Amber Archive May 2010: by subject

[AMBER] 'process_mdout.perl' script
- Ross Walker (Mon May 31 2010 - 16:15:20 PDT)
- Homa Azizian (Sun May 30 2010 - 18:21:50 PDT)
[AMBER] (no subject)
- Nicee (Mon May 24 2010 - 02:54:01 PDT)
- Waad RHAIEM (Sun May 09 2010 - 17:13:58 PDT)
[AMBER] 1,2 -dichloroethane solvent model
- Lalit Dubey (Sun May 23 2010 - 21:23:20 PDT)
- FyD (Fri May 21 2010 - 23:00:47 PDT)
- Lalit Dubey (Wed May 19 2010 - 21:35:53 PDT)
[AMBER] [Fwd: MM-PBSA problem.. large delta (PBTOT, GAS, VdW, INT)]
- Matthias Negri (Wed May 05 2010 - 03:47:24 PDT)
[AMBER] [Fwd: problem in bond connection]
- Bill Ross (Tue May 11 2010 - 10:44:09 PDT)
- case (Tue May 11 2010 - 07:03:30 PDT)
- RINU KHATTRI (Tue May 11 2010 - 05:43:42 PDT)
[AMBER] a possible typo bug while building pmemd with mpi
- Dean Cuebas (Mon May 03 2010 - 10:43:33 PDT)
- Alan (Sat May 01 2010 - 00:04:42 PDT)
[AMBER] a recent review about force fields
- Alan (Thu May 13 2010 - 09:09:09 PDT)
- Alan (Wed May 12 2010 - 10:04:27 PDT)
- Kevin Hauser (Wed May 12 2010 - 09:45:25 PDT)
- Alan (Wed May 12 2010 - 08:46:19 PDT)
[AMBER] About MM-PBSA's extracting coordinate scirpt
- Dwight McGee (Sun May 09 2010 - 00:00:13 PDT)
- geyan (Sat May 08 2010 - 23:50:08 PDT)
- Bill Miller III (Sat May 08 2010 - 20:12:38 PDT)
- geyan (Sat May 08 2010 - 09:15:50 PDT)
[AMBER] about mpirun in AMBER
- kamlesh sahu (Sun May 09 2010 - 21:37:47 PDT)
- Ross Walker (Sun May 09 2010 - 19:38:01 PDT)
- kamlesh sahu (Sun May 09 2010 - 17:22:39 PDT)
[AMBER] about SHAKE and double x single precision
- Alan (Thu May 13 2010 - 09:04:08 PDT)
- case (Thu May 13 2010 - 08:59:17 PDT)
- Alan (Thu May 13 2010 - 08:04:38 PDT)
[AMBER] about VMD's molecular surface area calculation
- Jason Swails (Wed May 05 2010 - 06:51:09 PDT)
- Balazs Jojart (Wed May 05 2010 - 04:53:09 PDT)
- Balazs Jojart (Wed May 05 2010 - 01:56:24 PDT)
- geyan (Wed May 05 2010 - 01:45:49 PDT)
[AMBER] adding salt for MM_PBSA
- Bill Miller III (Mon May 03 2010 - 03:53:43 PDT)
- Xioling Chuang (Mon May 03 2010 - 01:53:35 PDT)
[AMBER] after equil surface of octahedral water-box have small well shaped arrangement of water
- Bill Ross (Sat May 08 2010 - 08:16:42 PDT)
- Carlos Simmerling (Sat May 08 2010 - 04:07:26 PDT)
- mish (Sat May 08 2010 - 03:55:05 PDT)
- Carlos Simmerling (Thu May 06 2010 - 06:01:11 PDT)
- mish (Thu May 06 2010 - 05:56:50 PDT)
- Carlos Simmerling (Thu May 06 2010 - 05:28:11 PDT)
- mish (Thu May 06 2010 - 05:00:49 PDT)
[AMBER] amber
- Jason Swails (Tue May 25 2010 - 22:25:35 PDT)
- Levi Pierce (Tue May 25 2010 - 22:24:37 PDT)
- Jason Swails (Tue May 25 2010 - 22:21:58 PDT)
- missing_grace.sina.com (Tue May 25 2010 - 21:59:02 PDT)
- Bill Ross (Tue May 25 2010 - 09:57:28 PDT)
- Jason Swails (Tue May 25 2010 - 05:04:23 PDT)
- Asfa Ali (Mon May 24 2010 - 23:31:08 PDT)
- Bill Ross (Mon May 24 2010 - 23:01:29 PDT)
- Asfa Ali (Mon May 24 2010 - 22:40:35 PDT)
[AMBER] AMBER (will two K+ ions retain their numbering?)
- Thomas Cheatham III (Tue May 25 2010 - 08:40:33 PDT)
[AMBER] amber 10 parallel test run error
- Nicee (Sun May 30 2010 - 21:33:11 PDT)
[AMBER] Amber 11 SRPM?
- Mengjuei Hsieh (Thu May 27 2010 - 17:18:43 PDT)
- Marc Moreau (Thu May 27 2010 - 14:05:39 PDT)
[AMBER] Amber 11- updated scripts for constant pH simulations and for MMPB/SA
- case (Wed May 05 2010 - 06:14:48 PDT)
- mish (Wed May 05 2010 - 05:20:33 PDT)
[AMBER] amber compilation error
- Jason Swails (Mon May 17 2010 - 11:08:06 PDT)
- Sangita Kachhap (Mon May 17 2010 - 08:58:00 PDT)
[AMBER] AMBER SUPPORT FOR ATI GPUs ?
- Marek Maly (Sat May 15 2010 - 04:45:48 PDT)
- Scott Le Grand (Thu May 13 2010 - 11:46:38 PDT)
- Scott Le Grand (Thu May 13 2010 - 11:41:06 PDT)
- Scott Le Grand (Thu May 13 2010 - 11:40:21 PDT)
- Ross Walker (Thu May 13 2010 - 09:45:37 PDT)
- Alan (Thu May 13 2010 - 07:51:38 PDT)
- Jason Swails (Thu May 13 2010 - 07:10:54 PDT)
- Marek Maly (Thu May 13 2010 - 06:31:48 PDT)
[AMBER] AMBER Wiki
- Jason Swails (Wed May 05 2010 - 07:03:05 PDT)
- Steve Seibold (Wed May 05 2010 - 06:53:59 PDT)
- Jason Swails (Wed May 05 2010 - 06:32:17 PDT)
- Steve Seibold (Wed May 05 2010 - 05:38:46 PDT)
[AMBER] Amber with MPI (GNU and Intel) on Mac SL
- Jason Swails (Tue May 04 2010 - 06:12:39 PDT)
- Alan (Tue May 04 2010 - 02:26:38 PDT)
- Jason Swails (Mon May 03 2010 - 16:09:29 PDT)
- Alan (Mon May 03 2010 - 09:56:13 PDT)
[AMBER] amber10 installation error in linux
- David Watson (Mon May 17 2010 - 21:46:47 PDT)
- David Watson (Mon May 17 2010 - 21:17:30 PDT)
- Sangita Kachhap (Mon May 17 2010 - 21:03:33 PDT)
[AMBER] amber10 installation error in linux (openmpi error)
- Jason Swails (Tue May 18 2010 - 05:05:45 PDT)
- Sangita Kachhap (Mon May 17 2010 - 23:10:33 PDT)
[AMBER] AMBER10 installation on OSX
- Kensuke Nakamura (Fri May 21 2010 - 17:17:57 PDT)
- Mengjuei Hsieh (Fri May 21 2010 - 10:55:19 PDT)
- David Watson (Fri May 21 2010 - 06:05:56 PDT)
- Jason Swails (Fri May 21 2010 - 05:51:43 PDT)
- Mengjuei Hsieh (Thu May 20 2010 - 22:53:04 PDT)
- Jason Swails (Thu May 20 2010 - 20:45:17 PDT)
- Kensuke Nakamura (Thu May 20 2010 - 20:24:30 PDT)
- Jason Swails (Thu May 20 2010 - 19:39:34 PDT)
- case (Thu May 20 2010 - 19:03:53 PDT)
- Kensuke Nakamura (Thu May 20 2010 - 18:55:51 PDT)
- Jason Swails (Thu May 20 2010 - 17:50:31 PDT)
- Kensuke Nakamura (Thu May 20 2010 - 17:44:28 PDT)
- erik zuiderweg (Thu May 20 2010 - 07:53:12 PDT)
- case (Thu May 20 2010 - 06:17:39 PDT)
- Mengjuei Hsieh (Thu May 20 2010 - 01:26:36 PDT)
- Kensuke Nakamura (Wed May 19 2010 - 22:07:49 PDT)
[AMBER] amber10 installtion error in parallel
- Jignesh Patel (Mon May 31 2010 - 21:25:25 PDT)
- Jason Swails (Mon May 31 2010 - 17:43:52 PDT)
- Sangita Kachhap (Mon May 31 2010 - 10:35:35 PDT)
[AMBER] amber11 PMEMD cuda problem. (sometimes stopped...)
