Amber Archive Jan 2012: by subject

:How to get 1PLC_mod.pdb from 1PLC.pdb [TUTORIAL A1 - SECTION 1]
- David A Case (Thu Jan 19 2012 - 04:43:26 PST)
- Mahendra B Thapa (Wed Jan 18 2012 - 12:10:26 PST)
- Jason Swails (Wed Jan 18 2012 - 11:43:26 PST)
- Mahendra B Thapa (Wed Jan 18 2012 - 10:25:21 PST)
[AMBER-Developers] [AMBER] Using antechamber -Heme molecule
- case (Mon Jan 02 2012 - 06:20:19 PST)
[AMBER] :How to get 1PLC_mod.pdb from 1PLC.pdb [TUTORIAL A1 - SECTION 1]
- case (Tue Jan 17 2012 - 18:14:10 PST)
- Mahendra B Thapa (Tue Jan 17 2012 - 14:24:19 PST)
[AMBER] [q4md-fft] which fitting methods should I use for OPLS FF?
- FyD (Sat Jan 21 2012 - 09:03:37 PST)
[AMBER] [qm2_pm6_hof_module.o] Error 1
- case (Wed Jan 25 2012 - 04:52:10 PST)
- Carlos Sosa (Tue Jan 24 2012 - 14:11:51 PST)
[AMBER] ACE and NME caps
- FyD (Mon Jan 30 2012 - 23:48:25 PST)
- FyD (Tue Jan 24 2012 - 03:08:03 PST)
- Chris Bryant (Thu Jan 19 2012 - 06:35:30 PST)
- FyD (Thu Jan 19 2012 - 00:50:30 PST)
- FyD (Wed Jan 18 2012 - 23:13:23 PST)
- FyD (Wed Jan 18 2012 - 22:12:40 PST)
- Chris Bryant (Wed Jan 18 2012 - 11:18:42 PST)
- FyD (Fri Jan 13 2012 - 23:27:59 PST)
- Chris Bryant (Fri Jan 13 2012 - 11:53:57 PST)
[AMBER] adding hydrogens to protein crystal structure
- Daniel Roe (Mon Jan 23 2012 - 06:22:58 PST)
- abinayar.imsc.res.in (Mon Jan 23 2012 - 04:43:45 PST)
[AMBER] Adjusting density
- Hugh Heldenbrand (Wed Jan 18 2012 - 05:51:04 PST)
- Jason Swails (Wed Jan 18 2012 - 05:53:06 PST)
- Brian Radak (Wed Jan 18 2012 - 05:45:42 PST)
- Beale, John (Wed Jan 18 2012 - 05:28:31 PST)
[AMBER] Amber 11 installation problem
- Tales Yuan (Wed Jan 11 2012 - 17:23:51 PST)
- David A Case (Wed Jan 11 2012 - 04:34:56 PST)
- R. K. Kar (Wed Jan 11 2012 - 03:50:41 PST)
- R. K. Kar (Wed Jan 11 2012 - 00:19:59 PST)
[AMBER] Amber for monolayer
- Sindrila Dutta banik (Sat Jan 21 2012 - 19:40:41 PST)
[AMBER] amber hangs on minimization
- David A Case (Thu Jan 19 2012 - 06:12:12 PST)
- Jorgen Simonsen (Thu Jan 19 2012 - 05:10:26 PST)
- David A Case (Thu Jan 19 2012 - 04:49:11 PST)
- Jorgen Simonsen (Thu Jan 19 2012 - 01:04:08 PST)
[AMBER] Amber11 tests fail
- Jason Swails (Thu Jan 26 2012 - 12:12:11 PST)
- Massimiliano Porrini (Thu Jan 26 2012 - 11:04:30 PST)
- Jason Swails (Thu Jan 26 2012 - 10:20:07 PST)
- Massimiliano Porrini (Thu Jan 26 2012 - 09:06:34 PST)
- Jason Swails (Thu Jan 26 2012 - 06:46:34 PST)
- Massimiliano Porrini (Thu Jan 26 2012 - 05:27:41 PST)
- Jason Swails (Thu Jan 26 2012 - 05:21:27 PST)
- Massimiliano Porrini (Thu Jan 26 2012 - 04:03:22 PST)
- Jason Swails (Wed Jan 25 2012 - 12:07:46 PST)
- Massimiliano Porrini (Wed Jan 25 2012 - 11:53:37 PST)
- Massimiliano Porrini (Tue Jan 24 2012 - 03:52:46 PST)
- Massimiliano Porrini (Sun Jan 22 2012 - 01:56:09 PST)
- Jason Swails (Sat Jan 21 2012 - 07:28:41 PST)
- Massimiliano Porrini (Sat Jan 21 2012 - 04:35:22 PST)
- Massimiliano Porrini (Sat Jan 21 2012 - 04:33:50 PST)
- Jason Swails (Fri Jan 20 2012 - 11:54:14 PST)
- Massimiliano Porrini (Fri Jan 20 2012 - 10:17:11 PST)
- Jason Swails (Fri Jan 20 2012 - 06:20:19 PST)
- Massimiliano Porrini (Fri Jan 20 2012 - 05:52:48 PST)
- Jason Swails (Thu Jan 19 2012 - 11:33:47 PST)
- Massimiliano Porrini (Thu Jan 19 2012 - 11:20:44 PST)
- David A Case (Thu Jan 19 2012 - 11:06:04 PST)
- Massimiliano Porrini (Thu Jan 19 2012 - 10:05:10 PST)
[AMBER] AMBER11, pmemd.cuda: the system crashed.
- Chinh Su Tran To (Thu Jan 12 2012 - 21:23:57 PST)
- Scott Le Grand (Wed Jan 11 2012 - 08:40:03 PST)
- Chinh Su Tran To (Wed Jan 11 2012 - 00:04:48 PST)
[AMBER] AMBER9
- David A Case (Tue Jan 31 2012 - 04:51:06 PST)
- Urszula Uciechowska (Tue Jan 31 2012 - 00:25:45 PST)
[AMBER] ambertool question !!!
