Amber Archive Jul 2014: by subject

[AMBER] !Help!: Normal Mode Analysis
- Jason Swails (Tue Jul 29 2014 - 08:22:03 PDT)
- xy21hb (Tue Jul 29 2014 - 07:56:24 PDT)
[AMBER] about setting nscm
- Jason Swails (Tue Jul 01 2014 - 17:28:51 PDT)
- kirtana S (Tue Jul 01 2014 - 09:27:58 PDT)
[AMBER] Ag+ ion parameters
- Pengfei Li (Fri Jul 11 2014 - 07:41:43 PDT)
- Rebeca García Fandiño (Thu Jul 10 2014 - 01:35:03 PDT)
[AMBER] AMBER
- renatoac.ufpa.br (Wed Jul 30 2014 - 12:15:24 PDT)
[AMBER] Amber12 CUDA problems
- Lorenzo Gontrani (Mon Jul 21 2014 - 07:20:25 PDT)
- Lorenzo Gontrani (Mon Jul 21 2014 - 07:18:36 PDT)
- Ross Walker (Mon Jul 21 2014 - 06:39:04 PDT)
- Lorenzo Gontrani (Mon Jul 21 2014 - 03:45:05 PDT)
[AMBER] AmberTools parallel test experienced errors
- David A Case (Tue Jul 01 2014 - 04:22:22 PDT)
- sunita.tifrh.res.in (Mon Jun 30 2014 - 21:01:27 PDT)
[AMBER] amoeba into ambertools
- Jason Swails (Thu Jul 03 2014 - 12:48:54 PDT)
- Jorgen Simonsen (Thu Jul 03 2014 - 11:35:18 PDT)
[AMBER] AMP Parameters
- FyD (Wed Jul 23 2014 - 01:52:52 PDT)
- cye927.mail.ustc.edu.cn (Tue Jul 22 2014 - 01:40:26 PDT)
[AMBER] atom number same as line number for cpptraj
- newamber list (Wed Jul 23 2014 - 09:30:55 PDT)
- Jason Swails (Wed Jul 23 2014 - 09:03:02 PDT)
- newamber list (Wed Jul 23 2014 - 08:23:42 PDT)
- Daniel Roe (Tue Jul 22 2014 - 19:12:25 PDT)
- Jason Swails (Tue Jul 22 2014 - 19:12:03 PDT)
- newamber list (Tue Jul 22 2014 - 17:02:54 PDT)
[AMBER] atomiccorr: glibc detected *** cpptraj: malloc(): memory corruption:
- Daniel Roe (Tue Jul 08 2014 - 19:46:20 PDT)
- Jason Swails (Tue Jul 08 2014 - 16:06:14 PDT)
- Jason Swails (Tue Jul 08 2014 - 15:05:14 PDT)
- Krisztina Feher (Tue Jul 08 2014 - 14:26:53 PDT)
[AMBER] ATP and Mg2+ parameters
- FyD (Tue Jul 15 2014 - 04:05:20 PDT)
- Valentina Romano (Tue Jul 15 2014 - 03:27:55 PDT)
- Jason Swails (Tue Jul 08 2014 - 08:38:13 PDT)
- FyD (Tue Jul 08 2014 - 08:20:01 PDT)
- Valentina Romano (Tue Jul 08 2014 - 07:54:33 PDT)
- Alessandro Contini (Tue Jul 08 2014 - 03:50:50 PDT)
- Hector A. Baldoni (Tue Jul 08 2014 - 03:50:37 PDT)
- Soumendranath Bhakat (Tue Jul 08 2014 - 03:48:49 PDT)
- Valentina Romano (Tue Jul 08 2014 - 03:41:26 PDT)
[AMBER] ATP parameters: tleap error
- George Patargias (Wed Jul 16 2014 - 23:21:19 PDT)
- Jason Swails (Wed Jul 16 2014 - 09:51:37 PDT)
- Valentina Romano (Wed Jul 16 2014 - 09:41:55 PDT)
[AMBER] Attempting to compile fresh version of Amber 11, bugfixes > 17 won't apply cleanly
- Jason Swails (Wed Jul 02 2014 - 09:47:50 PDT)
- Bob Healey (Wed Jul 02 2014 - 08:22:11 PDT)
[AMBER] autoimage doesn't work
- 肖立 (Wed Jul 09 2014 - 12:38:56 PDT)
- 肖立 (Wed Jul 09 2014 - 12:36:19 PDT)
- Daniel Roe (Wed Jul 09 2014 - 12:09:18 PDT)
- 肖立 (Wed Jul 09 2014 - 12:03:25 PDT)
[AMBER] bash scripting for MD tasks
- Parker de Waal (Mon Jul 21 2014 - 06:32:19 PDT)
- James Starlight (Mon Jul 21 2014 - 04:54:00 PDT)
[AMBER] Berendsen vs. Monte Carlo
- Brian Radak (Fri Jul 25 2014 - 07:49:06 PDT)
- Parker de Waal (Fri Jul 25 2014 - 05:23:21 PDT)
- Jason Swails (Thu Jul 24 2014 - 22:20:29 PDT)
- Parker de Waal (Thu Jul 24 2014 - 19:14:06 PDT)
[AMBER] Bug in tleap savemol2?
- David Minh (Wed Jul 23 2014 - 13:05:22 PDT)
- Jason Swails (Wed Jul 23 2014 - 10:39:24 PDT)
- David Minh (Wed Jul 23 2014 - 09:41:59 PDT)
[AMBER] Build Xleap
- Baptiste Legrand (Mon Jul 07 2014 - 08:35:51 PDT)
- David A Case (Mon Jul 07 2014 - 07:20:22 PDT)
- Baptiste Legrand (Mon Jul 07 2014 - 06:15:14 PDT)
- David A Case (Mon Jul 07 2014 - 04:43:39 PDT)
- Baptiste Legrand (Mon Jul 07 2014 - 01:24:32 PDT)
[AMBER] cholesterol with lipid14
- Thomas Evangelidis (Fri Jul 11 2014 - 00:44:33 PDT)
[AMBER] coordinate and topology files using tleap from RED server output files
- FyD (Tue Jul 15 2014 - 04:01:41 PDT)
- Iqbal, Muhammad Sajid (Mon Jul 14 2014 - 14:17:40 PDT)
[AMBER] Could not find cntrl namelist
- Pengfei Li (Tue Jul 15 2014 - 07:41:55 PDT)
- Fengxue Li (Tue Jul 15 2014 - 06:19:27 PDT)
[AMBER] Could not find vdW (or other) parameters for type
- Pedro Swagger (Wed Jul 30 2014 - 16:38:35 PDT)
[AMBER] Cpptraj clustering
- James Starlight (Thu Jul 24 2014 - 08:13:19 PDT)
[AMBER] cpptraj hbond
- Neha Gandhi (Wed Jul 09 2014 - 07:34:47 PDT)
- Daniel Roe (Tue Jul 08 2014 - 12:31:28 PDT)
- Neha Gandhi (Mon Jul 07 2014 - 23:55:34 PDT)
[AMBER] cpptraj help
- Saikat Dutta chowdhury (Mon Jul 14 2014 - 06:21:38 PDT)
- Daniel Roe (Mon Jul 14 2014 - 05:38:20 PDT)
- Saikat Dutta chowdhury (Mon Jul 14 2014 - 04:40:16 PDT)
[AMBER] cpptraj not processing all mdcrd files
- Daniel Roe (Fri Jul 25 2014 - 09:25:50 PDT)
- Kshatresh Dutta Dubey (Thu Jul 24 2014 - 14:50:24 PDT)
[AMBER] cpptraj rotdif parameters
- David A Case (Thu Jul 10 2014 - 17:17:44 PDT)
- Alegrete, Matthew (Thu Jul 10 2014 - 12:34:29 PDT)
[AMBER] cpptraj: arithmetic on data sets?
