10:52:40 PDT)
- newamber list (Wed Apr 09 2014 - 10:17:36 PDT)
- Daniel Roe (Wed Apr 09 2014 - 07:28:19 PDT)
- Jio M (Tue Apr 08 2014 - 05:44:35 PDT)
- Jio M (Mon Apr 07 2014 - 19:33:01 PDT)
[AMBER] OpenMP and MKL
- Daniel Roe (Thu Apr 24 2014 - 07:15:35 PDT)
- Jason Swails (Wed Apr 23 2014 - 19:29:34 PDT)
- Eugene Yedvabny (Wed Apr 23 2014 - 16:21:23 PDT)
[AMBER] Parameters for Ca+2 ion for the decomposition analysis
- Manikanthan Bhavaraju (Thu Apr 03 2014 - 12:22:01 PDT)
[AMBER] PCA analysis
- Daniel Roe (Tue Apr 29 2014 - 09:05:39 PDT)
- Andre C. Stiel (Tue Apr 29 2014 - 08:55:22 PDT)
- Ibrahim Said (Tue Apr 29 2014 - 08:40:05 PDT)
[AMBER] PCA analysis and histogram
- Daniel Roe (Mon Apr 21 2014 - 07:30:14 PDT)
- Setyanto Md (Mon Apr 21 2014 - 01:19:51 PDT)
- Daniel Roe (Mon Apr 14 2014 - 08:20:46 PDT)
- Neha Gandhi (Mon Apr 14 2014 - 04:45:42 PDT)
[AMBER] pmemd.cuda error amber14
- Jason Swails (Mon Apr 28 2014 - 09:34:43 PDT)
- Pierpaolo Cacciotto (Mon Apr 28 2014 - 09:05:09 PDT)
[AMBER] pmemd.cuda.mpi installation
- David A Case (Sun Apr 06 2014 - 10:55:19 PDT)
- Cenk \(Jenk\) Andac (Sun Apr 06 2014 - 10:47:04 PDT)
- Jason Swails (Thu Apr 03 2014 - 12:03:50 PDT)
- Cenk \(Jenk\) Andac (Thu Apr 03 2014 - 11:47:33 PDT)
- Jason Swails (Thu Apr 03 2014 - 11:05:24 PDT)
- Cenk \(Jenk\) Andac (Thu Apr 03 2014 - 10:28:34 PDT)
- Cenk \(Jenk\) Andac (Thu Apr 03 2014 - 09:29:01 PDT)
- Cenk \(Jenk\) Andac (Thu Apr 03 2014 - 09:03:27 PDT)
[AMBER] positive value of delta G in MMPBSA calculation
- Vlad Cojocaru (Thu Apr 24 2014 - 04:36:24 PDT)
- Jason Swails (Thu Apr 24 2014 - 04:19:25 PDT)
- Arunima Shilpi (Wed Apr 23 2014 - 20:08:09 PDT)
[AMBER] Possible bug in xleap
- Bill Ross (Tue Apr 01 2014 - 16:44:23 PDT)
[AMBER] Principal component analysis
- Daniel Roe (Sat Apr 05 2014 - 08:02:07 PDT)
- Soumendranath Bhakat (Sat Apr 05 2014 - 03:30:40 PDT)
- Ibrahim Said (Fri Apr 04 2014 - 13:19:45 PDT)
[AMBER] problem with installation amber12 and ambertools13 in ubuntu
- zahra khatti (Sat Apr 26 2014 - 12:04:46 PDT)
- Daniel Roe (Sat Apr 26 2014 - 09:28:50 PDT)
- David A Case (Sat Apr 26 2014 - 06:13:48 PDT)
- zahra khatti (Fri Apr 25 2014 - 21:18:31 PDT)
- zahra khatti (Fri Apr 25 2014 - 11:21:42 PDT)
[AMBER] Problems during installation of amber-14 with cuda-5 on GTX 670
- Jason Swails (Wed Apr 30 2014 - 04:22:46 PDT)
- James Starlight (Tue Apr 29 2014 - 22:58:12 PDT)