- Алексей Раевский (Sun Jan 15 2012 - 13:57:27 PST)
[AMBER] AMBERTOOL1.5 installation
- Hirdesh Kumar (Fri Jan 13 2012 - 05:55:07 PST)
- Ben Roberts (Fri Jan 13 2012 - 05:49:35 PST)
- Hirdesh Kumar (Fri Jan 13 2012 - 00:43:14 PST)
[AMBER] AmberTools 1.5 & Centos6
- Irene Newhouse (Wed Jan 25 2012 - 09:48:40 PST)
- Daniel Roe (Tue Jan 24 2012 - 13:22:11 PST)
- Irene Newhouse (Tue Jan 24 2012 - 13:08:10 PST)
- Jason Swails (Tue Jan 24 2012 - 12:32:05 PST)
- Ismail, Mohd F. (Tue Jan 24 2012 - 12:08:13 PST)
- Irene Newhouse (Tue Jan 24 2012 - 12:01:52 PST)
- Irene Newhouse (Tue Jan 24 2012 - 11:43:41 PST)
- Irene Newhouse (Tue Jan 24 2012 - 11:24:34 PST)
- Jason Swails (Tue Jan 24 2012 - 10:16:44 PST)
- Irene Newhouse (Tue Jan 24 2012 - 09:22:21 PST)
- Jason Swails (Mon Jan 23 2012 - 13:35:43 PST)
- Irene Newhouse (Mon Jan 23 2012 - 11:49:36 PST)
[AMBER] AmberTools Installation Error
- Jason Swails (Thu Jan 19 2012 - 06:45:49 PST)
- Hevener, Kirk (Thu Jan 19 2012 - 06:00:40 PST)
- Jason Swails (Wed Jan 18 2012 - 10:38:07 PST)
- Hevener, Kirk (Wed Jan 18 2012 - 08:59:15 PST)
[AMBER] Ambertools installation.
- Tyler Luchko (Sun Jan 08 2012 - 14:40:24 PST)
- Sudarshan Debnath (Thu Jan 05 2012 - 23:10:20 PST)
[AMBER] Ambiguous C0 atom type
- David A Case (Tue Jan 31 2012 - 06:45:46 PST)
- Vlastimil Zíma (Tue Jan 31 2012 - 05:23:47 PST)
[AMBER] anal in parallel
- David A Case (Wed Jan 25 2012 - 04:50:47 PST)
- Jio M (Wed Jan 25 2012 - 02:43:17 PST)
[AMBER] analysis in all simulation time
- Marc van der Kamp (Wed Jan 25 2012 - 04:00:33 PST)
- Atila Petrosian (Wed Jan 25 2012 - 03:09:46 PST)
- Marc van der Kamp (Wed Jan 25 2012 - 02:56:36 PST)
- Atila Petrosian (Wed Jan 25 2012 - 02:44:40 PST)
[AMBER] antechamber and parm.frosst
- thomas.fox.boehringer-ingelheim.com (Fri Jan 27 2012 - 07:19:33 PST)
[AMBER] antechamber doesn't create mol2 file
- FyD (Tue Jan 31 2012 - 00:06:59 PST)
- Dian Jiao (Mon Jan 30 2012 - 22:01:27 PST)
[AMBER] antechamber parameter file issues?
- case (Sun Jan 15 2012 - 08:33:34 PST)
- FyD (Sun Jan 15 2012 - 02:31:38 PST)
- FyD (Sun Jan 15 2012 - 02:17:22 PST)
- case (Sat Jan 14 2012 - 14:01:36 PST)
- Dean Cuebas (Sat Jan 14 2012 - 11:37:22 PST)
- case (Fri Jan 13 2012 - 18:46:00 PST)
- David A Case (Fri Jan 13 2012 - 05:12:08 PST)
- FyD (Thu Jan 12 2012 - 12:49:38 PST)
- Thomas Pochapsky (Thu Jan 12 2012 - 07:55:24 PST)
- Thomas Pochapsky (Mon Jan 09 2012 - 11:03:00 PST)
- Ben Roberts (Mon Jan 09 2012 - 10:24:57 PST)
- Thomas Pochapsky (Mon Jan 09 2012 - 10:15:40 PST)
[AMBER] bad atom type: f
- Rajesh Singh (Thu Jan 12 2012 - 08:19:07 PST)
- Jason Swails (Wed Jan 11 2012 - 13:38:43 PST)
- Bill Miller III (Wed Jan 11 2012 - 09:08:14 PST)
- Rajesh Singh (Wed Jan 11 2012 - 08:57:49 PST)
[AMBER] Building of Amber/APBS module
- Jason Swails (Fri Jan 27 2012 - 13:28:16 PST)
- peter.stauffert.boehringer-ingelheim.com (Fri Jan 27 2012 - 12:28:52 PST)
[AMBER] Building Wrapped DNA in NAB
- Ian Slaymaker (Fri Jan 27 2012 - 09:56:55 PST)
[AMBER] Calculate the cosine content of PC
- surasak chunsrivirot (Thu Jan 26 2012 - 19:57:46 PST)
- Ben Roberts (Sat Jan 21 2012 - 09:31:45 PST)
- surasak chunsrivirot (Mon Jan 16 2012 - 02:44:20 PST)
[AMBER] calculation of spectral density
- Hector A. Baldoni (Sat Jan 07 2012 - 15:23:01 PST)
- David A. Case (Sat Jan 07 2012 - 09:46:56 PST)
- Mahendra B Thapa (Thu Jan 05 2012 - 14:51:35 PST)
[AMBER] Can I set the direction of the pulling force?
- Brian Radak (Sat Jan 28 2012 - 14:52:20 PST)
- Qian Wang (Sat Jan 28 2012 - 14:37:54 PST)
- Brian Radak (Sat Jan 28 2012 - 14:24:04 PST)
- Qian Wang (Sat Jan 28 2012 - 10:58:36 PST)
[AMBER] Cannot find $AMBERHOME/test/antechamber
- Jason Swails (Wed Jan 25 2012 - 16:56:37 PST)
- bin wang (Wed Jan 25 2012 - 13:28:03 PST)
[AMBER] chamber segfault
- Hannes Loeffler (Wed Jan 18 2012 - 06:38:32 PST)
- Jason Swails (Wed Jan 18 2012 - 06:02:00 PST)
- Hannes Loeffler (Wed Jan 18 2012 - 02:44:12 PST)
[AMBER] chamber-fortran runtime error
- colvin (Wed Jan 04 2012 - 01:23:45 PST)
[AMBER] Chirality restraints in Simulated Annealing
- Josmar R. da Rocha (Thu Jan 12 2012 - 14:07:38 PST)
[AMBER] Chloroform in Amber, a rigid model?