- Daniel Roe (Tue Jul 01 2014 - 09:24:47 PDT)
[AMBER] Cuda tests failure on GeForce GTX 780
- Jason Swails (Tue Jul 01 2014 - 09:50:51 PDT)
- Serzhan Sakipov (Tue Jul 01 2014 - 09:17:10 PDT)
[AMBER] cuda.test errors
- Jonathan Gough (Sat Jul 12 2014 - 06:10:45 PDT)
- Ross Walker (Fri Jul 11 2014 - 15:03:54 PDT)
- Jonathan Gough (Fri Jul 11 2014 - 14:53:28 PDT)
[AMBER] CYM charges in amino14ipq.lib wrong?
- David A Case (Thu Jul 24 2014 - 06:00:11 PDT)
- Marc van der Kamp (Thu Jul 24 2014 - 05:27:11 PDT)
[AMBER] DCCP analysis
- Daniel Roe (Thu Jul 10 2014 - 06:57:43 PDT)
- Soumendranath Bhakat (Thu Jul 10 2014 - 02:04:18 PDT)
[AMBER] Debug amber energy parameters
- Daniel Roe (Thu Jul 03 2014 - 08:46:10 PDT)
- Ramuntcho Moretti (Thu Jul 03 2014 - 02:17:08 PDT)
[AMBER] diffusion path length
- newamber list (Mon Jul 14 2014 - 09:52:48 PDT)
- Daniel Roe (Mon Jul 14 2014 - 08:51:13 PDT)
- newamber list (Sat Jul 12 2014 - 13:54:31 PDT)
- Daniel Roe (Sat Jul 12 2014 - 11:02:19 PDT)
- newamber list (Sat Jul 12 2014 - 09:01:27 PDT)
- newamber list (Fri Jul 11 2014 - 13:41:00 PDT)
- Daniel Roe (Fri Jul 11 2014 - 12:57:34 PDT)
- newamber list (Fri Jul 11 2014 - 12:11:03 PDT)
[AMBER] Downloading old versions of AMBERTools
- Jason Swails (Tue Jul 15 2014 - 10:09:06 PDT)
- Marawan Hussien (Tue Jul 15 2014 - 09:09:30 PDT)
- Jason Swails (Mon Jul 14 2014 - 16:10:50 PDT)
- Marawan Hussien (Mon Jul 14 2014 - 14:55:19 PDT)
[AMBER] Electrostatic energy calculated by MD in MM/GBSA
- menwer momo (Fri Jul 18 2014 - 14:53:04 PDT)
- Jason Swails (Fri Jul 18 2014 - 14:48:16 PDT)
- Jason Swails (Fri Jul 18 2014 - 14:17:38 PDT)
- Jason Swails (Fri Jul 18 2014 - 13:45:00 PDT)
- menwer momo (Fri Jul 18 2014 - 13:38:42 PDT)
- Jason Swails (Fri Jul 18 2014 - 13:18:46 PDT)
- menwer momo (Fri Jul 18 2014 - 13:06:08 PDT)
[AMBER] element symbol error in tleap
- David A Case (Fri Jul 25 2014 - 04:23:54 PDT)
- Changqing Yan (Fri Jul 25 2014 - 02:19:16 PDT)
- Changqing Yan (Fri Jul 25 2014 - 01:52:40 PDT)
- cq y (Fri Jul 25 2014 - 01:35:03 PDT)
[AMBER] entropy Calculation
- Him Shweta (Thu Jul 10 2014 - 20:50:31 PDT)
- Jason Swails (Thu Jul 10 2014 - 11:11:17 PDT)
- Him Shweta (Thu Jul 10 2014 - 09:30:56 PDT)
- Him Shweta (Thu Jul 10 2014 - 05:52:06 PDT)
- Jason Swails (Tue Jul 08 2014 - 22:38:40 PDT)
- Him Shweta (Tue Jul 08 2014 - 22:12:06 PDT)
[AMBER] Equilibirum/System convergence
- Carlos Simmerling (Thu Jul 31 2014 - 10:33:38 PDT)
- Parker de Waal (Thu Jul 31 2014 - 10:15:37 PDT)
[AMBER] erro na criação do complexo
- renatoac.ufpa.br (Wed Jul 30 2014 - 13:00:15 PDT)
- Daniel Roe (Wed Jul 30 2014 - 12:53:50 PDT)
- renatoac.ufpa.br (Wed Jul 30 2014 - 12:50:07 PDT)
- renatoac.ufpa.br (Wed Jul 30 2014 - 12:43:10 PDT)
[AMBER] error in md simulation in pmemd.cuda.MPI
- Ross Walker (Mon Jul 21 2014 - 08:32:16 PDT)
- Subrata Paul (Mon Jul 21 2014 - 07:07:05 PDT)
[AMBER] Error installing Ambertools on Centos 6.3 and open suse 12.3
- Jason Swails (Thu Jul 17 2014 - 08:11:46 PDT)
- Charu Suri (Thu Jul 17 2014 - 05:45:58 PDT)
[AMBER] Error output file
- Jason Swails (Tue Jul 15 2014 - 08:47:21 PDT)
- Soumendranath Bhakat (Tue Jul 15 2014 - 01:59:07 PDT)
- Soumendranath Bhakat (Tue Jul 15 2014 - 01:51:27 PDT)
- Faez Iqbal khan (Tue Jul 15 2014 - 01:17:49 PDT)
[AMBER] Error while running tleap
- Suchetana Gupta (Tue Jul 15 2014 - 09:00:09 PDT)
- Jason Swails (Tue Jul 15 2014 - 08:55:24 PDT)
- Suchetana Gupta (Tue Jul 15 2014 - 02:13:20 PDT)
[AMBER] Error: invalid configuration argument launching kernel kPMEFillChargeGridBuffer
- Jason Swails (Mon Jul 28 2014 - 06:42:09 PDT)
- Pablo Ródenas (Mon Jul 28 2014 - 06:04:14 PDT)
[AMBER] errors in compiling AmberTools14
- Alessandro Contini (Mon Jul 07 2014 - 07:42:51 PDT)
- Jason Swails (Mon Jul 07 2014 - 07:35:22 PDT)
- Alessandro Contini (Mon Jul 07 2014 - 02:21:40 PDT)
- Alessandro Contini (Fri Jul 04 2014 - 00:26:19 PDT)
[AMBER] evaluating hydrogen bond using ptraj
- Vijay Manickam Achari (Thu Jul 10 2014 - 23:31:05 PDT)
[AMBER] Extracting total energy and other enegy componenets of ligand