- Wookyung Yu (Thu May 27 2010 - 21:57:51 PDT)
- Ross Walker (Thu May 27 2010 - 20:32:57 PDT)
- Wookyung Yu (Thu May 27 2010 - 19:50:47 PDT)
[AMBER] AmberTool 1.4 with Intel 10.1.014 on snow leopard
- Mengjuei Hsieh (Sat May 01 2010 - 18:33:53 PDT)
[AMBER] Ambertools 1.4 installation cygwin
- Bill Ross (Wed May 19 2010 - 23:10:50 PDT)
- Jason Swails (Wed May 19 2010 - 21:19:31 PDT)
- Steve Henderson (Wed May 19 2010 - 20:34:38 PDT)
[AMBER] ambertools 1.4, tests
- David Watson (Thu May 06 2010 - 10:23:58 PDT)
- Alan (Thu May 06 2010 - 09:58:57 PDT)
- Ben Roberts (Thu May 06 2010 - 09:26:01 PDT)
- Alan (Thu May 06 2010 - 07:18:53 PDT)
- Ben Roberts (Wed May 05 2010 - 14:34:31 PDT)
- Alan (Wed May 05 2010 - 08:12:43 PDT)
- Ben Roberts (Wed May 05 2010 - 08:04:50 PDT)
- Alan (Wed May 05 2010 - 01:19:38 PDT)
- Ben Roberts (Tue May 04 2010 - 16:35:57 PDT)
- Ben Roberts (Tue May 04 2010 - 14:45:23 PDT)
- Mengjuei Hsieh (Mon May 03 2010 - 15:39:05 PDT)
- Mengjuei Hsieh (Mon May 03 2010 - 10:13:14 PDT)
- Alan (Mon May 03 2010 - 08:58:22 PDT)
- case (Mon May 03 2010 - 08:02:58 PDT)
- Ben Roberts (Mon May 03 2010 - 07:53:26 PDT)
- David Watson (Mon May 03 2010 - 07:19:53 PDT)
- Ben Roberts (Mon May 03 2010 - 06:53:38 PDT)
- Alan (Mon May 03 2010 - 03:56:29 PDT)
- Mengjuei Hsieh (Mon May 03 2010 - 03:02:52 PDT)
- Alan (Sun May 02 2010 - 10:38:58 PDT)
- Mengjuei Hsieh (Sun May 02 2010 - 02:47:53 PDT)
[AMBER] AmberTools-1.4 Test Problem
- case (Mon May 31 2010 - 07:57:34 PDT)
- Hopkins, Robert (Mon May 31 2010 - 07:31:53 PDT)
[AMBER] AmberTools.pdf (AT 1.4)
- Mengjuei Hsieh (Sun May 02 2010 - 02:52:22 PDT)
[AMBER] analysis of results
- Jason Swails (Mon May 17 2010 - 06:38:06 PDT)
- Asfa Ali (Mon May 17 2010 - 03:08:43 PDT)
[AMBER] Announcement: Release of DOCK 6.4
- Scott Brozell (Tue May 04 2010 - 18:44:53 PDT)
[AMBER] antechamber
- Gustavo Seabra (Wed May 26 2010 - 07:12:55 PDT)
- Jason Swails (Wed May 26 2010 - 07:00:28 PDT)
- JoRDi (Wed May 26 2010 - 02:00:44 PDT)
- missing_grace.sina.com (Tue May 25 2010 - 22:08:53 PDT)
- missing_grace.sina.com (Tue May 25 2010 - 21:57:27 PDT)
[AMBER] Anton supercomputer
- Bill Ross (Mon May 10 2010 - 14:02:57 PDT)
[AMBER] AT 1.4 DFTB
- Guanglei Cui (Fri May 21 2010 - 15:01:35 PDT)
[AMBER] AT1.4 installation errors (logs are attached)
- Mengjuei Hsieh (Thu May 27 2010 - 02:02:41 PDT)
- Mengjuei Hsieh (Sat May 22 2010 - 13:17:32 PDT)
- Mengjuei Hsieh (Sat May 22 2010 - 12:38:30 PDT)
- Bill Ross (Sat May 22 2010 - 10:45:56 PDT)
- Dmitry Mukha (Sat May 22 2010 - 04:08:15 PDT)
- Mengjuei Hsieh (Sat May 22 2010 - 02:02:14 PDT)
- Mengjuei Hsieh (Fri May 21 2010 - 22:49:18 PDT)
- case (Fri May 21 2010 - 07:00:58 PDT)
- Dmitry Mukha (Fri May 21 2010 - 06:00:46 PDT)
- Mengjuei Hsieh (Thu May 20 2010 - 01:31:12 PDT)
- David A. Case (Wed May 19 2010 - 10:44:50 PDT)
- Mengjuei Hsieh (Wed May 19 2010 - 10:17:02 PDT)
- David A. Case (Wed May 19 2010 - 05:09:19 PDT)
- Dmitry Mukha (Tue May 18 2010 - 21:13:15 PDT)
- David A. Case (Tue May 18 2010 - 20:09:02 PDT)
- Dmitry Mukha (Tue May 18 2010 - 08:19:13 PDT)
[AMBER] Atom out of bounds/prepin file problem
- Nicee (Tue May 25 2010 - 00:01:49 PDT)
- Nicee (Mon May 24 2010 - 23:06:46 PDT)
- case (Mon May 24 2010 - 05:58:24 PDT)
- Nicee (Mon May 24 2010 - 02:55:48 PDT)
[AMBER] B-DNA
- Ilyas Yildirim (Wed May 26 2010 - 08:08:50 PDT)
- case (Wed May 26 2010 - 05:38:14 PDT)
- steinbrt.rci.rutgers.edu (Wed May 26 2010 - 04:45:20 PDT)
- monica.imtech.res.in (Wed May 26 2010 - 04:18:02 PDT)
[AMBER] B-factor
- Jason Swails (Tue May 18 2010 - 05:06:41 PDT)
- ashutosh shandilya (Tue May 18 2010 - 00:14:44 PDT)
[AMBER] Calculating Self-Diffusion Coefficients
- Matthew Tessier (Fri May 21 2010 - 11:13:34 PDT)
[AMBER] Can I define target MD or steered MD with mean square internal deviation (MSID) using AMBER 10?
- Catein Catherine (Sat May 22 2010 - 04:55:34 PDT)
[AMBER] Can I get interaction energy between two motifs in diffrent domains in the same protein through MD simulations?
- Bill Miller III (Wed May 19 2010 - 20:37:59 PDT)
- YuZhihong (Wed May 19 2010 - 09:12:58 PDT)
- Bill Miller III (Tue May 18 2010 - 17:05:59 PDT)
- YuZhihong (Tue May 18 2010 - 16:15:38 PDT)
- Zhihong Yu (Tue May 18 2010 - 09:26:15 PDT)
- Zhihong Yu (Tue May 18 2010 - 09:00:33 PDT)
[AMBER] Can mm_pbsa.pl read NETCDF format trajectory file ?