- case (Mon Jan 02 2012 - 19:36:39 PST)
[AMBER] clarification regarding the charge on the cluster in MCPB
- kanika singal (Mon Jan 09 2012 - 01:15:49 PST)
[AMBER] closest water
- George Tzotzos (Thu Jan 12 2012 - 10:57:28 PST)
- Daniel Roe (Thu Jan 12 2012 - 10:21:16 PST)
- George Tzotzos (Thu Jan 12 2012 - 09:29:18 PST)
[AMBER] clustering in ptraj doesn't create mdrcd and pdb files
- Andrew Voronkov (Mon Jan 30 2012 - 02:29:29 PST)
[AMBER] combination of CHAMBER prmtop and pmemd.cuda is causing serious instability
- Marc van der Kamp (Mon Jan 23 2012 - 06:00:23 PST)
- Ben Roberts (Sat Jan 21 2012 - 09:23:25 PST)
- Scott Le Grand (Thu Jan 12 2012 - 16:45:50 PST)
- Marc van der Kamp (Thu Jan 12 2012 - 07:54:06 PST)
- Ben Roberts (Thu Jan 12 2012 - 07:53:30 PST)
- Scott Le Grand (Thu Jan 12 2012 - 07:47:47 PST)
- Scott Le Grand (Wed Jan 11 2012 - 19:03:17 PST)
- Scott Le Grand (Wed Jan 11 2012 - 16:14:21 PST)
- Joshua Adelman (Wed Jan 11 2012 - 10:51:40 PST)
- Ross Walker (Wed Jan 11 2012 - 10:42:11 PST)
- Joshua Adelman (Wed Jan 11 2012 - 08:58:47 PST)
- Marc van der Kamp (Wed Jan 11 2012 - 08:53:08 PST)
[AMBER] compiler-dependent error: "Invalid atom or grouping specified in restraint."
- Jan-Philip Gehrcke (Tue Jan 31 2012 - 02:49:47 PST)
- David A Case (Mon Jan 30 2012 - 14:32:09 PST)
- Jan-Philip Gehrcke (Mon Jan 30 2012 - 08:21:25 PST)
- Jason Swails (Fri Jan 27 2012 - 10:15:12 PST)
- Jan-Philip Gehrcke (Fri Jan 27 2012 - 08:06:25 PST)
- Jason Swails (Fri Jan 27 2012 - 07:28:24 PST)
- Jan-Philip Gehrcke (Fri Jan 27 2012 - 05:51:27 PST)
[AMBER] Constant pH
- Jason Swails (Tue Jan 31 2012 - 07:14:51 PST)
- George Tzotzos (Tue Jan 31 2012 - 05:08:20 PST)
- Jason Swails (Tue Jan 31 2012 - 05:00:15 PST)
- George Tzotzos (Tue Jan 31 2012 - 04:26:04 PST)
[AMBER] Conversion of binary velocity files to pdb style
- Ganesh Kamath (Tue Jan 17 2012 - 09:22:14 PST)
[AMBER] creating input files for a protein connected to a fatty acid chain - angle parameters missing error
- FyD (Tue Jan 24 2012 - 23:42:09 PST)
- Amir Marcovitz (Tue Jan 24 2012 - 13:06:37 PST)
[AMBER] CUDA PMEMD on Longhorn: MPI_Win_free fatal error
- Ben Roberts (Tue Jan 03 2012 - 16:24:18 PST)
- Ross Walker (Tue Jan 03 2012 - 13:18:59 PST)
- Ben Roberts (Tue Jan 03 2012 - 13:10:29 PST)
[AMBER] Deleting Cymal-6 from PDB
- Chris Bryant (Wed Jan 04 2012 - 10:20:52 PST)
[AMBER] divcon: error while loading shared libraries: libvml.so: cannot open shared object file
- FyD (Thu Jan 26 2012 - 00:06:21 PST)
- rainy908 (Wed Jan 25 2012 - 11:25:54 PST)
- rainy908 (Wed Jan 25 2012 - 11:21:16 PST)
[AMBER] Editing structure via Xleap
- Bill Ross (Sun Jan 29 2012 - 11:07:57 PST)
- FyD (Sat Jan 28 2012 - 09:03:28 PST)
- case (Sat Jan 28 2012 - 06:39:31 PST)
- James Starlight (Sat Jan 28 2012 - 00:44:11 PST)
- FyD (Fri Jan 27 2012 - 23:19:35 PST)
- Dean Cuebas (Fri Jan 27 2012 - 12:55:31 PST)
- David A Case (Fri Jan 27 2012 - 12:21:18 PST)
- James Starlight (Fri Jan 27 2012 - 10:28:06 PST)
[AMBER] energy decomposition equation
- Jason Swails (Tue Jan 24 2012 - 10:25:31 PST)
- Anglea A. (Tue Jan 24 2012 - 08:53:13 PST)
[AMBER] error message for installing amber 10
- David A Case (Thu Jan 19 2012 - 06:15:10 PST)
- Per Jr. Greisen (Thu Jan 19 2012 - 05:57:04 PST)
- Terry (Thu Jan 19 2012 - 05:30:17 PST)
- David A Case (Thu Jan 19 2012 - 05:16:03 PST)
- Per Jr. Greisen (Thu Jan 19 2012 - 03:46:24 PST)
[AMBER] Error while compiling AMBER11
- Jason Swails (Wed Jan 04 2012 - 12:56:14 PST)
- Jason Swails (Wed Jan 04 2012 - 11:57:31 PST)
- Lucas A. Defelipe (Wed Jan 04 2012 - 08:17:30 PST)