- Daniel Roe (Wed Jul 02 2014 - 07:20:21 PDT)
- Soumendranath Bhakat (Wed Jul 02 2014 - 02:51:27 PDT)
[AMBER] Failed to generate parameter file
- David A Case (Thu Jul 03 2014 - 05:19:33 PDT)
- Soumendranath Bhakat (Thu Jul 03 2014 - 04:45:38 PDT)
- Vishal Nemaysh (Thu Jul 03 2014 - 02:45:46 PDT)
[AMBER] Finding a good REMD temperature ladder
- Carlos Simmerling (Wed Jul 09 2014 - 13:13:51 PDT)
- Daniel Roe (Wed Jul 09 2014 - 12:47:16 PDT)
- Eugene Yedvabny (Wed Jul 09 2014 - 11:01:39 PDT)
[AMBER] Free Binding Energy Calculation
- Him Shweta (Thu Jul 10 2014 - 06:20:39 PDT)
- Bill Miller III (Thu Jul 10 2014 - 06:11:28 PDT)
- Him Shweta (Thu Jul 10 2014 - 05:58:01 PDT)
[AMBER] Fwd: AMBER Digest, Vol 926, Issue 1
- David A Case (Sat Jul 26 2014 - 06:21:12 PDT)
- Changqing Yan (Fri Jul 25 2014 - 19:22:45 PDT)
[AMBER] Fwd: error in md simulation in pmemd.cuda.MPI
- Subrata Paul (Mon Jul 21 2014 - 07:10:16 PDT)
[AMBER] Fwd: error: unable to generate parameter file
- Soumendranath Bhakat (Wed Jul 02 2014 - 00:19:00 PDT)
- Harmeet Kaur (Wed Jul 02 2014 - 00:07:45 PDT)
[AMBER] Fwd: neighbours around an atom
- Krisztina Fehér (Sat Jul 05 2014 - 08:15:07 PDT)
- Krisztina Fehér (Sat Jul 05 2014 - 08:10:02 PDT)
- Daniel Roe (Sat Jul 05 2014 - 07:49:40 PDT)
- Jason Swails (Sat Jul 05 2014 - 07:31:39 PDT)
- Krisztina Fehér (Sat Jul 05 2014 - 07:18:55 PDT)
- Daniel Roe (Fri Jul 04 2014 - 10:59:31 PDT)
- Krisztina Feher (Fri Jul 04 2014 - 05:20:09 PDT)
- Krisztina Fehér (Fri Jul 04 2014 - 04:49:44 PDT)
- Krisztina Fehér (Fri Jul 04 2014 - 02:48:08 PDT)
[AMBER] Fwd: problem in installation of ambertools14
- David A Case (Sat Jul 19 2014 - 05:36:59 PDT)
- Hirdesh Kumar (Sat Jul 19 2014 - 04:38:29 PDT)
- David A Case (Fri Jul 18 2014 - 04:50:21 PDT)
- Raman Parkesh (Fri Jul 18 2014 - 04:25:17 PDT)
- Vidushi Sharma (Fri Jul 18 2014 - 04:13:12 PDT)
[AMBER] Fwd: Running PCA
- Nicole Ippolito (Tue Jul 29 2014 - 06:24:45 PDT)
[AMBER] GIST - unusually high water-water energies
- Waldner, Birgit (Tue Jul 22 2014 - 23:13:33 PDT)
[AMBER] gpu and cpu runs
- Mary Varughese (Wed Jul 16 2014 - 21:31:14 PDT)
- Scott Le Grand (Wed Jul 16 2014 - 10:21:52 PDT)
- Ross Walker (Wed Jul 16 2014 - 10:03:59 PDT)
- Mary Varughese (Tue Jul 15 2014 - 20:29:02 PDT)
- Jason Swails (Tue Jul 15 2014 - 19:08:14 PDT)
- Mary Varughese (Tue Jul 15 2014 - 18:57:47 PDT)
- Jason Swails (Tue Jul 15 2014 - 08:43:55 PDT)
- Mary Varughese (Tue Jul 15 2014 - 00:23:24 PDT)
[AMBER] GPU error Attempting MC barostat change: Failed
- Jason Swails (Thu Jul 24 2014 - 22:01:04 PDT)
- Raman Parkesh (Thu Jul 24 2014 - 17:35:49 PDT)
- Jason Swails (Thu Jul 24 2014 - 11:03:58 PDT)
- Raman Parkesh (Thu Jul 24 2014 - 07:10:07 PDT)
[AMBER] graph energy check after minimization
- amor san juan (Sat Jul 12 2014 - 03:03:44 PDT)
- Jason Swails (Fri Jul 11 2014 - 12:19:44 PDT)
- amor san juan (Fri Jul 11 2014 - 11:59:47 PDT)
[AMBER] grid analysis
- Mary Varughese (Wed Jul 02 2014 - 21:48:29 PDT)
- Daniel Roe (Wed Jul 02 2014 - 12:11:54 PDT)
- Mary Varughese (Wed Jul 02 2014 - 11:19:12 PDT)
- Daniel Roe (Wed Jul 02 2014 - 07:03:25 PDT)
- Mary Varughese (Tue Jul 01 2014 - 19:04:44 PDT)
[AMBER] Hello
- David A Case (Wed Jul 23 2014 - 04:51:12 PDT)
- Pengfei Li (Tue Jul 22 2014 - 19:59:08 PDT)
- SaeeD PourasaD (Tue Jul 22 2014 - 19:34:13 PDT)
[AMBER] help
- David A Case (Tue Jul 22 2014 - 16:28:16 PDT)
- Jason Swails (Tue Jul 22 2014 - 16:17:53 PDT)
- Zeynep Topdemir (Tue Jul 22 2014 - 16:01:20 PDT)
[AMBER] HELP Needed: AMBER12 cuda compilation ERROR
- Jason Swails (Wed Jul 30 2014 - 05:26:08 PDT)
- Saikat Dutta chowdhury (Wed Jul 30 2014 - 04:18:19 PDT)
[AMBER] Hi
- Him Shweta (Fri Jul 25 2014 - 02:19:46 PDT)
- Marc van der Kamp (Thu Jul 24 2014 - 01:23:28 PDT)
- SaeeD PourasaD (Thu Jul 24 2014 - 00:14:15 PDT)
[AMBER] high energy output
- Ross Walker (Wed Jul 02 2014 - 12:06:13 PDT)
- kirtana S (Wed Jul 02 2014 - 11:52:58 PDT)
[AMBER] How do I apply cpptraj.timecorr to the output dataset of cpptraj.dihedral?