- James Starlight (Mon Apr 28 2014 - 23:20:34 PDT)
- Jason Swails (Mon Apr 28 2014 - 04:54:41 PDT)
- Jason Swails (Mon Apr 28 2014 - 04:44:45 PDT)
- David A Case (Mon Apr 28 2014 - 04:36:50 PDT)
- James Starlight (Mon Apr 28 2014 - 00:17:45 PDT)
- James Starlight (Sun Apr 27 2014 - 23:58:58 PDT)
- Jason Swails (Sat Apr 26 2014 - 07:24:44 PDT)
- James Starlight (Sat Apr 26 2014 - 07:12:03 PDT)
- Jason Swails (Sat Apr 26 2014 - 05:48:25 PDT)
- James Starlight (Sat Apr 26 2014 - 05:35:28 PDT)
- Jason Swails (Sat Apr 26 2014 - 05:26:08 PDT)
- James Starlight (Sat Apr 26 2014 - 05:12:41 PDT)
- Jason Swails (Fri Apr 25 2014 - 08:10:25 PDT)
- James Starlight (Fri Apr 25 2014 - 07:17:19 PDT)
- Jason Swails (Fri Apr 25 2014 - 04:10:38 PDT)
- James Starlight (Fri Apr 25 2014 - 00:55:19 PDT)
- James Starlight (Fri Apr 25 2014 - 00:27:47 PDT)
- Jason Swails (Wed Apr 23 2014 - 04:18:49 PDT)
- James Starlight (Wed Apr 23 2014 - 00:57:13 PDT)
- James Starlight (Wed Apr 23 2014 - 03:14:20 PDT)
- Daniel Roe (Tue Apr 22 2014 - 07:31:11 PDT)
- Jason Swails (Tue Apr 22 2014 - 04:16:47 PDT)
- James Starlight (Tue Apr 22 2014 - 03:43:26 PDT)
- James Starlight (Tue Apr 22 2014 - 02:49:40 PDT)
- James Starlight (Tue Apr 22 2014 - 01:54:20 PDT)
- Jason Swails (Mon Apr 21 2014 - 07:36:54 PDT)
- James Starlight (Mon Apr 21 2014 - 07:32:12 PDT)
- Jason Swails (Mon Apr 21 2014 - 04:47:33 PDT)
- Jason Swails (Mon Apr 21 2014 - 04:44:24 PDT)
- James Starlight (Mon Apr 21 2014 - 03:37:39 PDT)
- James Starlight (Mon Apr 21 2014 - 02:43:15 PDT)
[AMBER] problems with Amber12 installation - cuda and mpi
- Daniel Roe (Fri Apr 25 2014 - 21:03:45 PDT)
- zottisad (Fri Apr 25 2014 - 20:24:52 PDT)
[AMBER] Problems with the gas energy of H3O+ and H2O
- 黄 (Fri Apr 11 2014 - 07:46:09 PDT)
[AMBER] Protein-ligand interaction
- Soumendranath Bhakat (Sun Apr 06 2014 - 09:09:50 PDT)
- Arunima Shilpi (Sun Apr 06 2014 - 09:05:28 PDT)
- Soumendranath Bhakat (Sun Apr 06 2014 - 04:54:33 PDT)
- Arunima Shilpi (Sat Apr 05 2014 - 21:07:04 PDT)
[AMBER] ptraj in parallel
- Jason Swails (Wed Apr 30 2014 - 10:43:18 PDT)
- zahra khatti (Wed Apr 30 2014 - 08:56:49 PDT)
[AMBER] Quantification of alpha helix
- Suchetana Gupta (Tue Apr 29 2014 - 11:06:02 PDT)
- Carlos Simmerling (Tue Apr 29 2014 - 08:34:46 PDT)
- Suchetana Gupta (Tue Apr 29 2014 - 08:06:56 PDT)
[AMBER] query regarding simulation!