[AMBER] fortran error during installation
- case (Tue Jan 31 2012 - 18:28:59 PST)
- Mettu, Ramgopal (Tue Jan 31 2012 - 07:36:26 PST)
- Jason Swails (Mon Jan 30 2012 - 19:53:15 PST)
- Mettu, Ramgopal (Mon Jan 30 2012 - 18:35:16 PST)
- Bill Ross (Mon Jan 30 2012 - 17:27:26 PST)
- Mettu, Ramgopal (Mon Jan 30 2012 - 17:16:44 PST)
[AMBER] free energy calculation: turn off the VDW interaction between ligand and protein
- Marek Maly (Thu Jan 26 2012 - 09:30:53 PST)
- steinbrt.rci.rutgers.edu (Thu Jan 26 2012 - 09:18:03 PST)
- Marek Maly (Thu Jan 26 2012 - 08:34:59 PST)
- steinbrt.rci.rutgers.edu (Thu Jan 26 2012 - 07:43:28 PST)
- Marek Maly (Mon Jan 23 2012 - 16:17:13 PST)
- steinbrt.rci.rutgers.edu (Fri Jan 06 2012 - 08:06:51 PST)
- Marek Maly (Fri Jan 06 2012 - 07:57:52 PST)
- steinbrt.rci.rutgers.edu (Thu Jan 05 2012 - 01:49:15 PST)
- bxiong (Wed Jan 04 2012 - 16:31:32 PST)
- steinbrt.rci.rutgers.edu (Mon Jan 02 2012 - 03:52:27 PST)
- bxiong (Sun Jan 01 2012 - 22:32:53 PST)
[AMBER] free energy calculation: turn off the VDW interactionbetween ligand and protein
- steinbrt.rci.rutgers.edu (Wed Jan 04 2012 - 01:45:30 PST)
- Bing Xiong (Tue Jan 03 2012 - 16:21:49 PST)
[AMBER] Free Energy Calculations of Potassium and Chloride
- Sai Kumar Ramadugu (Tue Jan 31 2012 - 09:16:00 PST)
- steinbrt.rci.rutgers.edu (Tue Jan 31 2012 - 00:25:50 PST)
- Sai Kumar Ramadugu (Mon Jan 30 2012 - 14:14:07 PST)
- steinbrt.rci.rutgers.edu (Thu Jan 26 2012 - 07:39:31 PST)
- David A Case (Thu Jan 26 2012 - 05:07:41 PST)
- Sai Kumar Ramadugu (Wed Jan 25 2012 - 10:14:01 PST)
- Sai Kumar Ramadugu (Tue Jan 24 2012 - 14:58:37 PST)
- David A Case (Thu Jan 19 2012 - 12:53:25 PST)
- Sai Kumar Ramadugu (Thu Jan 19 2012 - 11:22:39 PST)
- steinbrt.rci.rutgers.edu (Thu Jan 19 2012 - 02:49:18 PST)
- Sai Kumar Ramadugu (Wed Jan 18 2012 - 11:14:44 PST)
- steinbrt.rci.rutgers.edu (Wed Jan 18 2012 - 10:54:59 PST)
- Sai Kumar Ramadugu (Wed Jan 18 2012 - 10:43:25 PST)
- steinbrt.rci.rutgers.edu (Wed Jan 18 2012 - 10:15:25 PST)
- Sai Kumar Ramadugu (Wed Jan 18 2012 - 09:32:34 PST)
- steinbrt.rci.rutgers.edu (Fri Jan 13 2012 - 05:28:31 PST)
- Sai Kumar Ramadugu (Thu Jan 12 2012 - 11:06:15 PST)
- Sai Kumar Ramadugu (Wed Jan 04 2012 - 12:27:29 PST)
- steinbrt.rci.rutgers.edu (Tue Jan 03 2012 - 12:37:44 PST)
- Sai Kumar Ramadugu (Tue Jan 03 2012 - 11:58:51 PST)
[AMBER] Gas Phase Simulations in PMEMD
- Aron Broom (Fri Jan 13 2012 - 21:21:43 PST)
- Ross Walker (Thu Jan 05 2012 - 14:15:07 PST)
- Aron Broom (Thu Jan 05 2012 - 13:55:10 PST)
- George M Giambasu (Thu Jan 05 2012 - 13:29:47 PST)
- Aron Broom (Thu Jan 05 2012 - 13:20:34 PST)
[AMBER] GBSA decomposition per reside
- SANCHEZ MURCIA, PEDRO ALEJANDRO (Tue Jan 24 2012 - 13:53:09 PST)
- SANCHEZ MURCIA, PEDRO ALEJANDRO (Tue Jan 24 2012 - 13:49:18 PST)
- SANCHEZ MURCIA, PEDRO ALEJANDRO (Tue Jan 24 2012 - 13:48:58 PST)
[AMBER] Glycine in QM region
- Fernando Martín García (Thu Jan 19 2012 - 02:36:18 PST)
[AMBER] gpu information
- Elisa Frezza (Mon Jan 09 2012 - 07:39:43 PST)
- Adrian Roitberg (Mon Jan 09 2012 - 07:03:18 PST)
- Elisa Frezza (Mon Jan 09 2012 - 07:01:14 PST)
[AMBER] how to obtain prmtop and inpcrd files truely from initial pdb file?
- steinbrt.rci.rutgers.edu (Tue Jan 31 2012 - 07:25:57 PST)
- leila karami (Tue Jan 31 2012 - 06:09:07 PST)
[AMBER] how to set the dist.RST file in SMD using Amber11?
- Adrian Roitberg (Tue Jan 03 2012 - 17:50:50 PST)
- pxc.cqu.edu.cn (Tue Jan 03 2012 - 17:20:56 PST)
- 潘显超 (Mon Jan 02 2012 - 23:12:00 PST)
[AMBER] i7 extreme for Amber GPU computing?