- Jose Borreguero (Thu Jul 17 2014 - 11:36:54 PDT)
- Jose Borreguero (Thu Jul 17 2014 - 06:50:44 PDT)
- Daniel Roe (Wed Jul 16 2014 - 21:56:39 PDT)
- Jose Borreguero (Wed Jul 16 2014 - 16:40:48 PDT)
[AMBER] How is temperature in Amber MD simulations calculated?
- Jason Swails (Thu Jul 10 2014 - 13:53:30 PDT)
- Brian Radak (Thu Jul 10 2014 - 13:40:11 PDT)
- Arthur Roberts (Thu Jul 10 2014 - 13:04:20 PDT)
[AMBER] How to calculate the parameters of metal ions?
- Ken Merz (Thu Jul 31 2014 - 07:36:39 PDT)
- FyD (Thu Jul 31 2014 - 07:20:03 PDT)
- Brian Radak (Thu Jul 31 2014 - 07:17:05 PDT)
- Christina Bergonzo (Thu Jul 31 2014 - 07:07:58 PDT)
- Jinfeng Huang (Thu Jul 31 2014 - 06:58:50 PDT)
[AMBER] How to Extract Energy Contribution of Ligand Only
- Soumendranath Bhakat (Wed Jul 02 2014 - 02:57:38 PDT)
[AMBER] how to quantify and visualize the flow of water into a protein
- Thomas Evangelidis (Tue Jul 08 2014 - 16:20:14 PDT)
[AMBER] How to strip water from .mdcrd file?
- Wujie Wang (Fri Jul 04 2014 - 09:56:07 PDT)
- Wujie Wang (Fri Jul 04 2014 - 09:48:06 PDT)
- Soumendranath Bhakat (Fri Jul 04 2014 - 00:06:25 PDT)
- Wujie Wang (Thu Jul 03 2014 - 18:36:13 PDT)
[AMBER] Hydrogen bond analysis
- Daniel Roe (Tue Jul 22 2014 - 08:13:35 PDT)
- menwer momo (Sat Jul 19 2014 - 03:56:41 PDT)
[AMBER] hydrogen bond evaluation
- Jason Swails (Tue Jul 15 2014 - 08:35:16 PDT)
- Daniel Roe (Mon Jul 14 2014 - 09:05:51 PDT)
- Jason Swails (Mon Jul 14 2014 - 08:49:28 PDT)
- Vijay Manickam Achari (Mon Jul 14 2014 - 02:28:26 PDT)
[AMBER] Imaging issue
- David A Case (Mon Jul 07 2014 - 04:47:12 PDT)
- Michael Criddle (Mon Jul 07 2014 - 02:24:49 PDT)
[AMBER] imaging problem
- Daniel Roe (Tue Jul 08 2014 - 12:21:16 PDT)
- Jonathan Gough (Tue Jul 08 2014 - 11:17:18 PDT)
- Daniel Roe (Tue Jul 08 2014 - 10:52:03 PDT)
- Jonathan Gough (Tue Jul 08 2014 - 07:12:06 PDT)
- Daniel Roe (Mon Jul 07 2014 - 07:16:24 PDT)
- Jonathan Gough (Sun Jul 06 2014 - 14:41:48 PDT)
[AMBER] imin=5
- Lara rajam (Thu Jul 17 2014 - 09:19:57 PDT)
- Brian Radak (Thu Jul 17 2014 - 08:31:44 PDT)
- Carlos Simmerling (Thu Jul 17 2014 - 08:24:44 PDT)
- Lara rajam (Thu Jul 17 2014 - 08:12:13 PDT)
[AMBER] imin=5, maxcyc>1 stalls
- Allen, Scott Edward (Tue Jul 08 2014 - 08:56:08 PDT)
- Jason Swails (Tue Jul 08 2014 - 08:21:26 PDT)
- Allen, Scott Edward (Tue Jul 08 2014 - 06:59:59 PDT)
[AMBER] Implicit solvent and membrane protein
- James Starlight (Fri Jul 18 2014 - 03:31:26 PDT)
- Thomas Evangelidis (Fri Jul 18 2014 - 03:22:00 PDT)
- James Starlight (Fri Jul 18 2014 - 03:05:20 PDT)
- Thomas Evangelidis (Fri Jul 18 2014 - 02:18:59 PDT)
- James Starlight (Fri Jul 18 2014 - 02:06:33 PDT)
- Carlos Simmerling (Thu Jul 17 2014 - 12:55:41 PDT)
- James Starlight (Thu Jul 17 2014 - 12:51:15 PDT)
- Ray Luo, Ph.D. (Thu Jul 17 2014 - 11:27:50 PDT)
- James Starlight (Thu Jul 17 2014 - 00:21:29 PDT)
[AMBER] inositol hexakisphosphate
- FyD (Tue Jul 08 2014 - 08:18:24 PDT)
- Hector A. Baldoni (Mon Jul 07 2014 - 14:12:39 PDT)
[AMBER] installation of AMBER 12 in MAC 10.7 lion
- David A Case (Wed Jul 16 2014 - 05:23:11 PDT)
- Vishal Nemaysh (Wed Jul 16 2014 - 00:14:42 PDT)
[AMBER] Issues Compiling AmberTools13
- Jason Swails (Wed Jul 02 2014 - 12:54:20 PDT)
- Malachi Phillips (Wed Jul 02 2014 - 12:20:15 PDT)
[AMBER] Issues running RED ESP software
- Malachi Phillips (Tue Jul 08 2014 - 10:25:40 PDT)
[AMBER] iwrap
- Teerapong Pirojsirikul (Thu Jul 17 2014 - 10:33:51 PDT)
- Sourav Purohit (Thu Jul 17 2014 - 10:03:43 PDT)
[AMBER] Lipid and protein - error reading group during heat
- David A Case (Mon Jul 21 2014 - 03:46:17 PDT)
- Jonathan Gough (Sun Jul 20 2014 - 20:50:39 PDT)
[AMBER] Loop refirement
- James Starlight (Thu Jul 17 2014 - 10:31:19 PDT)
- Carlos Simmerling (Thu Jul 17 2014 - 10:06:50 PDT)