- Pallavi Mohanty (Thu Apr 03 2014 - 23:40:49 PDT)
[AMBER] Query regrading simulation
- Pallavi Mohanty (Fri Apr 04 2014 - 02:02:20 PDT)
- Pallavi Mohanty (Fri Apr 04 2014 - 00:00:27 PDT)
[AMBER] Question about volume when switching from NPT to NVE ensemble
- Quynh Vo (Thu Apr 24 2014 - 12:58:15 PDT)
- David A Case (Thu Apr 24 2014 - 12:31:35 PDT)
- Quynh Vo (Thu Apr 24 2014 - 11:08:08 PDT)
[AMBER] Questions about the energy of H3O+
- Jason Swails (Tue Apr 08 2014 - 08:52:12 PDT)
- jinfenghuang (Tue Apr 08 2014 - 07:26:22 PDT)
[AMBER] rdf averaging problem
- Daniel Roe (Tue Apr 15 2014 - 13:43:13 PDT)
- newamber list (Mon Apr 14 2014 - 20:35:22 PDT)
- Daniel Roe (Mon Apr 14 2014 - 12:12:26 PDT)
- newamber list (Mon Apr 14 2014 - 09:58:11 PDT)
- newamber list (Fri Apr 11 2014 - 16:32:27 PDT)
- Daniel Roe (Fri Apr 11 2014 - 12:57:42 PDT)
- newamber list (Fri Apr 11 2014 - 12:13:29 PDT)
- Daniel Roe (Fri Apr 11 2014 - 11:33:49 PDT)
- newamber list (Thu Apr 10 2014 - 15:08:49 PDT)
[AMBER] Really Weird Problem with Replica Exchange
- Jason Swails (Wed Apr 09 2014 - 11:26:59 PDT)
- Christopher A Thiebaut (Wed Apr 09 2014 - 11:19:32 PDT)
- Jason Swails (Wed Apr 09 2014 - 11:05:40 PDT)
- Jason Swails (Wed Apr 09 2014 - 10:50:32 PDT)
- Carlos Simmerling (Wed Apr 09 2014 - 10:47:23 PDT)
- Jason Swails (Wed Apr 09 2014 - 10:42:35 PDT)
- Christopher A Thiebaut (Wed Apr 09 2014 - 10:36:23 PDT)
- Jason Swails (Wed Apr 09 2014 - 10:37:11 PDT)
- Christopher A Thiebaut (Wed Apr 09 2014 - 10:32:46 PDT)
- Brian Radak (Wed Apr 09 2014 - 10:29:48 PDT)
- Daniel Roe (Wed Apr 09 2014 - 10:27:10 PDT)
- Christopher A Thiebaut (Wed Apr 09 2014 - 10:20:32 PDT)
- Jason Swails (Wed Apr 09 2014 - 10:20:34 PDT)
- Christopher A Thiebaut (Wed Apr 09 2014 - 10:05:06 PDT)
- Christina Bergonzo (Tue Apr 08 2014 - 07:46:33 PDT)
- Christopher A Thiebaut (Mon Apr 07 2014 - 13:21:54 PDT)
- Christina Bergonzo (Mon Apr 07 2014 - 13:08:28 PDT)
- Christopher A Thiebaut (Mon Apr 07 2014 - 13:02:28 PDT)
- Carlos Simmerling (Mon Apr 07 2014 - 12:48:18 PDT)
- Christopher A Thiebaut (Mon Apr 07 2014 - 11:58:26 PDT)
[AMBER] reg: the charges for methylated cytosine atoms
- Filip Lankas (Wed Apr 02 2014 - 02:25:24 PDT)
[AMBER] Regarding Interaction energy calculation
- Jason Swails (Thu Apr 17 2014 - 07:14:12 PDT)
- Jason Swails (Wed Apr 16 2014 - 05:42:31 PDT)