- Jan-Philip Gehrcke (Wed Jan 11 2012 - 07:51:29 PST)
- Ross Walker (Wed Jan 11 2012 - 07:03:53 PST)
- Jan-Philip Gehrcke (Wed Jan 11 2012 - 02:05:24 PST)
- Aron Broom (Tue Jan 10 2012 - 21:14:33 PST)
- filip fratev (Tue Jan 10 2012 - 15:29:38 PST)
- filip fratev (Tue Jan 10 2012 - 15:24:14 PST)
- Aron Broom (Tue Jan 10 2012 - 14:39:24 PST)
- Raik Grünberg (Tue Jan 10 2012 - 12:34:32 PST)
[AMBER] improper torsions in old prep form
- Bill Ross (Tue Jan 10 2012 - 12:00:52 PST)
- David A Case (Tue Jan 10 2012 - 06:59:28 PST)
- Andrew Voronkov (Tue Jan 10 2012 - 05:09:15 PST)
[AMBER] installation
- mehdi bagherpoor (Sun Jan 22 2012 - 12:45:20 PST)
- case (Sun Jan 22 2012 - 12:36:00 PST)
- subrata paul (Sun Jan 22 2012 - 08:27:37 PST)
- Jason Swails (Sat Jan 07 2012 - 10:13:29 PST)
- David A. Case (Sat Jan 07 2012 - 09:51:01 PST)
- subrata paul (Sat Jan 07 2012 - 02:55:05 PST)
[AMBER] installation amber10
- David A Case (Tue Jan 10 2012 - 07:01:28 PST)
- subrata paul (Tue Jan 10 2012 - 05:46:11 PST)
[AMBER] installation of sander.MPI
- David A Case (Thu Jan 26 2012 - 07:20:24 PST)
- Jorgen Simonsen (Thu Jan 26 2012 - 06:19:16 PST)
- Ross Walker (Wed Jan 25 2012 - 15:10:22 PST)
- Jorgen Simonsen (Wed Jan 25 2012 - 12:38:58 PST)
- Jason Swails (Wed Jan 25 2012 - 12:04:31 PST)
- Jorgen Simonsen (Wed Jan 25 2012 - 12:10:51 PST)
- Jason Swails (Wed Jan 25 2012 - 12:16:22 PST)
- Jorgen Simonsen (Wed Jan 25 2012 - 11:48:16 PST)
- Jason Swails (Wed Jan 25 2012 - 11:23:34 PST)
- Jorgen Simonsen (Wed Jan 25 2012 - 11:09:46 PST)
- Jason Swails (Wed Jan 25 2012 - 09:56:13 PST)
- Jorgen Simonsen (Wed Jan 25 2012 - 09:18:15 PST)
[AMBER] Issue with HowToCompileAmberTools1.5AndAMBER11WithUbuntu10.04.3LTS.html
- Mark Williamson (Fri Jan 13 2012 - 06:53:46 PST)
- Jan-Philip Gehrcke (Fri Jan 13 2012 - 06:46:53 PST)
- Jan-Philip Gehrcke (Fri Jan 13 2012 - 06:34:06 PST)
[AMBER] loading of fullerene2160
- FyD (Sun Jan 29 2012 - 22:26:59 PST)
- gargi borgohai (Sun Jan 29 2012 - 20:49:41 PST)
- FyD (Sun Jan 29 2012 - 10:09:04 PST)
- gargi borgohai (Sat Jan 28 2012 - 09:49:03 PST)
[AMBER] makeDIST_RST command problem
- case (Tue Jan 31 2012 - 18:33:47 PST)
- Olena Dobrovolska (Tue Jan 31 2012 - 07:33:09 PST)
- David A Case (Tue Jan 31 2012 - 06:35:39 PST)
- Olena Dobrovolska (Tue Jan 31 2012 - 05:03:05 PST)
- David A Case (Tue Jan 31 2012 - 04:47:42 PST)
- Olena Dobrovolska (Tue Jan 31 2012 - 01:11:24 PST)
- David A Case (Mon Jan 30 2012 - 14:37:28 PST)
- Olena Dobrovolska (Mon Jan 30 2012 - 08:59:55 PST)
- David A Case (Fri Jan 27 2012 - 11:58:58 PST)
- Olena Dobrovolska (Fri Jan 27 2012 - 06:00:55 PST)
- David A Case (Thu Jan 26 2012 - 13:34:51 PST)
- Olena Dobrovolska (Thu Jan 26 2012 - 08:39:05 PST)
[AMBER] MCPB : addFragment in case of CYM
- Ben Roberts (Sat Jan 21 2012 - 09:38:50 PST)
- kanika singal (Tue Jan 17 2012 - 22:50:08 PST)
[AMBER] MCPB: error Pls help
- Ben Roberts (Mon Jan 23 2012 - 12:06:32 PST)
- kanika singal (Sat Jan 21 2012 - 23:26:48 PST)
- kanika singal (Sat Jan 21 2012 - 02:18:56 PST)
- Martin Peters (Fri Jan 20 2012 - 07:56:45 PST)
- kanika singal (Fri Jan 20 2012 - 06:46:27 PST)
[AMBER] MD trajectory extraction using ptraj
- Lianhu Wei (Fri Jan 20 2012 - 11:54:56 PST)
- Lianhu Wei (Fri Jan 20 2012 - 09:10:48 PST)
- Daniel Roe (Fri Jan 20 2012 - 07:50:39 PST)
- Lianhu Wei (Fri Jan 20 2012 - 07:25:09 PST)
[AMBER] md.crd file is very large!
- Jason Swails (Mon Jan 23 2012 - 07:22:37 PST)
- Daniel Sindhikara (Mon Jan 23 2012 - 01:18:24 PST)
- john Kerk (Mon Jan 23 2012 - 01:10:53 PST)
- Daniel Sindhikara (Mon Jan 23 2012 - 00:32:54 PST)
- john Kerk (Mon Jan 23 2012 - 00:22:25 PST)
[AMBER] Minimization problem for a homotrimer of small molecules
- Jason Swails (Wed Jan 18 2012 - 07:55:09 PST)
- Baptiste Legrand (Wed Jan 18 2012 - 06:41:53 PST)
- Jason Swails (Wed Jan 18 2012 - 06:08:03 PST)
- Baptiste Legrand (Wed Jan 18 2012 - 03:22:36 PST)
[AMBER] MMPBSA analysis
- vaibhav dixit (Thu Jan 19 2012 - 04:44:58 PST)
[AMBER] Molecular Modelling Workshop 2012 in Erlangen, Germany
- Harald Lanig (Mon Jan 23 2012 - 08:15:17 PST)
[AMBER] mpi4py installation for mmpbsa_py
- Jason Swails (Sat Jan 14 2012 - 16:59:34 PST)
- Vlad Cojocaru (Sat Jan 14 2012 - 14:39:58 PST)
[AMBER] mtkpp: parameters in metals.frcmod
- Patrick G Blachly (Tue Jan 10 2012 - 14:52:05 PST)