- Jason Swails (Wed May 26 2010 - 07:14:40 PDT)
- Sushil Mishra (Wed May 26 2010 - 06:36:17 PDT)
[AMBER] can't make proper use of IGB flag, it cause "input conversion error"
- Carlos Simmerling (Thu May 06 2010 - 04:16:48 PDT)
- geyan (Thu May 06 2010 - 01:30:43 PDT)
[AMBER] can't make proper use of IGB flag, it cause "inputconversion error"
- Dean Cuebas (Sat May 08 2010 - 17:27:48 PDT)
- Carlos Simmerling (Thu May 06 2010 - 06:46:37 PDT)
- geyan (Thu May 06 2010 - 06:39:45 PDT)
[AMBER] can't make proper use of IGB flag, it cause"inputconversion error"
- Carlos Simmerling (Thu May 06 2010 - 07:06:51 PDT)
- geyan (Thu May 06 2010 - 06:56:40 PDT)
[AMBER] checkgrid command rdparm
- Katrina Lexa (Thu May 06 2010 - 14:53:18 PDT)
[AMBER] Chloroform solvent model
- Necmettin Pirinccioglu (Tue May 18 2010 - 01:34:51 PDT)
- steinbrt.rci.rutgers.edu (Tue May 18 2010 - 00:55:56 PDT)
- ashutosh shandilya (Tue May 18 2010 - 00:19:21 PDT)
[AMBER] color images from 2drms
- Roman Osman (Thu May 20 2010 - 09:23:18 PDT)
- M. L. Dodson (Thu May 20 2010 - 09:03:24 PDT)
- Ilyas Yildirim (Thu May 20 2010 - 08:44:15 PDT)
- Bill Ross (Thu May 20 2010 - 08:28:06 PDT)
- InSuk Joung (Thu May 20 2010 - 08:24:47 PDT)
- Jason Swails (Thu May 20 2010 - 08:22:53 PDT)
- Rebeca García Fandiño (Thu May 20 2010 - 08:18:00 PDT)
- InSuk Joung (Fri May 14 2010 - 09:49:07 PDT)
- Thomas Cheatham III (Fri May 14 2010 - 09:03:19 PDT)
- Jason Swails (Thu May 13 2010 - 07:16:14 PDT)
- Rebeca García Fandiño (Thu May 13 2010 - 02:33:54 PDT)
[AMBER] Compiling Amber10 on Mac Snow Leopard with gcc/gfortran
- erik zuiderweg (Mon May 24 2010 - 11:04:42 PDT)
- case (Mon May 24 2010 - 10:39:16 PDT)
- Aurora Clark (Mon May 24 2010 - 10:22:34 PDT)
[AMBER] Compiling MPI and CUDA on Amber 11
- Ross Walker (Tue May 18 2010 - 08:47:37 PDT)
- Samuel, Tabitha Kripa (Tue May 18 2010 - 08:36:43 PDT)
[AMBER] compiling problem,
- Syed Tarique Moin (Fri May 21 2010 - 18:49:21 PDT)
- Daniel Roe (Fri May 21 2010 - 12:17:26 PDT)
- Syed Tarique Moin (Fri May 21 2010 - 12:09:39 PDT)
- case (Fri May 21 2010 - 06:55:57 PDT)
- Syed Tarique Moin (Fri May 21 2010 - 05:52:16 PDT)
[AMBER] Contour plots of 2D WHAM
- Lekpa Duukori (Tue May 18 2010 - 14:17:47 PDT)
- Jason Swails (Tue May 18 2010 - 09:42:17 PDT)
- Lekpa Duukori (Tue May 18 2010 - 07:43:10 PDT)
[AMBER] conversion to netcdf format
- Thomas Cheatham III (Thu May 06 2010 - 13:08:23 PDT)
- Jason Swails (Thu May 06 2010 - 07:06:08 PDT)
- Ganesh Kamath (Thu May 06 2010 - 06:59:43 PDT)
- Jason Swails (Thu May 06 2010 - 06:37:18 PDT)
- Ganesh Kamath (Thu May 06 2010 - 06:31:44 PDT)
[AMBER] Coordinate arrays in sander
- case (Wed May 26 2010 - 05:00:22 PDT)
- Antonios Samiotakis (Tue May 25 2010 - 13:24:06 PDT)
- Jason Swails (Wed May 19 2010 - 16:42:29 PDT)
- Antonios Samiotakis (Wed May 19 2010 - 15:59:39 PDT)
[AMBER] CPU core requirements for GPU Amber?
- Scott Le Grand (Wed May 26 2010 - 16:18:09 PDT)
- Scott Le Grand (Wed May 26 2010 - 16:17:19 PDT)
- Scott Le Grand (Wed May 26 2010 - 16:16:32 PDT)
- Scott Le Grand (Wed May 26 2010 - 16:15:01 PDT)
- Ross Walker (Wed May 26 2010 - 16:03:32 PDT)
- Ross Walker (Wed May 26 2010 - 16:01:05 PDT)
- Jason Swails (Wed May 26 2010 - 15:55:12 PDT)
- Richard Owczarzy (Wed May 26 2010 - 15:52:57 PDT)
- Ross Walker (Wed May 26 2010 - 15:40:25 PDT)
- Sasha Buzko (Wed May 26 2010 - 15:35:26 PDT)
- Ross Walker (Wed May 26 2010 - 15:36:43 PDT)
- Levi Pierce (Wed May 26 2010 - 15:22:04 PDT)
- Jason Swails (Wed May 26 2010 - 15:09:28 PDT)
- Sasha Buzko (Wed May 26 2010 - 14:09:18 PDT)
[AMBER] crash in minimization step
- case (Wed May 05 2010 - 04:56:02 PDT)
- Homa Azizian (Tue May 04 2010 - 21:35:39 PDT)
[AMBER] CUDA Segfault GTX470
- Jason Swails (Mon May 31 2010 - 17:41:16 PDT)
- Ross Walker (Mon May 31 2010 - 16:35:15 PDT)
- Levi Pierce (Mon May 31 2010 - 15:24:18 PDT)
[AMBER] davies bouldin index and DME
- Geoffrey Wood (Mon May 03 2010 - 10:50:17 PDT)
[AMBER] Davies Bouldin Index with DME
- Geoffrey Wood (Tue May 04 2010 - 07:41:29 PDT)
- Geoffrey Wood (Tue May 04 2010 - 07:31:25 PDT)
[AMBER] Davies Bouldin Index with DME in ptraj
- Jianyin Shao (Mon May 10 2010 - 16:10:05 PDT)
- Geoffrey Wood (Mon May 03 2010 - 13:48:36 PDT)
[AMBER] Defunction of ibelly in Sander
- Jim Miller (Sun May 30 2010 - 20:55:45 PDT)
- Ross Walker (Sun May 30 2010 - 11:55:03 PDT)
- Bill Ross (Sun May 30 2010 - 11:22:26 PDT)
- Jim Miller (Sun May 30 2010 - 10:25:26 PDT)
[AMBER] DIPOLE MOMENT OF HEPARAN SULPHATE MODELS
- Juan Carlos (Wed May 26 2010 - 01:16:53 PDT)
[AMBER] DIPOLE MOMENT OUTPUT FILE
- Juan Carlos (Thu May 13 2010 - 07:34:47 PDT)
[AMBER] Dipoles calculation
- Gustavo Seabra (Tue May 25 2010 - 13:42:41 PDT)
- Sergey Samsonov (Tue May 25 2010 - 07:17:03 PDT)
[AMBER] discontinous residues
- Jio M (Mon May 31 2010 - 23:58:27 PDT)
[AMBER] distance restraint
- matthew_seetin.urmc.rochester.edu (Tue May 25 2010 - 21:57:17 PDT)
- qiaoyan (Tue May 25 2010 - 19:58:07 PDT)
[AMBER] Does AMBER10 support REMD with AMOEBA?