- Carlos Simmerling (Thu Jul 17 2014 - 10:05:47 PDT)
- James Starlight (Thu Jul 17 2014 - 09:32:19 PDT)
- James Starlight (Thu Jul 17 2014 - 09:01:59 PDT)
- Carlos Simmerling (Thu Jul 17 2014 - 05:00:04 PDT)
- James Starlight (Thu Jul 17 2014 - 04:47:53 PDT)
- James Starlight (Thu Jul 17 2014 - 00:27:46 PDT)
- Carlos Simmerling (Wed Jul 16 2014 - 08:37:04 PDT)
- James Starlight (Thu Jul 10 2014 - 02:44:21 PDT)
- James Starlight (Wed Jul 09 2014 - 03:01:15 PDT)
[AMBER] mailing list problem
- Vidushi Sharma (Sat Jul 19 2014 - 04:04:34 PDT)
[AMBER] memory allocation error for *bond
- David A Case (Sun Jul 20 2014 - 05:05:57 PDT)
- Vishal Nemaysh (Sun Jul 20 2014 - 02:38:17 PDT)
- Vishal Nemaysh (Sat Jul 19 2014 - 09:36:00 PDT)
- David A Case (Sat Jul 19 2014 - 05:34:05 PDT)
- Vishal Nemaysh (Sat Jul 19 2014 - 03:18:57 PDT)
[AMBER] MM-PBSA
- Jason Swails (Wed Jul 02 2014 - 09:19:10 PDT)
- Soumendranath Bhakat (Wed Jul 02 2014 - 07:32:03 PDT)
- Jason Swails (Wed Jul 02 2014 - 07:13:37 PDT)
- Soumendranath Bhakat (Wed Jul 02 2014 - 05:05:15 PDT)
- David A Case (Wed Jul 02 2014 - 04:55:18 PDT)
- Zeinab Tavasoli (Wed Jul 02 2014 - 03:08:44 PDT)
[AMBER] MMPBSA
- Jason Swails (Fri Jul 04 2014 - 12:04:41 PDT)
- Sourav Purohit (Fri Jul 04 2014 - 02:10:46 PDT)
[AMBER] MMPBSA Energy between system and its image
- Jason Swails (Fri Jul 04 2014 - 15:29:16 PDT)
- Ahmed Ayoub (Fri Jul 04 2014 - 14:15:44 PDT)
- Jason Swails (Thu Jul 03 2014 - 13:02:20 PDT)
- Ahmed Ayoub (Thu Jul 03 2014 - 12:41:17 PDT)
[AMBER] MMPBSA: calcerror Failed with prmtop complex.prmtop
- Vivek Shankar Bharadwaj (Thu Jul 31 2014 - 20:55:52 PDT)
- Vivek Shankar Bharadwaj (Thu Jul 31 2014 - 20:46:39 PDT)
- Jason Swails (Thu Jul 31 2014 - 20:33:05 PDT)
- Vivek Shankar Bharadwaj (Thu Jul 31 2014 - 20:07:35 PDT)
- Vivek Shankar Bharadwaj (Thu Jul 31 2014 - 19:59:29 PDT)
- Jason Swails (Thu Jul 31 2014 - 19:51:54 PDT)
- Vivek Shankar Bharadwaj (Thu Jul 31 2014 - 18:23:43 PDT)
[AMBER] nativecontacts by amber14 cpptraj
- Rajeswari A. (Tue Jul 15 2014 - 21:52:43 PDT)
- Daniel Roe (Tue Jul 15 2014 - 09:47:33 PDT)
- Rajeswari A. (Tue Jul 15 2014 - 04:36:00 PDT)
[AMBER] ncsu_smd support in pmemd amber12
- Jason Swails (Thu Jul 03 2014 - 07:38:34 PDT)
- Asmita Gupta (Thu Jul 03 2014 - 06:31:56 PDT)
[AMBER] neighbours around an atom
- Daniel Roe (Thu Jul 03 2014 - 09:46:43 PDT)
- Jason Swails (Thu Jul 03 2014 - 09:21:57 PDT)
- Krisztina Feher (Thu Jul 03 2014 - 07:16:14 PDT)
[AMBER] NMR distance restrains
- Valentina Romano (Thu Jul 03 2014 - 00:39:14 PDT)
- David A Case (Wed Jul 02 2014 - 08:04:32 PDT)
- Valentina Romano (Wed Jul 02 2014 - 07:50:16 PDT)
- David A Case (Wed Jul 02 2014 - 07:14:29 PDT)
- Valentina Romano (Wed Jul 02 2014 - 06:28:55 PDT)
[AMBER] No parameters for PGR in lipid14
- Jason Swails (Wed Jul 02 2014 - 07:00:59 PDT)
- Niels Geudens (Wed Jul 02 2014 - 05:12:33 PDT)
- Dickson, Callum J (Wed Jul 02 2014 - 03:52:50 PDT)
- Niels Geudens (Wed Jul 02 2014 - 03:41:19 PDT)
[AMBER] NONBONDED_PARM_INDEX
- Shweta (Wed Jul 30 2014 - 05:31:28 PDT)
- David A Case (Tue Jul 29 2014 - 05:09:09 PDT)
- Him Shweta (Tue Jul 29 2014 - 00:37:39 PDT)
[AMBER] Not integer charge for glycoprotein
- Lachele Foley (Thu Jul 24 2014 - 10:27:46 PDT)
- Tommaso Casalini (Thu Jul 24 2014 - 09:28:52 PDT)
[AMBER] NVT and NPT ensemble
- Sangita Kachhap (Tue Jul 22 2014 - 21:20:00 PDT)
- Raman Parkesh (Tue Jul 22 2014 - 19:54:46 PDT)
- Soumendranath Bhakat (Mon Jul 21 2014 - 01:55:47 PDT)
- Sangita Kachhap (Mon Jul 21 2014 - 01:17:41 PDT)
[AMBER] On the ussage of the langevens thermostat with the gb models
- James Starlight (Mon Jul 28 2014 - 04:22:05 PDT)
- Carlos Simmerling (Sat Jul 26 2014 - 04:50:10 PDT)
- James Starlight (Sat Jul 26 2014 - 00:03:20 PDT)