[AMBER] nab string functions
- David A Case (Mon Jan 16 2012 - 05:51:20 PST)
- Daniel Roe (Sun Jan 15 2012 - 17:51:03 PST)
- M. L. Dodson (Sun Jan 15 2012 - 17:24:48 PST)
- M. L. Dodson (Sun Jan 15 2012 - 17:17:31 PST)
- Daniel Roe (Sun Jan 15 2012 - 16:55:33 PST)
- M. L. Dodson (Sun Jan 15 2012 - 16:34:33 PST)
[AMBER] negative DeltaGsolv in MMPBSA
- vaibhav dixit (Thu Jan 19 2012 - 07:49:42 PST)
[AMBER] nmode error
- Cenk $Jenk$ Andac (Wed Jan 18 2012 - 05:19:42 PST)
- Urszula Uciechowska (Wed Jan 18 2012 - 03:42:30 PST)
[AMBER] NMODE list index out of range error
- Sangeetha B (Mon Jan 30 2012 - 20:26:18 PST)
- Jason Swails (Sat Jan 28 2012 - 07:42:42 PST)
- Sangeetha B (Fri Jan 27 2012 - 22:43:41 PST)
[AMBER] No leap in ambertool11
- Ben Roberts (Fri Jan 06 2012 - 08:02:57 PST)
- nicholus bhattacharjee (Fri Jan 06 2012 - 05:36:11 PST)
[AMBER] Origin of calculated system temperature (in mdout file)
- David A. Case (Sat Jan 07 2012 - 09:39:14 PST)
- Jan-Philip Gehrcke (Fri Jan 06 2012 - 07:05:21 PST)
- Brian Radak (Thu Jan 05 2012 - 12:50:10 PST)
- Jan-Philip Gehrcke (Thu Jan 05 2012 - 09:01:56 PST)
[AMBER] peptide+sugar
- FyD (Wed Jan 25 2012 - 07:22:05 PST)
- Urszula Uciechowska (Wed Jan 25 2012 - 04:44:51 PST)
[AMBER] PES for dialanine
- Ye MEI (Fri Jan 13 2012 - 07:11:09 PST)
- Carlos Simmerling (Fri Jan 13 2012 - 06:32:46 PST)
- Ye MEI (Fri Jan 13 2012 - 06:04:00 PST)
- Daniel Roe (Fri Jan 13 2012 - 05:15:30 PST)
- Ye MEI (Thu Jan 12 2012 - 19:25:51 PST)
[AMBER] PMEMD installation error
- hari krishna (Mon Jan 09 2012 - 21:30:30 PST)
- David A Case (Mon Jan 09 2012 - 05:52:19 PST)
- hari krishna (Tue Jan 03 2012 - 21:05:45 PST)
[AMBER] PMEMD parallelization on Ubuntu Lucid
- Mark Williamson (Mon Jan 09 2012 - 06:52:12 PST)
[AMBER] positive van der Waal energy and comparison
- David A Case (Thu Jan 26 2012 - 05:13:39 PST)
- Jio M (Sat Jan 21 2012 - 02:34:13 PST)
[AMBER] Preparation of the topology file by means of Antechamber
- FyD (Mon Jan 30 2012 - 23:58:32 PST)
- James Starlight (Mon Jan 30 2012 - 22:11:44 PST)
- Jason Swails (Mon Jan 30 2012 - 07:40:54 PST)
- James Starlight (Sun Jan 29 2012 - 09:12:21 PST)
[AMBER] Problem during pnetcdf build on CentOS 5
- David A Case (Tue Jan 31 2012 - 05:01:46 PST)
- Jan-Philip Gehrcke (Tue Jan 31 2012 - 02:47:41 PST)
[AMBER] problem python compiling when install AmberTools 1.5
- Jason Swails (Thu Jan 26 2012 - 09:04:46 PST)
- setyanto md (Thu Jan 26 2012 - 07:13:30 PST)
- Jason Swails (Thu Jan 26 2012 - 06:45:55 PST)
- setyanto md (Thu Jan 26 2012 - 06:28:18 PST)
[AMBER] Problem regarding Molecular Dynamics simulation of DNA using Parmbsc0 and ff99sb
- Thomas Cheatham III (Tue Jan 17 2012 - 14:49:21 PST)
- steinbrt.rci.rutgers.edu (Tue Jan 17 2012 - 06:31:01 PST)
- Muhammad Khaled Tumbi (Tue Jan 17 2012 - 05:12:51 PST)
[AMBER] Problem related to the order parameter
- Sindrila Dutta banik (Wed Jan 25 2012 - 07:47:23 PST)
[AMBER] Problem with clashing solvent molecules with solvateoct
- Daniel Sindhikara (Thu Jan 05 2012 - 21:48:16 PST)
- Gonzalo Jimenez Oses (Thu Jan 05 2012 - 09:07:33 PST)
[AMBER] problem with ester bond between side chains
- moitrayee.mbu.iisc.ernet.in (Tue Jan 10 2012 - 02:33:17 PST)
[AMBER] Problem with generating topology file using tleap
- Sangita Kachhap (Thu Jan 05 2012 - 06:41:52 PST)
- Devlina Chakravarty (Thu Jan 05 2012 - 00:19:14 PST)
[AMBER] Problem with magnesium ions using FF10 in leap
- Jesper Sørensen (Wed Jan 18 2012 - 12:42:58 PST)
- David A Case (Wed Jan 18 2012 - 12:19:43 PST)
- Jason Swails (Wed Jan 18 2012 - 10:40:39 PST)
- Jesper Sørensen (Wed Jan 18 2012 - 09:17:39 PST)
- David A Case (Wed Jan 18 2012 - 08:49:28 PST)
- Jesper Sørensen (Wed Jan 18 2012 - 08:33:50 PST)
- Jesper Sørensen (Wed Jan 18 2012 - 08:05:56 PST)
[AMBER] Problem with oxygens bonded to three atoms in metal clusters
- Ben Roberts (Thu Jan 05 2012 - 13:25:27 PST)
- Brian Radak (Thu Jan 05 2012 - 13:00:32 PST)
- Ben Roberts (Wed Jan 04 2012 - 14:53:54 PST)
- Ben Roberts (Wed Jan 04 2012 - 14:03:50 PST)
[AMBER] Problem with PB calculation using ff99SBildn: PB Bomb in pb_aaradi(): No radius assigned for atom
- Ray Luo, Ph.D. (Thu Jan 05 2012 - 15:01:50 PST)
- Ryan Pavlovicz (Thu Jan 05 2012 - 09:53:31 PST)
[AMBER] problem with SASA calculation
- Maryam Hamzehee (Mon Jan 30 2012 - 03:23:38 PST)