- Yue Shi (Thu May 27 2010 - 15:52:29 PDT)
[AMBER] Dynamic Cross Correlation Map
- Bill Ross (Wed May 26 2010 - 09:22:50 PDT)
- Homa Azizian (Tue May 25 2010 - 19:56:57 PDT)
- Homa Azizian (Sun May 23 2010 - 19:53:46 PDT)
[AMBER] Energy minimization OR black art
- Ross Walker (Wed May 26 2010 - 08:44:57 PDT)
- Jason Swails (Wed May 26 2010 - 07:22:05 PDT)
- Gustavo Seabra (Wed May 26 2010 - 07:11:22 PDT)
- M. Reza Ganjalikhany (Wed May 26 2010 - 06:29:01 PDT)
- steinbrt.rci.rutgers.edu (Wed May 26 2010 - 05:57:10 PDT)
- M. Reza Ganjalikhany (Wed May 26 2010 - 05:41:45 PDT)
[AMBER] Energy of Water Molecules
- Balazs Jojart (Tue May 11 2010 - 23:47:29 PDT)
- Barbault Florent (Tue May 11 2010 - 13:35:39 PDT)
- Bill Ross (Tue May 11 2010 - 12:49:20 PDT)
- Hemant Kumar (Tue May 11 2010 - 12:27:16 PDT)
- Bill Ross (Tue May 11 2010 - 12:29:38 PDT)
- Hemant Kumar (Tue May 11 2010 - 11:30:17 PDT)
- Bill Ross (Tue May 11 2010 - 11:16:17 PDT)
- Hemant Kumar (Tue May 11 2010 - 10:56:10 PDT)
[AMBER] entropy problem
- Rilei Yu (Sat May 15 2010 - 19:16:44 PDT)
- Jason Swails (Sat May 15 2010 - 18:46:27 PDT)
- Rilei Yu (Sat May 15 2010 - 18:13:55 PDT)
[AMBER] entropy-problem
- Rilei Yu (Tue May 18 2010 - 18:50:20 PDT)
- Jason Swails (Tue May 18 2010 - 13:59:28 PDT)
- Rilei Yu (Tue May 18 2010 - 06:10:31 PDT)
- Bill Miller III (Mon May 17 2010 - 18:55:28 PDT)
- Jason Swails (Mon May 17 2010 - 18:43:01 PDT)
- Rilei Yu (Mon May 17 2010 - 18:29:51 PDT)
[AMBER] EP with ff99SB
- Carlos Simmerling (Sun May 23 2010 - 19:26:24 PDT)
- William Flak (Sun May 23 2010 - 15:53:02 PDT)
- case (Sun May 23 2010 - 15:32:26 PDT)
- William Flak (Sun May 23 2010 - 14:46:42 PDT)
[AMBER] equilibration
- John S (Thu May 20 2010 - 20:16:17 PDT)
- Carlos Simmerling (Wed May 19 2010 - 13:11:39 PDT)
- Bill Ross (Wed May 19 2010 - 11:55:19 PDT)
- John S (Wed May 19 2010 - 11:05:03 PDT)
[AMBER] error - binding_energy.mmpbsa run
- Bill Miller III (Tue May 18 2010 - 03:57:19 PDT)
- Andrew Voronkov (Mon May 17 2010 - 22:49:27 PDT)
- Jason Swails (Sun May 16 2010 - 04:40:22 PDT)
- Andrew Voronkov (Sun May 16 2010 - 03:53:52 PDT)
[AMBER] Error in umbrella run in AMBER 10
- case (Tue May 04 2010 - 04:41:09 PDT)
- Catein Catherine (Tue May 04 2010 - 03:41:30 PDT)
[AMBER] Error while compiling GPU version of PMEMD in Amber 11
- Ross Walker (Wed May 12 2010 - 12:23:25 PDT)
- Jason Swails (Wed May 12 2010 - 12:14:36 PDT)
- case (Wed May 12 2010 - 12:13:31 PDT)
- Samuel, Tabitha Kripa (Wed May 12 2010 - 11:42:42 PDT)
[AMBER] esp and resp with pcgamess
- peker milas (Fri May 07 2010 - 09:59:03 PDT)
- FyD (Fri May 07 2010 - 09:38:19 PDT)
- FyD (Fri May 07 2010 - 09:30:55 PDT)
- peker milas (Fri May 07 2010 - 05:58:03 PDT)
[AMBER] ESP VS AM1BCC
- FyD (Fri May 14 2010 - 02:39:02 PDT)
- Alan (Fri May 14 2010 - 02:09:44 PDT)
- FyD (Fri May 14 2010 - 00:18:23 PDT)
- Alan (Thu May 13 2010 - 02:19:42 PDT)
- Matthew Tessier (Wed May 12 2010 - 15:37:38 PDT)
- Jason Swails (Wed May 12 2010 - 14:11:29 PDT)
- Hoshin Amber (Thu May 13 2010 - 00:51:17 PDT)
- Jason Swails (Wed May 12 2010 - 05:48:49 PDT)
- Alan (Wed May 12 2010 - 02:58:39 PDT)
- Jason Swails (Tue May 11 2010 - 13:43:09 PDT)
- Hoshin Amber (Wed May 12 2010 - 00:12:12 PDT)
[AMBER] explanation for three rdf files
- Mengjuei Hsieh (Thu May 20 2010 - 01:10:01 PDT)
- Yunfen Wang (Wed May 19 2010 - 20:19:30 PDT)
[AMBER] External Electric Field
- peikun (Tue May 18 2010 - 20:32:04 PDT)
[AMBER] FF02EP force field
- case (Sat May 29 2010 - 14:43:40 PDT)
- William Flak (Sat May 29 2010 - 13:59:14 PDT)
[AMBER] freezing selected residues
- Jason Swails (Sat May 01 2010 - 15:52:44 PDT)
[AMBER] fsetpos failed on when looking for box coordinates
- Jason Swails (Fri May 07 2010 - 05:43:06 PDT)
- Yunfen Wang (Thu May 06 2010 - 23:48:47 PDT)
- Daniel Roe (Thu May 06 2010 - 21:46:46 PDT)
- Yunfen Wang (Thu May 06 2010 - 17:57:50 PDT)
[AMBER] hbond and acceptor definition
- Daniel Roe (Tue May 18 2010 - 11:46:03 PDT)
- Ganesh Kamath (Tue May 18 2010 - 09:43:12 PDT)
- Daniel Roe (Tue May 18 2010 - 08:32:59 PDT)
- Ganesh Kamath (Mon May 17 2010 - 14:25:33 PDT)
[AMBER] help about test failures
- Jason Swails (Sat May 22 2010 - 18:16:42 PDT)
- peker milas (Sat May 22 2010 - 17:28:51 PDT)
- case (Sat May 22 2010 - 17:24:15 PDT)
- peker milas (Fri May 21 2010 - 15:50:51 PDT)
- Daniel Roe (Fri May 21 2010 - 14:15:03 PDT)
- peker milas (Fri May 21 2010 - 13:32:34 PDT)
[AMBER] how to add Mg2+
- Sangita Kachhap (Fri May 28 2010 - 06:59:48 PDT)
- Sangita Kachhap (Fri May 28 2010 - 06:58:38 PDT)
- Sangita Kachhap (Fri May 28 2010 - 06:56:39 PDT)
- Jason Swails (Thu May 27 2010 - 11:09:24 PDT)
- Bill Ross (Thu May 27 2010 - 10:44:01 PDT)
- Bill Miller III (Thu May 27 2010 - 10:34:20 PDT)
- Sangita Kachhap (Thu May 27 2010 - 10:21:53 PDT)
[AMBER] How to analyze without printing out mdcrd
- Dian Jiao (Tue May 04 2010 - 07:03:05 PDT)
- Daniel Roe (Tue May 04 2010 - 05:52:31 PDT)
- Bill Miller III (Mon May 03 2010 - 13:57:06 PDT)
- Bill Ross (Mon May 03 2010 - 13:55:28 PDT)
- Dian Jiao (Mon May 03 2010 - 13:47:22 PDT)
[AMBER] How to calculate ensemble-averaged electrostatic calculations with VMD?
- Catein Catherine (Mon May 24 2010 - 09:17:52 PDT)
[AMBER] How to design starting geometries for steered MD? How to check convergence of the results?
- Catein Catherine (Thu May 20 2010 - 02:42:46 PDT)
[AMBER] How to disable the 1-4 interaction
- case (Tue May 11 2010 - 05:49:58 PDT)
- Jason Swails (Mon May 10 2010 - 09:34:46 PDT)
- Hector A. Baldoni (Mon May 10 2010 - 08:25:21 PDT)
[AMBER] How to disable the VDW interaction?