[AMBER] On the values of boost potential for aMD based on amd.log
- James Starlight (Wed Jul 23 2014 - 12:20:45 PDT)
- Brian Radak (Wed Jul 23 2014 - 08:28:35 PDT)
- Thomas Evangelidis (Wed Jul 23 2014 - 08:26:56 PDT)
- James Starlight (Wed Jul 23 2014 - 07:54:56 PDT)
- Daniel Roe (Wed Jul 23 2014 - 07:02:03 PDT)
- James Starlight (Wed Jul 23 2014 - 02:08:40 PDT)
[AMBER] Orbital Hessian Not Positive Definite Error
- Malachi Phillips (Tue Jul 08 2014 - 14:49:17 PDT)
[AMBER] Parameter file for polyethyleglycol PEG
- FyD (Thu Jul 10 2014 - 02:53:39 PDT)
- Jason Swails (Tue Jul 08 2014 - 11:16:04 PDT)
- Iqbal, Muhammad Sajid (Tue Jul 08 2014 - 11:03:04 PDT)
[AMBER] parameterizing a connected moiety
- FyD (Fri Jul 18 2014 - 06:38:11 PDT)
- Jason Swails (Thu Jul 17 2014 - 14:51:14 PDT)
- Mohammad Salem (Thu Jul 17 2014 - 14:31:15 PDT)
[AMBER] Parameters for SulfoTyrosine
- Brian Radak (Wed Jul 30 2014 - 08:08:31 PDT)
- Stephane Azoulay (Wed Jul 30 2014 - 07:52:19 PDT)
[AMBER] parmchk2 segfaults
- Hannes Loeffler (Fri Jul 25 2014 - 02:48:01 PDT)
- Jason Swails (Thu Jul 24 2014 - 14:36:24 PDT)
- Hannes Loeffler (Thu Jul 24 2014 - 07:47:27 PDT)
- Jason Swails (Fri Jul 11 2014 - 08:16:55 PDT)
- Sushil Mishra (Fri Jul 11 2014 - 01:41:28 PDT)
[AMBER] pbc problem
- David A Case (Thu Jul 24 2014 - 13:38:53 PDT)
- Niloofar Nayebi (Thu Jul 24 2014 - 09:21:24 PDT)
[AMBER] periodic box drifted during NVE run
- Quynh Vo (Thu Jul 03 2014 - 13:19:34 PDT)
- David A Case (Wed Jul 02 2014 - 04:40:16 PDT)
- Quynh Vo (Tue Jul 01 2014 - 13:11:10 PDT)
[AMBER] PMEMD running on Intel Xeon Phi
- Hai Long (Mon Jul 07 2014 - 09:52:18 PDT)
- Ross Walker (Thu Jul 03 2014 - 20:22:02 PDT)
- Scott Le Grand (Thu Jul 03 2014 - 19:17:57 PDT)
- Hai Long (Thu Jul 03 2014 - 12:22:29 PDT)
[AMBER] pmemdTI test failure
- David A Case (Tue Jul 08 2014 - 11:55:01 PDT)
- Blake Mertz (Tue Jul 08 2014 - 10:32:49 PDT)
[AMBER] PMF by WHAM
- Brian Radak (Mon Jul 28 2014 - 06:53:57 PDT)
- Marta Wisniewska (Mon Jul 28 2014 - 06:22:46 PDT)
[AMBER] pressure tensor
- Jason Swails (Tue Jul 15 2014 - 10:36:47 PDT)
- kirtana S (Sat Jul 12 2014 - 10:45:23 PDT)
[AMBER] problem in "re-image" and "unwarp"
- Him Shweta (Wed Jul 16 2014 - 04:13:42 PDT)
[AMBER] Problem on making inpcrd file
- Jason Swails (Mon Jul 28 2014 - 16:24:02 PDT)
- 肖立 (Mon Jul 28 2014 - 16:13:26 PDT)
- Jason Swails (Mon Jul 28 2014 - 06:36:55 PDT)
- David A Case (Sun Jul 27 2014 - 20:52:27 PDT)
- 肖立 (Sun Jul 27 2014 - 13:06:34 PDT)
[AMBER] problem to apply AmberTools patch 7 and induced crash of the whole Amber14 installation process
- Marek Maly (Mon Jul 28 2014 - 07:17:18 PDT)
- Jason Swails (Mon Jul 28 2014 - 06:58:21 PDT)
- Marek Maly (Mon Jul 28 2014 - 05:56:07 PDT)
- David A Case (Mon Jul 28 2014 - 05:58:15 PDT)
- Marc van der Kamp (Mon Jul 28 2014 - 04:49:23 PDT)
- Marek Maly (Sun Jul 27 2014 - 09:35:39 PDT)
[AMBER] Problem with atommap in cpptraj
- Daniel Roe (Thu Jul 31 2014 - 13:31:15 PDT)
- Daniel Roe (Wed Jul 16 2014 - 21:47:52 PDT)
- Rajeswari A. (Wed Jul 16 2014 - 07:04:15 PDT)
[AMBER] Problem with MMPBSA.py
- Jason Swails (Tue Jul 08 2014 - 22:50:50 PDT)
- Rajeswari A. (Tue Jul 08 2014 - 22:32:09 PDT)
- Jason Swails (Tue Jul 08 2014 - 08:44:03 PDT)
- Rajeswari A. (Tue Jul 08 2014 - 07:07:03 PDT)
[AMBER] problems with paramfit
- Marek Maly (Wed Jul 30 2014 - 13:29:56 PDT)
- Marek Maly (Mon Jul 28 2014 - 18:25:16 PDT)
- Robin Betz (Mon Jul 28 2014 - 17:52:14 PDT)
- Marek Maly (Mon Jul 28 2014 - 13:51:11 PDT)
- Robin Betz (Mon Jul 28 2014 - 13:12:58 PDT)
- Marek Maly (Sun Jul 27 2014 - 09:12:35 PDT)
- Marek Maly (Fri Jul 25 2014 - 08:52:48 PDT)
- Robin Betz (Fri Jul 25 2014 - 08:33:37 PDT)
- Marek Maly (Thu Jul 24 2014 - 14:56:00 PDT)
[AMBER] ptraj binary missing from AmberTools 13 install?