- Maryam Hamzehee (Sun Jan 29 2012 - 05:31:15 PST)
- case (Sat Jan 28 2012 - 09:43:58 PST)
- Jason Swails (Sat Jan 28 2012 - 07:32:56 PST)
- Daniel Roe (Sat Jan 28 2012 - 07:29:22 PST)
- case (Sat Jan 28 2012 - 06:47:57 PST)
- Maryam Hamzehee (Sat Jan 28 2012 - 01:21:42 PST)
[AMBER] Problem with xleap installation
- Cristina Airoldi (Fri Jan 13 2012 - 06:51:20 PST)
- Josmar R. da Rocha (Fri Jan 13 2012 - 06:01:23 PST)
- Cristina Airoldi (Fri Jan 13 2012 - 05:31:23 PST)
- Cristina Airoldi (Fri Jan 13 2012 - 02:55:09 PST)
- Ye MEI (Fri Jan 13 2012 - 02:34:44 PST)
- Cristina Airoldi (Fri Jan 13 2012 - 02:20:12 PST)
[AMBER] Problems with amber topology in NAMD
- George M Giambasu (Mon Jan 09 2012 - 10:26:26 PST)
- Osman, Roman (Mon Jan 09 2012 - 10:16:59 PST)
- Aron Broom (Mon Jan 09 2012 - 10:02:25 PST)
- Osman, Roman (Mon Jan 09 2012 - 09:46:55 PST)
- Ben Roberts (Mon Jan 09 2012 - 09:44:39 PST)
- Adrian Roitberg (Mon Jan 09 2012 - 09:41:33 PST)
- Osman, Roman (Mon Jan 09 2012 - 09:38:11 PST)
[AMBER] ptaj: RMSD
- George Tzotzos (Fri Jan 06 2012 - 10:15:16 PST)
- Astrid Maaß (Fri Jan 06 2012 - 05:49:13 PST)
- vaibhav dixit (Wed Jan 04 2012 - 22:00:31 PST)
- George Tzotzos (Wed Jan 04 2012 - 10:15:38 PST)
[AMBER] ptraj contacts output query
- Rajeswari A. (Sat Jan 21 2012 - 04:04:41 PST)
[AMBER] ptraj.MPI
- Jason Swails (Tue Jan 31 2012 - 19:22:03 PST)
- case (Tue Jan 31 2012 - 18:35:32 PST)
- Sel Ercan (Tue Jan 31 2012 - 08:41:13 PST)
- David A Case (Tue Jan 31 2012 - 05:03:27 PST)
- Sel Ercan (Tue Jan 31 2012 - 03:55:12 PST)
[AMBER] q4md: When using red, it outputs incorrect primary amine geometry as tetrahedral instead of trigonal planar
- g t (Thu Jan 12 2012 - 03:23:51 PST)
[AMBER] Question related to the B factor
- Bill Ross (Mon Jan 16 2012 - 11:46:27 PST)
- Adrian Roitberg (Mon Jan 16 2012 - 09:54:20 PST)
- Sindrila Dutta banik (Mon Jan 16 2012 - 09:43:15 PST)
- Bill Ross (Sat Jan 14 2012 - 11:25:36 PST)
- Sindrila Dutta banik (Sat Jan 14 2012 - 09:03:19 PST)
[AMBER] Question related to the Force Field and water
- case (Sat Jan 14 2012 - 06:07:03 PST)
- Sindrila Dutta banik (Sat Jan 14 2012 - 00:56:05 PST)
[AMBER] R.E.D. Server / Antechamber problem
- FyD (Sat Jan 07 2012 - 00:32:14 PST)
- Ben Ahmady (Fri Jan 06 2012 - 12:28:31 PST)
- FyD (Fri Jan 06 2012 - 00:52:59 PST)
- Ben Ahmady (Thu Jan 05 2012 - 09:53:50 PST)
[AMBER] Regarding solvating a protein using amber
- Daniel Sindhikara (Sun Jan 01 2012 - 22:30:50 PST)
[AMBER] Review MD sampling techniques
- Matthew Zwier (Thu Jan 26 2012 - 05:20:56 PST)
- Thomas Exner (Wed Jan 25 2012 - 09:57:55 PST)
[AMBER] rism1d solvent models
- Meli Massimiliano (Thu Jan 12 2012 - 09:32:30 PST)
- Tyler Luchko (Thu Jan 12 2012 - 08:19:19 PST)
- Meli Massimiliano (Thu Jan 12 2012 - 07:27:39 PST)
[AMBER] rounding issue
- Jason Swails (Wed Jan 04 2012 - 07:49:13 PST)
- Dmitry Mukha (Wed Jan 04 2012 - 00:04:21 PST)
- Ross Walker (Tue Jan 03 2012 - 10:50:48 PST)
- Dmitry Mukha (Tue Jan 03 2012 - 08:07:36 PST)
- Adrian Roitberg (Tue Jan 03 2012 - 07:54:37 PST)
- Dmitry Mukha (Tue Jan 03 2012 - 07:49:41 PST)
[AMBER] Running NAB
- Jason Swails (Thu Jan 12 2012 - 19:32:57 PST)
- Aleksandra Skoric (Thu Jan 12 2012 - 14:25:40 PST)
[AMBER] SANDER NMR violations
- David A. Case (Sat Jan 07 2012 - 09:44:03 PST)
- Charles Johnson (Thu Jan 05 2012 - 13:40:21 PST)
[AMBER] Ser/Thr phosphorylation support in AMBER-11
- steinbrt.rci.rutgers.edu (Mon Jan 02 2012 - 10:06:14 PST)
- Michael Petukhov (Mon Jan 02 2012 - 09:58:24 PST)
[AMBER] simulation with implicit solvent runs longer than explicit?
- Victor Ma (Wed Jan 18 2012 - 14:40:31 PST)
- Adrian Roitberg (Wed Jan 18 2012 - 14:22:35 PST)
- Adrian Roitberg (Wed Jan 18 2012 - 14:22:16 PST)
- Victor Ma (Wed Jan 18 2012 - 14:11:21 PST)
- Aron Broom (Wed Jan 18 2012 - 14:01:35 PST)
- Victor Ma (Wed Jan 18 2012 - 13:48:01 PST)
[AMBER] SMD: Segmentation fault
- George Tzotzos (Tue Jan 31 2012 - 10:32:28 PST)
[AMBER] Solvate a system in AMBER 11.
- Daniel Sindhikara (Sat Dec 31 2011 - 17:27:32 PST)
[AMBER] solvation in a cubic box
- David A Case (Wed Jan 25 2012 - 06:39:18 PST)
- shahab shariati (Wed Jan 25 2012 - 05:11:49 PST)
[AMBER] Solvation of a system in Amber11
- Tyler Luchko (Tue Jan 10 2012 - 22:38:57 PST)
- Sudarshan Debnath (Tue Jan 10 2012 - 22:07:25 PST)
[AMBER] Solvation of a system in AMBER11.