- Jason Swails (Sun May 09 2010 - 21:33:43 PDT)
- case (Sun May 09 2010 - 07:10:38 PDT)
- Jason Swails (Sat May 08 2010 - 16:06:50 PDT)
- Marek Maly (Sat May 08 2010 - 14:58:19 PDT)
- Jeffrey (Sat May 08 2010 - 08:45:37 PDT)
- Jason Swails (Sat May 08 2010 - 06:17:10 PDT)
- Jeffrey (Sat May 08 2010 - 05:44:54 PDT)
- Carlos Simmerling (Sat May 08 2010 - 03:01:02 PDT)
- Jeffrey (Fri May 07 2010 - 23:51:02 PDT)
[AMBER] How to do clustering with ptraj?
- case (Mon May 24 2010 - 09:33:04 PDT)
- Bill Miller III (Mon May 24 2010 - 09:31:04 PDT)
- Catein Catherine (Mon May 24 2010 - 09:11:30 PDT)
[AMBER] how to get decomposed energies of every snapshot
- pxq (Thu May 06 2010 - 17:30:26 PDT)
- Carlos Simmerling (Thu May 06 2010 - 07:07:35 PDT)
- Bill Miller III (Thu May 06 2010 - 07:06:19 PDT)
- pxq (Thu May 06 2010 - 06:56:39 PDT)
[AMBER] How to interpret ptraj clustering results
- Catein Catherine (Thu May 27 2010 - 00:40:24 PDT)
- Thomas Cheatham III (Wed May 26 2010 - 10:54:57 PDT)
- Catein Catherine (Wed May 26 2010 - 01:02:10 PDT)
[AMBER] How to interpret the results of ptraj/contacts
- Catein Catherine (Wed May 26 2010 - 01:21:30 PDT)
- Catein Catherine (Wed May 26 2010 - 01:12:04 PDT)
[AMBER] How to make ionic liquid solvent box?
- Bill Ross (Wed May 05 2010 - 13:54:04 PDT)
- Hoshin Amber (Wed May 05 2010 - 00:35:34 PDT)
- Bill Ross (Tue May 04 2010 - 15:47:41 PDT)
- Bill Ross (Tue May 04 2010 - 15:44:14 PDT)
- Hoshin Kim (Tue May 04 2010 - 15:41:56 PDT)
- Jason Swails (Tue May 04 2010 - 15:10:00 PDT)
- Hoshin Kim (Tue May 04 2010 - 14:06:39 PDT)
- 킹아기돼지 (Tue May 04 2010 - 13:42:20 PDT)
- Bill Ross (Mon May 03 2010 - 13:05:42 PDT)
- 김호신 (Mon May 03 2010 - 12:24:34 PDT)
[AMBER] How to obtain dialsplot
- Niel Henriksen (Wed May 12 2010 - 09:11:44 PDT)
- Homa Azizian (Tue May 11 2010 - 19:10:59 PDT)
[AMBER] How to obtain interdomain angles
- Lachele Foley (Lists) (Tue May 18 2010 - 13:08:38 PDT)
- Tan Yaw Sing (Mon May 17 2010 - 23:30:38 PDT)
[AMBER] How to output partial part of the result in output file
- Jason Swails (Sun May 30 2010 - 21:35:14 PDT)
- Jim Miller (Sun May 30 2010 - 21:07:41 PDT)
[AMBER] How to run xleap with PC, when amber10 was installed remoted in supercomputer?
- Daniel Roe (Fri May 07 2010 - 05:53:48 PDT)
- Jason Swails (Fri May 07 2010 - 05:49:29 PDT)
- Sushil Mishra (Fri May 07 2010 - 03:19:17 PDT)
- Sushil Mishra (Fri May 07 2010 - 03:13:06 PDT)
- Catein Catherine (Fri May 07 2010 - 03:07:55 PDT)
[AMBER] Hybridization state effects
- Bill Ross (Sun May 16 2010 - 12:25:43 PDT)
- William Flak (Sun May 16 2010 - 08:01:05 PDT)
[AMBER] ifbox=2 in prmtop but angles are not correct
- case (Tue May 04 2010 - 04:58:31 PDT)
- case (Tue May 04 2010 - 04:57:26 PDT)
- ashutosh shandilya (Tue May 04 2010 - 03:41:04 PDT)
- case (Mon May 03 2010 - 07:08:03 PDT)
- ashutosh shandilya (Sun May 02 2010 - 03:35:01 PDT)
[AMBER] installation of amber
- Ross Walker (Sun May 09 2010 - 19:30:50 PDT)
- qiaoyan (Sun May 09 2010 - 18:44:11 PDT)
[AMBER] Installation of Amber10
- Senthil Natesan (Tue May 18 2010 - 08:38:40 PDT)
- Ross Walker (Tue May 18 2010 - 08:34:27 PDT)
- jaya c.jose (Tue May 18 2010 - 08:20:56 PDT)
- Ross Walker (Fri May 14 2010 - 09:21:39 PDT)
- jaya c.jose (Fri May 14 2010 - 05:59:06 PDT)
- Ross Walker (Mon May 10 2010 - 07:19:28 PDT)
- Jason Swails (Mon May 10 2010 - 06:30:34 PDT)
- jaya c.jose (Mon May 10 2010 - 06:07:56 PDT)
- case (Sat May 08 2010 - 05:42:46 PDT)
- jaya c.jose (Fri May 07 2010 - 23:09:24 PDT)
- jaya c.jose (Fri May 07 2010 - 03:25:36 PDT)
- Jason Swails (Thu May 06 2010 - 05:52:57 PDT)
- case (Thu May 06 2010 - 05:47:34 PDT)
- David Watson (Thu May 06 2010 - 05:32:40 PDT)
- jaya c.jose (Thu May 06 2010 - 05:22:10 PDT)
- Jason Swails (Sat May 01 2010 - 07:16:03 PDT)
- jaya c.jose (Sat May 01 2010 - 07:02:12 PDT)
[AMBER] installation on MacOS10.6
- erik zuiderweg (Sun May 16 2010 - 11:33:33 PDT)
- Mengjuei Hsieh (Sun May 16 2010 - 04:04:35 PDT)
- Mengjuei Hsieh (Sat May 15 2010 - 21:25:29 PDT)
- Jason Swails (Sat May 15 2010 - 14:45:27 PDT)
- Jason Swails (Sat May 15 2010 - 14:42:50 PDT)
- erik zuiderweg (Sat May 15 2010 - 14:19:33 PDT)
- erik zuiderweg (Sat May 15 2010 - 09:55:23 PDT)
- Paul S. Nerenberg (Sat May 15 2010 - 08:54:43 PDT)
- Jason Swails (Sat May 15 2010 - 08:49:42 PDT)
- erik zuiderweg (Sat May 15 2010 - 08:11:29 PDT)
- Sidney Elmer (Fri May 14 2010 - 23:22:35 PDT)
- case (Fri May 14 2010 - 18:00:36 PDT)
- Jason Swails (Fri May 14 2010 - 15:00:41 PDT)
- Alan (Fri May 14 2010 - 12:51:32 PDT)
- Jason Swails (Fri May 14 2010 - 11:40:23 PDT)
- Mengjuei Hsieh (Fri May 14 2010 - 11:25:18 PDT)
- David Watson (Fri May 14 2010 - 09:43:21 PDT)
- erik zuiderweg (Fri May 14 2010 - 09:22:17 PDT)
- Jason Swails (Fri May 14 2010 - 08:41:23 PDT)
- erik zuiderweg (Fri May 14 2010 - 08:23:08 PDT)
- erik zuiderweg (Fri May 14 2010 - 08:16:22 PDT)
- Alan (Fri May 14 2010 - 06:03:59 PDT)
- erik zuiderweg (Fri May 14 2010 - 05:43:54 PDT)
- Alan (Thu May 13 2010 - 23:24:51 PDT)
- Mengjuei Hsieh (Thu May 13 2010 - 15:58:30 PDT)
- Alan (Thu May 13 2010 - 15:04:00 PDT)
- Jason Swails (Thu May 13 2010 - 14:56:34 PDT)
- erik zuiderweg (Thu May 13 2010 - 14:20:19 PDT)
- David Watson (Thu May 13 2010 - 14:12:08 PDT)
- erik zuiderweg (Thu May 13 2010 - 13:52:09 PDT)
[AMBER] Installing AmberTools 1.4 in Ubuntu 10.04
- Levi Pierce (Thu May 27 2010 - 14:08:25 PDT)
- Jason Swails (Thu May 27 2010 - 12:20:41 PDT)
- David Dubins (Thu May 27 2010 - 11:36:23 PDT)
[AMBER] installing AmberTools 1.4 on AIX
- Mirko Cestari (Mon May 31 2010 - 06:57:52 PDT)
- case (Sat May 29 2010 - 19:32:42 PDT)
- Mirko Cestari (Wed May 26 2010 - 06:16:38 PDT)
[AMBER] interaction free energy between a polycyclic aromatic hydrocarbon covalently linked to DNA and the DNA
- Yuqin Cai (Fri May 28 2010 - 11:44:02 PDT)
[AMBER] Iodine ESP
- FyD (Mon May 17 2010 - 03:46:58 PDT)
- William Flak (Sun May 16 2010 - 07:56:38 PDT)
- FyD (Fri May 07 2010 - 09:45:47 PDT)
- William Flak (Thu May 06 2010 - 13:07:55 PDT)
[AMBER] Is AMBER 10 compatible with notebook?