- Jason Swails (Wed Jul 23 2014 - 18:58:30 PDT)
- Raik Grünberg (Wed Jul 23 2014 - 17:59:21 PDT)
- Daniel Roe (Wed Jul 23 2014 - 13:42:48 PDT)
- Raik Grünberg (Wed Jul 23 2014 - 13:23:08 PDT)
- Raik Grünberg (Wed Jul 23 2014 - 13:14:41 PDT)
[AMBER] ptraj: Could not find target 302.280000 in any of the replica trajectories
- Jason Swails (Tue Jul 08 2014 - 21:01:01 PDT)
- Daniel Roe (Tue Jul 08 2014 - 19:42:03 PDT)
- Mele N. (Sun Jul 06 2014 - 02:20:00 PDT)
- Daniel Roe (Sat Jul 05 2014 - 07:57:04 PDT)
- Mele N. (Sat Jul 05 2014 - 02:48:42 PDT)
- Mele N. (Fri Jul 04 2014 - 13:22:05 PDT)
- Jason Swails (Fri Jul 04 2014 - 12:58:02 PDT)
- Mele N. (Fri Jul 04 2014 - 12:23:56 PDT)
- Daniel Roe (Fri Jul 04 2014 - 11:05:53 PDT)
- Mele N. (Fri Jul 04 2014 - 06:19:41 PDT)
[AMBER] QM on Adenosine
- Christina Bergonzo (Wed Jul 02 2014 - 07:50:33 PDT)
- Steven M. Graham (Wed Jul 02 2014 - 07:25:51 PDT)
[AMBER] Query about QM/MM scanning using amber
- Jason Swails (Sun Jul 13 2014 - 09:15:58 PDT)
- Kshatresh Dutta Dubey (Sun Jul 13 2014 - 04:24:50 PDT)
[AMBER] Question
- Jason Swails (Thu Jul 10 2014 - 14:11:50 PDT)
- Brittany Boykin (Thu Jul 10 2014 - 14:01:53 PDT)
- Daniel Roe (Wed Jul 09 2014 - 09:58:10 PDT)
- Brittany Boykin (Wed Jul 09 2014 - 09:51:19 PDT)
[AMBER] question about lipid tutorial
- Jonathan Gough (Thu Jul 31 2014 - 13:15:57 PDT)
[AMBER] questions on output files of hbond analysis
- David A Case (Tue Jul 08 2014 - 04:46:32 PDT)
- zhangmk (Mon Jul 07 2014 - 21:00:12 PDT)
- Daniel Roe (Mon Jul 07 2014 - 07:10:37 PDT)
- zhangmk (Mon Jul 07 2014 - 03:01:23 PDT)
[AMBER] RDF
- Brian Radak (Tue Jul 01 2014 - 09:13:43 PDT)
- zahra khatti (Tue Jul 01 2014 - 03:04:24 PDT)
[AMBER] Regarding LIE in cpptraj
- Daniel Roe (Tue Jul 22 2014 - 07:43:25 PDT)
- Kshatresh Dutta Dubey (Tue Jul 22 2014 - 00:23:50 PDT)
[AMBER] renumber all residues in prmtop
- David A Case (Thu Jul 24 2014 - 05:02:33 PDT)
- Thomas Evangelidis (Thu Jul 24 2014 - 00:09:06 PDT)
- Jason Swails (Wed Jul 23 2014 - 19:04:41 PDT)
- Thomas Evangelidis (Wed Jul 23 2014 - 16:33:01 PDT)
[AMBER] RESP fitting with group restraint
- niels.geudens.ugent.be (Mon Jul 07 2014 - 11:09:34 PDT)
- FyD (Tue Jul 08 2014 - 08:24:04 PDT)
- Niels Geudens (Tue Jul 08 2014 - 06:08:17 PDT)
[AMBER] RNA covalent bond angles
- Blatter Markus (Wed Jul 16 2014 - 08:38:07 PDT)
- Niel Henriksen (Wed Jul 16 2014 - 08:19:38 PDT)
- Blatter Markus (Wed Jul 16 2014 - 08:11:37 PDT)
- Christina Bergonzo (Wed Jul 16 2014 - 07:44:06 PDT)
- Blatter Markus (Wed Jul 16 2014 - 02:33:35 PDT)
[AMBER] Running PCA
- Daniel Roe (Wed Jul 30 2014 - 07:05:04 PDT)
- Nicole Ippolito (Wed Jul 30 2014 - 06:46:55 PDT)
- Nicole Ippolito (Tue Jul 29 2014 - 08:07:55 PDT)
- Daniel Roe (Tue Jul 29 2014 - 07:31:20 PDT)
- Daniel Roe (Tue Jul 29 2014 - 07:16:28 PDT)
- Nicole Ippolito (Fri Jul 25 2014 - 10:56:31 PDT)
[AMBER] sander error "Could not find cntrl namelist"
- Asmita Gupta (Wed Jul 02 2014 - 07:20:21 PDT)
- David A Case (Tue Jul 01 2014 - 12:10:54 PDT)
- Asmita Gupta (Tue Jul 01 2014 - 09:22:06 PDT)
- Jason Swails (Tue Jul 01 2014 - 08:40:20 PDT)
- Asmita Gupta (Tue Jul 01 2014 - 08:31:36 PDT)
[AMBER] Sander of Amber11, Amber12 and AmberTools14
- Massimiliano Porrini (Fri Jul 11 2014 - 03:30:43 PDT)
- Jason Swails (Thu Jul 10 2014 - 11:13:46 PDT)
- Massimiliano Porrini (Thu Jul 10 2014 - 10:59:30 PDT)
[AMBER] sander.APBS: automatic grid adjustments in output?
- Brian Radak (Wed Jul 23 2014 - 05:35:21 PDT)
- Robert Konecny (Tue Jul 22 2014 - 20:47:46 PDT)
- Brian Radak (Tue Jul 22 2014 - 09:55:47 PDT)
[AMBER] ScaledMD for proline dipeptide
- Jason Swails (Fri Jul 18 2014 - 02:05:08 PDT)
- Niels Geudens (Fri Jul 18 2014 - 00:55:36 PDT)
- Jason Swails (Thu Jul 17 2014 - 23:35:03 PDT)
- Niels Geudens (Thu Jul 17 2014 - 23:02:37 PDT)
[AMBER] Setting up z-constraint
- Pierpaolo Cacciotto (Tue Jul 01 2014 - 03:22:17 PDT)
[AMBER] Solvating the system with polyethylene glycol PEG
- FyD (Wed Jul 30 2014 - 02:16:30 PDT)
- Hector A. Baldoni (Mon Jul 28 2014 - 11:08:00 PDT)
- ABEL Stephane 175950 (Mon Jul 28 2014 - 11:01:04 PDT)
- Iqbal, Muhammad Sajid (Mon Jul 28 2014 - 10:07:35 PDT)
[AMBER] support of "center of mass restraint"
- Gustavo Seabra (Wed Jul 02 2014 - 10:11:10 PDT)
- Takeshi Baba (Wed Jul 02 2014 - 09:42:25 PDT)
- Ross Walker (Wed Jul 02 2014 - 09:18:33 PDT)
- Takeshi Baba (Wed Jul 02 2014 - 08:52:30 PDT)
- Jason Swails (Tue Jul 01 2014 - 08:29:11 PDT)
- Takeshi Baba (Tue Jul 01 2014 - 05:53:02 PDT)
[AMBER] Switch function in Amber
- David A Case (Thu Jul 10 2014 - 04:46:45 PDT)
- Ramuntcho Moretti (Thu Jul 10 2014 - 01:04:43 PDT)
[AMBER] Thermodynamic Integration by using pmemd
- Ying-Chieh Sun (Fri Jul 11 2014 - 05:54:19 PDT)
- Hannes Loeffler (Fri Jul 11 2014 - 03:01:57 PDT)
- Sun (Fri Jul 11 2014 - 02:33:21 PDT)
[AMBER] this a very green neophyte's question.