- MOHD HOMAIDUR RAHMAN (Wed Apr 16 2014 - 05:16:20 PDT)
- Jason Swails (Sun Apr 06 2014 - 06:38:36 PDT)
- MOHD HOMAIDUR RAHMAN (Fri Apr 04 2014 - 21:05:35 PDT)
- MOHD HOMAIDUR RAHMAN (Fri Apr 04 2014 - 01:57:49 PDT)
[AMBER] Regarding simulation of alanine molecules in water box
- Jason Swails (Tue Apr 29 2014 - 04:21:33 PDT)
- MOHD HOMAIDUR RAHMAN (Tue Apr 29 2014 - 03:47:33 PDT)
[AMBER] REMD with pmemd.cuda
- Milo Westler (Tue Apr 08 2014 - 09:49:08 PDT)
- Jason Swails (Tue Apr 08 2014 - 07:59:20 PDT)
- Milo Westler (Tue Apr 08 2014 - 07:46:45 PDT)
- Milo Westler (Tue Apr 08 2014 - 07:36:20 PDT)
- Ashutosh Shandilya (Tue Apr 08 2014 - 05:45:09 PDT)
- Jason Swails (Tue Apr 08 2014 - 05:40:55 PDT)
- Ashutosh Shandilya (Tue Apr 08 2014 - 04:54:23 PDT)
- Jason Swails (Tue Apr 08 2014 - 04:45:18 PDT)
- Nhai (Tue Apr 08 2014 - 00:37:29 PDT)
- Milo Westler (Mon Apr 07 2014 - 18:04:52 PDT)
[AMBER] Reminder: AMBER Molecular Dynamics Workshop Barcelona Jun 2-6. Pre-Registration closes Apr 28th.
- Ross Walker (Thu Apr 24 2014 - 11:32:55 PDT)
[AMBER] RESP procedure
- Pengfei Li (Thu Apr 24 2014 - 10:36:35 PDT)
- FyD (Tue Apr 22 2014 - 23:41:20 PDT)
- Ahmet Yıldırım (Mon Apr 21 2014 - 21:13:30 PDT)
- Ved Prakash (Mon Apr 21 2014 - 12:05:31 PDT)
- Ahmet Yıldırım (Mon Apr 21 2014 - 08:51:47 PDT)
[AMBER] rism1d error
- Lists (Mon Apr 14 2014 - 09:37:10 PDT)
- Lists (Sun Apr 13 2014 - 14:52:23 PDT)
- Brian Radak (Fri Apr 11 2014 - 17:19:08 PDT)
[AMBER] Running parallel simulations on different no of cores
- Jason Swails (Sat Apr 19 2014 - 14:48:12 PDT)
- Muthukumaran R (Sat Apr 19 2014 - 10:31:48 PDT)
[AMBER] SDS parameters in AMBER
- ABEL Stephane 175950 (Tue Apr 15 2014 - 05:39:10 PDT)
- ABEL Stephane 175950 (Tue Apr 15 2014 - 05:36:32 PDT)
- Rebeca García Fandiño (Tue Apr 15 2014 - 05:28:58 PDT)
[AMBER] SHAWKTRAJ, a new trajectory analysis tool
- Pengfei Li (Tue Apr 01 2014 - 20:13:53 PDT)
- Bill Ross (Tue Apr 01 2014 - 18:04:43 PDT)
- Jason Swails (Tue Apr 01 2014 - 10:30:23 PDT)
- MOHD HOMAIDUR RAHMAN (Tue Apr 01 2014 - 10:04:29 PDT)
- Marcus Arieno (Tue Apr 01 2014 - 08:52:54 PDT)
- Adrian Roitberg (Tue Apr 01 2014 - 07:02:55 PDT)
- Fabian Glaser (Tue Apr 01 2014 - 04:20:10 PDT)
- Jason Swails (Tue Apr 01 2014 - 04:03:25 PDT)
[AMBER] simulated annelaing condtions and requiremnets
- Jason Swails (Sun Apr 20 2014 - 08:06:24 PDT)