- Catein Catherine (Sat May 01 2010 - 10:20:43 PDT)
- Catein Catherine (Sat May 01 2010 - 10:19:50 PDT)
- Ross Walker (Sat May 01 2010 - 08:32:09 PDT)
- Jason Swails (Sat May 01 2010 - 08:29:15 PDT)
- Catein Catherine (Sat May 01 2010 - 08:18:58 PDT)
[AMBER] Is it necessary to use Gaussian03?
- Hoshin Amber (Mon May 10 2010 - 00:55:10 PDT)
[AMBER] Is it possible to plot RMSd VS residue number for a protein?
- M. Reza Ganjalikhany (Mon May 31 2010 - 06:49:48 PDT)
[AMBER] Is the results of NAMD equals to AMBER's sander?
- Tom Joseph (Mon May 24 2010 - 13:49:38 PDT)
- Robert Elder (Mon May 24 2010 - 12:49:31 PDT)
- Catein Catherine (Mon May 24 2010 - 09:06:30 PDT)
[AMBER] Kirkwood g factor
- Lachele Foley (Lists) (Tue May 04 2010 - 10:58:21 PDT)
- Ganesh Kamath (Tue May 04 2010 - 08:46:21 PDT)
[AMBER] leap issues
- case (Fri May 21 2010 - 11:43:45 PDT)
- Bill Ross (Fri May 21 2010 - 10:52:55 PDT)
- Alex Boncheff (Fri May 21 2010 - 10:43:09 PDT)
- case (Fri May 21 2010 - 10:28:35 PDT)
- Lachele Foley (Lists) (Fri May 21 2010 - 10:26:56 PDT)
- Bill Ross (Fri May 21 2010 - 10:20:48 PDT)
- Jason Swails (Fri May 21 2010 - 10:14:42 PDT)
- Alex Boncheff (Fri May 21 2010 - 10:09:39 PDT)
[AMBER] MAC version of the GTX 285 and PMEMD.CUDA
- Scott Le Grand (Wed May 05 2010 - 09:23:13 PDT)
- Alan (Wed May 05 2010 - 08:03:26 PDT)
- Ross Walker (Wed May 05 2010 - 07:27:25 PDT)
- Jason Swails (Wed May 05 2010 - 07:27:01 PDT)
- Alan (Wed May 05 2010 - 07:02:50 PDT)
- Axel (Tue May 04 2010 - 08:33:00 PDT)
- Jason Swails (Tue May 04 2010 - 08:12:12 PDT)
- Ross Walker (Tue May 04 2010 - 08:02:42 PDT)
- Axel (Tue May 04 2010 - 07:17:50 PDT)
[AMBER] make test.parallel never finishes
- Ross Walker (Mon May 17 2010 - 09:18:53 PDT)
- Jan Schulze (Mon May 17 2010 - 04:43:10 PDT)
- Dmitry Mukha (Fri May 14 2010 - 20:57:28 PDT)
- case (Fri May 14 2010 - 17:45:27 PDT)
- Jan Schulze (Fri May 14 2010 - 07:19:38 PDT)
[AMBER] MBAR on TI data
- steinbrt.rci.rutgers.edu (Tue May 04 2010 - 23:42:21 PDT)
- Oliver Kuhn (Tue May 04 2010 - 22:55:41 PDT)
- steinbrt.rci.rutgers.edu (Tue May 04 2010 - 02:16:33 PDT)
- Oliver Kuhn (Tue May 04 2010 - 01:32:29 PDT)
[AMBER] md simulation-cap
- Rilei Yu (Sun May 02 2010 - 05:40:16 PDT)
[AMBER] meaning of time correlation function
- Mengjuei Hsieh (Fri May 21 2010 - 14:48:38 PDT)
- Homa Azizian (Mon May 17 2010 - 20:13:19 PDT)
[AMBER] Measure distances and angles with ptraj
- Fernando Martín García (Mon May 10 2010 - 23:23:27 PDT)
- Daniel Roe (Mon May 10 2010 - 04:46:55 PDT)
- Fernando Martín García (Mon May 10 2010 - 03:55:29 PDT)
[AMBER] minimization with pmemd and gbsa=1
- Ross Walker (Fri May 21 2010 - 07:20:48 PDT)
- Paul Brandt (Fri May 21 2010 - 02:27:30 PDT)
- Paul Brandt (Fri May 21 2010 - 00:19:11 PDT)
[AMBER] Missing BELE for MM in 1 (residue 1)
- Hyma vathi (Sun May 16 2010 - 22:56:28 PDT)
[AMBER] MM-PB/SA (ERROR IN SETPAR() upon atom distribution)
- Sushil Mishra (Sun May 30 2010 - 11:21:28 PDT)
[AMBER] MM-PBSA problem.. large delta (PBTOT, GAS, VdW, INT)
- Matthias Negri (Thu May 06 2010 - 15:29:12 PDT)
- Ray Luo (Thu May 06 2010 - 14:45:06 PDT)
- Bill Miller III (Thu May 06 2010 - 13:42:36 PDT)
- Matthias Negri (Thu May 06 2010 - 13:11:55 PDT)
- Ray Luo, Ph.D. (Wed May 05 2010 - 17:39:27 PDT)
- Matthias Negri (Wed May 05 2010 - 16:45:29 PDT)
- Dwight McGee (Wed May 05 2010 - 08:04:51 PDT)
- Matthias Negri (Wed May 05 2010 - 03:17:45 PDT)
[AMBER] MMPBSA.py update
- Alan (Mon May 24 2010 - 23:37:21 PDT)
- Bill Miller III (Mon May 24 2010 - 18:07:42 PDT)
- Jason Swails (Mon May 24 2010 - 18:07:34 PDT)
- Beroza, Paul (Mon May 24 2010 - 17:39:51 PDT)
- Jason Swails (Mon May 24 2010 - 15:53:24 PDT)
[AMBER] MMPBSA.py update install problem
- Bill Miller III (Mon May 31 2010 - 17:29:43 PDT)
- Jason Swails (Mon May 31 2010 - 17:29:18 PDT)
- Jason Swails (Mon May 31 2010 - 06:07:49 PDT)
- Bill Miller III (Mon May 31 2010 - 05:10:59 PDT)
- Rilei Yu (Sun May 30 2010 - 22:25:30 PDT)
- Jason Swails (Sun May 30 2010 - 20:33:44 PDT)
- Rilei Yu (Sun May 30 2010 - 18:59:28 PDT)
- Jason Swails (Sun May 30 2010 - 17:50:38 PDT)
- Bill Miller III (Sun May 30 2010 - 17:44:09 PDT)
- Rilei Yu (Sun May 30 2010 - 17:26:28 PDT)
- Bill Miller III (Sun May 30 2010 - 06:33:09 PDT)
- Jason Swails (Sun May 30 2010 - 06:32:14 PDT)
- Rilei Yu (Sat May 29 2010 - 22:28:22 PDT)
- Jason Swails (Sat May 29 2010 - 21:00:39 PDT)
- Rilei Yu (Sat May 29 2010 - 20:09:13 PDT)
- Jason Swails (Sat May 29 2010 - 06:55:22 PDT)
- Rilei Yu (Sat May 29 2010 - 04:21:31 PDT)
- Jason Swails (Fri May 28 2010 - 13:38:25 PDT)
- Bill Ross (Fri May 28 2010 - 10:20:24 PDT)
- Bill Miller III (Fri May 28 2010 - 04:05:31 PDT)
- Rilei Yu (Thu May 27 2010 - 23:21:49 PDT)
- Jason Swails (Tue May 25 2010 - 05:21:25 PDT)
- case (Tue May 25 2010 - 05:06:37 PDT)
- Bill Miller III (Tue May 25 2010 - 04:18:38 PDT)
- Rilei Yu (Mon May 24 2010 - 22:56:24 PDT)
[AMBER] MMPBSA.py.MPI
- Alan (Tue May 25 2010 - 05:39:16 PDT)
- Jason Swails (Tue May 25 2010 - 05:32:37 PDT)
- Bill Miller III (Tue May 25 2010 - 04:03:08 PDT)
- Alan (Tue May 25 2010 - 03:17:23 PDT)
[AMBER] molecular dynamics set up
- Bill Ross (Tue May 04 2010 - 17:17:11 PDT)
- Rilei Yu (Tue May 04 2010 - 17:06:44 PDT)
- Carlos Simmerling (Tue May 04 2010 - 06:07:37 PDT)
- Rilei Yu (Mon May 03 2010 - 17:49:31 PDT)
- Carlos Simmerling (Mon May 03 2010 - 16:57:05 PDT)
- Rilei Yu (Mon May 03 2010 - 16:36:06 PDT)