- Jason Swails (Thu Jul 31 2014 - 19:49:52 PDT)
- J.W. Halley (Thu Jul 31 2014 - 17:29:53 PDT)
- Jason Swails (Thu Jul 31 2014 - 16:31:26 PDT)
- J.W. Halley (Thu Jul 31 2014 - 15:31:23 PDT)
- Daniel Roe (Thu Jul 31 2014 - 15:05:03 PDT)
- Jason Swails (Thu Jul 31 2014 - 14:52:28 PDT)
- Parker de Waal (Thu Jul 31 2014 - 14:52:34 PDT)
- J.W. Halley (Thu Jul 31 2014 - 14:47:08 PDT)
- Parker de Waal (Wed Jul 30 2014 - 18:26:32 PDT)
- David A Case (Wed Jul 30 2014 - 18:18:55 PDT)
- J.W. Halley (Wed Jul 30 2014 - 17:56:49 PDT)
[AMBER] Time information lost.
- Daniel Roe (Thu Jul 03 2014 - 09:52:14 PDT)
- Domenico Marson (Thu Jul 03 2014 - 08:52:34 PDT)
[AMBER] tinker to amber format
- Jason Swails (Thu Jul 10 2014 - 03:11:50 PDT)
- Jorgen Simonsen (Wed Jul 09 2014 - 21:44:14 PDT)
[AMBER] To get resp charges of a modified central residue (not an integer).
- FyD (Thu Jul 17 2014 - 09:03:29 PDT)
- Baptiste Legrand (Thu Jul 17 2014 - 00:47:04 PDT)
- FyD (Tue Jul 15 2014 - 23:20:58 PDT)
- Jason Swails (Tue Jul 15 2014 - 09:02:00 PDT)
- Baptiste Legrand (Tue Jul 15 2014 - 08:24:52 PDT)
[AMBER] Tool in PTRAJ/CPPTRAJ to analyse residue movement
- Soumendranath Bhakat (Wed Jul 16 2014 - 05:10:22 PDT)
- anu chandra (Wed Jul 16 2014 - 05:00:25 PDT)
[AMBER] Unable to compile cuda version of amber14
- Jason Swails (Tue Jul 22 2014 - 12:57:56 PDT)
- Manikanthan Bhavaraju (Tue Jul 22 2014 - 12:45:48 PDT)
[AMBER] Understand the AMBER coordinate files
- Daniel Roe (Wed Jul 02 2014 - 07:23:13 PDT)
- Wujie Wang (Wed Jul 02 2014 - 06:32:42 PDT)
- Ross Walker (Tue Jul 01 2014 - 19:33:36 PDT)
- Wujie Wang (Tue Jul 01 2014 - 18:52:13 PDT)
[AMBER] update amber12
- Jason Swails (Mon Jul 14 2014 - 14:35:07 PDT)
- zahra khatti (Mon Jul 14 2014 - 14:05:56 PDT)
[AMBER] values of λ in Thermodynamic Integration
- David A Case (Fri Jul 25 2014 - 04:17:04 PDT)
- Ying-Chieh Sun (Thu Jul 24 2014 - 19:50:01 PDT)
- Sun (Thu Jul 24 2014 - 19:25:16 PDT)
[AMBER] Visualizing average solvent-oxygen density/occupancy from an MD trajectory
- Eric Pettersen (Thu Jul 03 2014 - 12:37:29 PDT)
- Daniel Roe (Wed Jul 02 2014 - 06:52:28 PDT)
- Abhishek Mukhopadhyay (Tue Jul 01 2014 - 17:34:10 PDT)
[AMBER] Wrong number of restrained atoms
- David A Case (Thu Jul 03 2014 - 05:22:47 PDT)
- Valentina Romano (Thu Jul 03 2014 - 02:45:01 PDT)
[AMBER] X11 error
- David A Case (Sat Jul 19 2014 - 09:04:31 PDT)
- Vidushi Sharma (Sat Jul 19 2014 - 07:00:53 PDT)
[AMBER] Z-axis coordinates
- Him Shweta (Wed Jul 23 2014 - 07:44:00 PDT)
- Daniel Roe (Wed Jul 23 2014 - 06:57:57 PDT)
- Him Shweta (Wed Jul 23 2014 - 02:34:25 PDT)
[AMBER] ZAFF-CCCH Histidine charge problem
- Yue (Thu Jul 10 2014 - 15:01:15 PDT)
- Pengfei Li (Thu Jul 10 2014 - 14:46:16 PDT)
- Christy Lee (Thu Jul 10 2014 - 11:39:50 PDT)
- Pengfei Li (Tue Jul 08 2014 - 08:12:51 PDT)
- Christy Lee (Mon Jul 07 2014 - 14:54:24 PDT)
- Pengfei Li (Mon Jul 07 2014 - 14:03:24 PDT)
- Christy Lee (Mon Jul 07 2014 - 10:18:35 PDT)
- Pengfei Li (Sun Jul 06 2014 - 09:37:26 PDT)
- Christy Lee (Thu Jul 03 2014 - 16:11:30 PDT)
- Pengfei Li (Wed Jul 02 2014 - 14:12:03 PDT)
- Christy Lee (Wed Jul 02 2014 - 14:07:43 PDT)
- Pengfei Li (Tue Jul 01 2014 - 14:10:36 PDT)
- Christy Lee (Tue Jul 01 2014 - 14:00:09 PDT)
[AMBER] Zinc parameterization
- Pengfei Li (Thu Jul 31 2014 - 18:28:59 PDT)
- Nadia Li (Thu Jul 31 2014 - 15:37:37 PDT)
- Pengfei Li (Thu Jul 31 2014 - 14:34:40 PDT)
- Nadia Li (Thu Jul 31 2014 - 09:55:01 PDT)
[q4md-fft] Issues Running, missing Ante_RED 2
- FyD (Thu Jul 10 2014 - 02:43:55 PDT)
[q4md-fft] URGENT:Orbital Hessian Not Positive Definite
- FyD (Thu Jul 10 2014 - 02:57:12 PDT)
ATP and Mg2+ parameters
- Alessandro Contini (Tue Jul 08 2014 - 08:21:14 PDT)

Amber Archive Jul 2014 by subject