- Nitin Sharma (Sun Apr 20 2014 - 06:47:42 PDT)
[AMBER] simulated annelaing of protein ligand complex
- David A Case (Fri Apr 25 2014 - 12:18:18 PDT)
- Nitin Sharma (Fri Apr 25 2014 - 11:46:17 PDT)
[AMBER] simulating small molecules systems
- Fabian Glaser (Mon Apr 07 2014 - 05:10:59 PDT)
[AMBER] Simulation of protein- cyclic nucleotide complex
- James Starlight (Wed Apr 30 2014 - 06:59:00 PDT)
- Jason Swails (Wed Apr 30 2014 - 04:43:10 PDT)
- James Starlight (Wed Apr 30 2014 - 03:27:55 PDT)
- James Starlight (Tue Apr 29 2014 - 23:53:19 PDT)
- James Starlight (Tue Apr 29 2014 - 23:52:23 PDT)
- James Starlight (Tue Apr 29 2014 - 23:33:49 PDT)
- Jason Swails (Tue Apr 29 2014 - 12:38:50 PDT)
- James Starlight (Tue Apr 29 2014 - 11:48:11 PDT)
- David A Case (Tue Apr 29 2014 - 10:12:38 PDT)
- James Starlight (Tue Apr 29 2014 - 09:54:26 PDT)
- James Starlight (Tue Apr 29 2014 - 08:34:53 PDT)
- David A Case (Tue Apr 29 2014 - 04:54:12 PDT)
- James Starlight (Tue Apr 29 2014 - 02:48:49 PDT)
- de Waal, Parker (Mon Apr 28 2014 - 05:19:55 PDT)
- James Starlight (Mon Apr 28 2014 - 05:02:21 PDT)
[AMBER] small molecules
- Fabian Glaser (Mon Apr 07 2014 - 05:14:14 PDT)
[AMBER] strip some atoms to compute RMSD
- Marlet Martinez (Thu Apr 24 2014 - 08:41:23 PDT)
- Jason Swails (Thu Apr 24 2014 - 04:23:32 PDT)
- Marlet Martinez (Thu Apr 24 2014 - 01:57:15 PDT)
- Asaminew Haile (Tue Apr 22 2014 - 08:50:47 PDT)
- Nitin Sharma (Tue Apr 22 2014 - 08:47:26 PDT)
- Marlet Martinez (Tue Apr 22 2014 - 08:43:23 PDT)
- Daniel Roe (Tue Apr 22 2014 - 07:10:32 PDT)
- Asaminew Haile (Tue Apr 22 2014 - 05:12:19 PDT)
- Marlet Martinez (Tue Apr 22 2014 - 04:56:40 PDT)
[AMBER] temperature increments
- David A Case (Thu Apr 24 2014 - 04:50:09 PDT)
- newamber list (Wed Apr 23 2014 - 19:30:54 PDT)
[AMBER] truncatiing water molecules
- Bill Ross (Mon Apr 21 2014 - 21:13:08 PDT)
- Nitin Sharma (Wed Apr 02 2014 - 08:38:48 PDT)
- Jason Swails (Wed Apr 02 2014 - 08:21:39 PDT)
- Nitin Sharma (Wed Apr 02 2014 - 07:57:12 PDT)
- Jason Swails (Wed Apr 02 2014 - 06:52:13 PDT)
- Nitin Sharma (Wed Apr 02 2014 - 06:03:13 PDT)
- Jason Swails (Wed Apr 02 2014 - 04:54:15 PDT)
- Nitin Sharma (Wed Apr 02 2014 - 04:36:27 PDT)
[AMBER] Umbrella Slice module
- Jason Swails (Mon Apr 21 2014 - 10:50:51 PDT)
- Geoffrey Gray (Mon Apr 21 2014 - 10:42:29 PDT)