- case (Mon May 03 2010 - 06:57:33 PDT)
- Rilei Yu (Sun May 02 2010 - 16:58:40 PDT)
[AMBER] Mutations and minimizations
- Bill Ross (Fri May 21 2010 - 09:20:12 PDT)
- Cristina Sisu (Fri May 21 2010 - 03:35:21 PDT)
[AMBER] NaNs in wham analysis
- Lekpa Duukori (Wed May 05 2010 - 14:25:58 PDT)
- Ben Roberts (Wed May 05 2010 - 14:04:58 PDT)
- Lekpa Duukori (Wed May 05 2010 - 12:32:33 PDT)
- Ben Roberts (Wed May 05 2010 - 11:45:00 PDT)
- Lekpa Duukori (Wed May 05 2010 - 11:37:15 PDT)
[AMBER] NMR distance restraints read but not used
- Douglas Kojetin (Thu May 27 2010 - 08:36:58 PDT)
- Douglas Kojetin (Sat May 22 2010 - 10:23:56 PDT)
- Douglas Kojetin (Sat May 22 2010 - 10:00:11 PDT)
- Douglas Kojetin (Fri May 21 2010 - 12:03:43 PDT)
- case (Fri May 21 2010 - 12:01:38 PDT)
- Douglas Kojetin (Fri May 21 2010 - 11:40:19 PDT)
- Douglas Kojetin (Fri May 21 2010 - 11:30:33 PDT)
- case (Fri May 21 2010 - 11:19:38 PDT)
- Douglas Kojetin (Fri May 21 2010 - 10:40:15 PDT)
[AMBER] nmr order parameter and autocorrelation
- Samuel Genheden (Mon May 03 2010 - 21:59:53 PDT)
- luzhenw1.msu.edu (Mon May 03 2010 - 18:56:36 PDT)
- case (Mon May 03 2010 - 13:33:20 PDT)
- luzhenw1.msu.edu (Mon May 03 2010 - 12:29:52 PDT)
- Samuel Genheden (Fri Apr 30 2010 - 22:55:59 PDT)
[AMBER] NMR restraint ?
- Carlos Simmerling (Wed May 05 2010 - 03:59:51 PDT)
- xuemeiwang1103 (Wed May 05 2010 - 00:28:44 PDT)
[AMBER] nmr restraints
- case (Fri May 21 2010 - 12:15:52 PDT)
- eduardo.troche.uvigo.es (Wed May 19 2010 - 01:25:48 PDT)
[AMBER] non-standard residue parameters
- Bill Ross (Fri May 14 2010 - 09:53:53 PDT)
- FyD (Fri May 14 2010 - 00:24:04 PDT)
- Jeffrey (Thu May 13 2010 - 07:09:01 PDT)
[AMBER] nothing is written to .mdcrd file
- Carlos Simmerling (Tue May 04 2010 - 07:32:38 PDT)
- Andrew Voronkov (Tue May 04 2010 - 07:15:51 PDT)
[AMBER] ntpr ntwx too small
- Ross Walker (Wed May 05 2010 - 07:29:55 PDT)
- Jason Swails (Wed May 05 2010 - 07:29:45 PDT)
- Yunfen Wang (Wed May 05 2010 - 07:20:14 PDT)
[AMBER] NTT=3 or NTT=1
- Jason Swails (Tue May 11 2010 - 21:21:40 PDT)
- Ross Walker (Tue May 11 2010 - 21:19:32 PDT)
- Jason Swails (Tue May 11 2010 - 21:09:55 PDT)
- Ross Walker (Tue May 11 2010 - 21:09:49 PDT)
- Tom Joseph (Tue May 11 2010 - 20:40:39 PDT)
- Jason Swails (Tue May 11 2010 - 20:28:39 PDT)
- Ross Walker (Tue May 11 2010 - 20:19:55 PDT)
- Tom Joseph (Mon May 10 2010 - 10:59:17 PDT)
- Ross Walker (Sun May 09 2010 - 19:28:42 PDT)
- Homa Azizian (Sun May 09 2010 - 18:11:28 PDT)
[AMBER] ntx value for MMPBSA normal mode analysis
- Seungyeul Yoo (Tue May 18 2010 - 15:53:40 PDT)
- Bill Miller III (Tue May 18 2010 - 15:44:18 PDT)
- Seungyeul Yoo (Tue May 18 2010 - 15:31:03 PDT)
- Dwight McGee (Tue May 18 2010 - 15:18:08 PDT)
- Seungyeul Yoo (Tue May 18 2010 - 15:11:45 PDT)
[AMBER] NUCGEN
- Levi Pierce (Wed May 26 2010 - 10:18:54 PDT)
- Jason Swails (Wed May 26 2010 - 07:27:38 PDT)
- monica.imtech.res.in (Wed May 26 2010 - 04:10:02 PDT)
[AMBER] Odd softcore potential TI problem
- Paul S. Nerenberg (Tue May 18 2010 - 19:14:49 PDT)
- InSuk Joung (Tue May 18 2010 - 18:48:00 PDT)
- Paul S. Nerenberg (Tue May 18 2010 - 18:24:11 PDT)
[AMBER] Parallel installation of AMBER 11 on MacOSX
- Jason Swails (Mon May 31 2010 - 11:19:42 PDT)
- David Watson (Mon May 31 2010 - 11:16:47 PDT)
- case (Mon May 31 2010 - 11:02:25 PDT)
- George Tzotzos (Mon May 31 2010 - 09:58:36 PDT)
- case (Mon May 31 2010 - 09:35:38 PDT)
- George Tzotzos (Mon May 31 2010 - 07:52:07 PDT)
- Jason Swails (Mon May 31 2010 - 07:01:03 PDT)
- Jason Swails (Mon May 31 2010 - 06:18:59 PDT)
- George Tzotzos (Mon May 31 2010 - 06:47:27 PDT)
- George Tzotzos (Mon May 31 2010 - 02:09:41 PDT)
[AMBER] parameters for MSE (selenomethionine)
- kamlesh sahu (Thu May 20 2010 - 01:26:59 PDT)
[AMBER] parsing expressions in the radial function of ptraj
- Jose Borreguero (Fri May 07 2010 - 08:59:23 PDT)
- Ganesh Kamath (Fri May 07 2010 - 05:52:02 PDT)
- Daniel Roe (Fri May 07 2010 - 05:43:13 PDT)
- Jose Borreguero (Thu May 06 2010 - 18:41:27 PDT)
[AMBER] Percholate ions
- Hemant Kumar (Mon May 24 2010 - 02:34:25 PDT)
[AMBER] personalized addition of H atoms in proteins with tleap
- rivalta.unical.it (Wed May 26 2010 - 07:28:07 PDT)
- Gustavo Seabra (Tue May 25 2010 - 21:13:10 PDT)
- Bill Ross (Tue May 25 2010 - 17:56:39 PDT)
- rivalta.unical.it (Tue May 25 2010 - 17:34:36 PDT)
- Bill Ross (Tue May 25 2010 - 16:41:01 PDT)
- Bill Ross (Tue May 25 2010 - 16:39:17 PDT)
- Jason Swails (Tue May 25 2010 - 16:35:41 PDT)
- rivalta.unical.it (Tue May 25 2010 - 16:14:08 PDT)
[AMBER] PIMD average trajectory
- case (Wed May 12 2010 - 07:32:06 PDT)
- aapeters.ncsu.edu (Tue May 11 2010 - 13:46:45 PDT)
[AMBER] PLUMED release 1.2.0 available
- Massimiliano Bonomi (Tue May 18 2010 - 04:45:02 PDT)
[AMBER] PMEMD installation with gfortran
- Sidney Elmer (Fri May 14 2010 - 22:57:11 PDT)
- Ross Walker (Wed May 12 2010 - 07:22:46 PDT)
- Jason Swails (Wed May 12 2010 - 07:19:15 PDT)
- Senthil Natesan (Wed May 12 2010 - 06:58:11 PDT)
- Jason Swails (Wed May 12 2010 - 05:41:17 PDT)
- case (Wed May 12 2010 - 05:19:31 PDT)
- Jason Swails (Tue May 11 2010 - 20:20:05 PDT)
- Jason Swails (Tue May 11 2010 - 20:15:55 PDT)
- Jason Swails (Tue May 11 2010 - 20:14:05 PDT)
- Senthil Natesan (Tue May 11 2010 - 18:38:05 PDT)
- Jason Swails (Tue May 11 2010 - 16:10:35 PDT)
- Senthil Natesan (Tue May 11 2010 - 15:13:46 PDT)
[AMBER] PMEMD installation with gfortran - solved !