- Tyler Luchko (Thu Jan 05 2012 - 16:46:41 PST)
- Daniel Sindhikara (Thu Jan 05 2012 - 16:32:15 PST)
- Sudarshan Debnath (Thu Jan 05 2012 - 04:52:07 PST)
- Daniel Sindhikara (Wed Jan 04 2012 - 20:39:55 PST)
- Sudarshan Debnath (Wed Jan 04 2012 - 20:19:37 PST)
[AMBER] Splitting cyclic molecule into QM and MM parts
- Brian Radak (Sat Jan 28 2012 - 13:50:34 PST)
- Dmitry Nilov (Sat Jan 28 2012 - 01:33:53 PST)
- Brian Radak (Fri Jan 27 2012 - 07:51:09 PST)
- Dmitry Nilov (Fri Jan 27 2012 - 05:12:33 PST)
[AMBER] Steered Molecular Dynamics: some questions
- Dwight McGee (Tue Jan 31 2012 - 11:15:31 PST)
- George Tzotzos (Tue Jan 31 2012 - 09:44:23 PST)
- George Tzotzos (Tue Jan 24 2012 - 23:39:21 PST)
- Dwight McGee (Tue Jan 24 2012 - 18:06:57 PST)
- George Tzotzos (Tue Jan 24 2012 - 05:40:57 PST)
[AMBER] strip water and save new trajectory
- Hirdesh Kumar (Sun Jan 15 2012 - 20:36:53 PST)
- Jason Swails (Sat Jan 14 2012 - 06:37:06 PST)
- Hirdesh Kumar (Sat Jan 14 2012 - 06:27:49 PST)
[AMBER] studying the pH-dependent stability of a "large" homodimeric protein
- Jan-Philip Gehrcke (Tue Jan 03 2012 - 07:45:16 PST)
[AMBER] superimpose on first snapshot
- Simon Becker (Mon Jan 23 2012 - 23:35:37 PST)
- Daniel Roe (Mon Jan 23 2012 - 08:02:31 PST)
- Simon Becker (Mon Jan 23 2012 - 06:05:03 PST)
[AMBER] syntax error in ambpdb
- Bill Ross (Sun Jan 29 2012 - 11:40:13 PST)
- case (Sun Jan 29 2012 - 09:05:23 PST)
- mehdi bagherpoor (Sun Jan 29 2012 - 08:52:36 PST)
- leila karami (Sun Jan 29 2012 - 03:01:38 PST)
[AMBER] system breaks during simulation
- Francesco Oteri (Sat Jan 07 2012 - 11:29:44 PST)
- Ben Roberts (Sat Jan 07 2012 - 11:28:45 PST)
- moitrayee.mbu.iisc.ernet.in (Sat Jan 07 2012 - 11:20:16 PST)
[AMBER] temperature and pressure coupling
- Marc van der Kamp (Wed Jan 25 2012 - 04:03:29 PST)
- shahab shariati (Wed Jan 25 2012 - 03:53:45 PST)
[AMBER] The per-partes ligand decoupling as the alternative to simultaneous decouplig of all ligand atoms with use of restraints ?
- Marek Maly (Tue Jan 03 2012 - 10:33:43 PST)
- Adrian Roitberg (Tue Jan 03 2012 - 07:22:59 PST)
- steinbrt.rci.rutgers.edu (Tue Jan 03 2012 - 01:26:37 PST)
- case (Mon Jan 02 2012 - 19:38:18 PST)
- Marek Maly (Mon Jan 02 2012 - 17:07:23 PST)
[AMBER] tleap/xleap segmenatation fault
- Marina Grabar Branilović (Mon Jan 16 2012 - 03:13:13 PST)
- Ben Roberts (Fri Jan 13 2012 - 05:48:34 PST)
- Marina Grabar Branilović (Fri Jan 13 2012 - 05:30:21 PST)
[AMBER] Upcoming of Amber Workshop in USA
- manikanthan bhavaraju (Fri Jan 13 2012 - 09:45:25 PST)
[AMBER] Using antechamber -Heme molecule
- יוכבד (Mon Jan 02 2012 - 03:24:26 PST)
[AMBER] Using glycam06 under Amber8
- Lachele Foley (Lists) (Mon Jan 16 2012 - 10:52:14 PST)
- john Kerk (Sun Jan 15 2012 - 23:42:00 PST)
- Lachele Foley (Lists) (Sun Jan 15 2012 - 11:07:58 PST)
- john Kerk (Sun Jan 15 2012 - 10:45:19 PST)
[AMBER] velocities in restart files taken from ptraj
- Bill Ross (Tue Jan 24 2012 - 21:10:40 PST)
- Jason Swails (Tue Jan 24 2012 - 20:37:50 PST)
- Thomas Cheatham (Tue Jan 24 2012 - 17:28:51 PST)
- Sidney Elmer (Tue Jan 24 2012 - 17:23:42 PST)
- Bill Ross (Tue Jan 24 2012 - 16:29:05 PST)
- Sidney Elmer (Tue Jan 24 2012 - 16:14:02 PST)
[AMBER] Water considered in Amber11.
- Jason Swails (Sat Jan 14 2012 - 06:31:21 PST)
- Sudarshan Debnath (Sat Jan 14 2012 - 00:44:25 PST)
[AMBER] water molecules within a distance cutoff; ptraj analysis
- Jason Swails (Sat Jan 14 2012 - 06:49:51 PST)
- kanika singal (Fri Jan 13 2012 - 23:57:14 PST)
[AMBER] What is the parameters for Mg2+?
- Jesper Sørensen (Mon Jan 16 2012 - 21:29:35 PST)
- Brian Radak (Mon Jan 16 2012 - 20:08:30 PST)
- Jesper Sørensen (Mon Jan 16 2012 - 18:30:58 PST)
[AMBER] which fitting methods should I use for OPLS FF?
- Albert (Fri Jan 20 2012 - 22:23:03 PST)
[AMBER] Which method is the best way to solve metalloprotein?MCPB or Only consider Electrostatic and VDW
- Ben Roberts (Thu Jan 12 2012 - 05:55:49 PST)
- JiYuan Liu (Wed Jan 04 2012 - 00:07:08 PST)
[AMBER] Workshop and Tutorial Announcement: State-of-the-Art Algorithms for Molecular Dynamics, April 30th to May 4th 2012, Edinburgh UK
- Ross Walker (Wed Jan 25 2012 - 11:38:24 PST)
[q4md-fft] When using red, it outputs incorrect primary amine geometry as tetrahedral instead of trigonal planar
- g t (Thu Jan 12 2012 - 10:14:30 PST)
- FyD (Thu Jan 12 2012 - 09:57:01 PST)

Amber Archive Jan 2012 by subject