- Jason Swails (Mon Apr 21 2014 - 09:58:19 PDT)
- Geoffrey Gray (Mon Apr 21 2014 - 06:29:16 PDT)
[AMBER] updates for amber12 bugfix18
- Jason Swails (Mon Apr 21 2014 - 05:52:48 PDT)
- Ahmet yıldırım (Mon Apr 21 2014 - 05:43:04 PDT)
- Ahmet yıldırım (Mon Apr 21 2014 - 04:49:29 PDT)
- Jason Swails (Mon Apr 21 2014 - 04:38:06 PDT)
- Ahmet yıldırım (Mon Apr 21 2014 - 03:43:14 PDT)
[AMBER] US+QM/MM enzyme + substrate - howto
- Tamara Meirelles (Mon Apr 07 2014 - 00:26:05 PDT)
[AMBER] velocity information in restart file
- Jason Swails (Mon Apr 28 2014 - 05:16:36 PDT)
- HM (Mon Apr 28 2014 - 04:54:29 PDT)
[AMBER] WHAM Analysis Histograms
- Hamed S. Hayatshahi (Wed Apr 02 2014 - 21:28:41 PDT)
- amr hamed (Tue Apr 01 2014 - 21:33:50 PDT)
[AMBER] When I run the pmemd.cuda, sometimes computer will be rebooted.
- Jason Swails (Tue Apr 08 2014 - 04:35:45 PDT)
- KangMooseok (Mon Apr 07 2014 - 22:34:26 PDT)
[AMBER] When I run the pmemd.cuda, sometimes computer will be rebooted.‏‏
- KangMooseok (Mon Apr 07 2014 - 23:01:45 PDT)
[AMBER] Why do I get an error in antechamber when a metal is involved?
- David A Case (Fri Apr 04 2014 - 12:56:00 PDT)
- CHRISTOPHER PATRICK MCNARY (Fri Apr 04 2014 - 12:24:10 PDT)
- CHRISTOPHER PATRICK MCNARY (Fri Apr 04 2014 - 12:01:43 PDT)
[AMBER] xmin
- Fabiana Caporuscio (Wed Apr 23 2014 - 08:23:23 PDT)
- Jason Swails (Wed Apr 23 2014 - 04:27:03 PDT)
- David A Case (Wed Apr 23 2014 - 04:44:40 PDT)
- Fabiana Caporuscio (Wed Apr 23 2014 - 03:15:18 PDT)
[AMBER] 【AMBER12】Including water when using General Amber Force Field leaprc.gaff
- Jason Swails (Sat Apr 19 2014 - 04:44:10 PDT)
- ABEL Stephane 175950 (Sat Apr 19 2014 - 03:47:50 PDT)
- 石坪江梨花 (Sat Apr 19 2014 - 03:22:48 PDT)
How to use "divergence" command
- Daniel Roe (Mon Apr 21 2014 - 07:24:06 PDT)
- Mahendra B Thapa (Mon Apr 21 2014 - 07:15:43 PDT)
loading multiple prepin file in xleap - gives warning
- Vijay Manickam Achari (Thu Apr 03 2014 - 21:16:11 PDT)
- David A Case (Thu Apr 03 2014 - 04:45:20 PDT)
- Jason Swails (Thu Apr 03 2014 - 04:29:14 PDT)
- Vijay Manickam Achari (Wed Apr 02 2014 - 23:20:16 PDT)
making test not successful in ambertool14
- Mahendra B Thapa (Fri Apr 18 2014 - 05:59:15 PDT)
Problems with the gas energy of H3O+ and H2O
- jinfenghuang (Thu Apr 10 2014 - 20:06:53 PDT)

Amber Archive Apr 2014 by subject