- Senthil Natesan (Wed May 12 2010 - 08:12:01 PDT)
[AMBER] PMEMD.CUDA on GTS250
- Ross Walker (Thu May 20 2010 - 14:31:27 PDT)
- Josmar R. da Rocha (Thu May 20 2010 - 11:19:36 PDT)
- Jason Swails (Thu May 20 2010 - 10:40:36 PDT)
- Scott Le Grand (Thu May 20 2010 - 10:37:34 PDT)
- Josmar R. da Rocha (Thu May 20 2010 - 10:29:35 PDT)
[AMBER] pmemd.cuda segmentation fault with iwrap=1 on NVT/NVE
- Scott Le Grand (Fri May 28 2010 - 13:00:42 PDT)
- Sasha Buzko (Fri May 28 2010 - 09:39:46 PDT)
[AMBER] Positive Etot value
- Bill Ross (Wed May 19 2010 - 10:18:08 PDT)
- Hoshin Amber (Tue May 18 2010 - 19:55:54 PDT)
[AMBER] Prepare the mutants file for ala scanning
- Jason Swails (Mon May 31 2010 - 17:32:01 PDT)
[AMBER] pressure not constant
- case (Thu May 13 2010 - 04:40:46 PDT)
- ashutosh shandilya (Thu May 13 2010 - 00:08:03 PDT)
- Ross Walker (Wed May 12 2010 - 07:25:31 PDT)
- case (Wed May 12 2010 - 05:26:26 PDT)
- ashutosh shandilya (Tue May 11 2010 - 23:25:07 PDT)
- Jason Swails (Tue May 11 2010 - 23:04:28 PDT)
- ashutosh shandilya (Tue May 11 2010 - 22:59:13 PDT)
[AMBER] Problem about Sander with large system
- Jason Swails (Wed May 26 2010 - 15:02:26 PDT)
- Tom Williams (Wed May 26 2010 - 09:33:06 PDT)
- Jason Swails (Tue May 25 2010 - 08:00:28 PDT)
- Tom Williams (Tue May 25 2010 - 07:55:09 PDT)
- Bill Ross (Mon May 24 2010 - 22:50:03 PDT)
- Tom Williams (Mon May 24 2010 - 20:45:18 PDT)
- Adrian Roitberg (Mon May 24 2010 - 20:03:24 PDT)
- Tom Williams (Mon May 24 2010 - 19:58:53 PDT)
[AMBER] Problem from ala scanning
- Rilei Yu (Fri Apr 30 2010 - 16:42:16 PDT)
- Rilei Yu (Fri Apr 30 2010 - 15:58:37 PDT)
[AMBER] Problem on B-factor Calculation
- Jason Swails (Mon May 31 2010 - 19:32:41 PDT)
[AMBER] problem on running saveAmberParm
- tianyuan meng (Sun May 09 2010 - 19:11:47 PDT)
- Bill Ross (Tue May 04 2010 - 10:26:56 PDT)
- case (Tue May 04 2010 - 04:54:23 PDT)
- tianyuan meng (Tue May 04 2010 - 02:20:26 PDT)
[AMBER] Problem on Running Shell Script
- tianyuan meng (Mon May 24 2010 - 02:38:54 PDT)
[AMBER] problem with MMPBSA
- Bill Miller III (Tue May 25 2010 - 07:20:14 PDT)
- Chanchal (Tue May 25 2010 - 06:54:18 PDT)
[AMBER] problem with targeted md simulation
- map110.pitt.edu (Fri May 14 2010 - 10:59:09 PDT)
- InSuk Joung (Fri May 14 2010 - 09:11:54 PDT)
- map110.pitt.edu (Fri May 14 2010 - 08:05:45 PDT)
- InSuk Joung (Thu May 13 2010 - 14:14:57 PDT)
- map110.pitt.edu (Thu May 13 2010 - 13:30:24 PDT)
- InSuk Joung (Thu May 13 2010 - 12:36:07 PDT)
- map110.pitt.edu (Thu May 13 2010 - 12:19:36 PDT)
[AMBER] problems enabling CUDA for Amber 11 on Mac OS X 10.6
- Jason Swails (Fri May 14 2010 - 15:12:05 PDT)
- Thomas Patko (Fri May 14 2010 - 15:03:48 PDT)
- Jason Swails (Fri May 14 2010 - 14:58:43 PDT)
- Steve Constable (Fri May 14 2010 - 13:16:58 PDT)
[AMBER] Production run for MM/PBSA
- Bill Ross (Wed May 19 2010 - 10:24:04 PDT)
- mish (Wed May 19 2010 - 07:27:54 PDT)
[AMBER] protein moves out of the box when using ptraj center image
- Sun, Yufang (Wed May 12 2010 - 10:02:21 PDT)
- Carlos Simmerling (Wed May 12 2010 - 09:48:54 PDT)
- Thomas Cheatham (Wed May 12 2010 - 09:40:28 PDT)
- Sun, Yufang (Wed May 12 2010 - 09:32:55 PDT)
- Carlos Simmerling (Wed May 12 2010 - 08:45:10 PDT)
- Sun, Yufang (Wed May 12 2010 - 08:26:56 PDT)
- Carlos Simmerling (Tue May 11 2010 - 16:59:28 PDT)
- Sun, Yufang (Tue May 11 2010 - 16:52:23 PDT)
[AMBER] ptraj clustering output: coordinates transformed?
- Beroza, Paul (Fri May 07 2010 - 08:45:20 PDT)
[AMBER] Ptraj image problems
- Jayalakshmi Sridhar (Thu May 13 2010 - 08:40:50 PDT)
- Jayalakshmi Sridhar (Thu May 13 2010 - 08:40:00 PDT)
- Jason Swails (Wed May 12 2010 - 14:19:05 PDT)
- Jayalakshmi Sridhar (Wed May 12 2010 - 13:23:10 PDT)
- Jayalakshmi Sridhar (Wed May 12 2010 - 13:19:22 PDT)
- Jayalakshmi Sridhar (Wed May 12 2010 - 13:07:28 PDT)
- Thomas Cheatham III (Wed May 12 2010 - 13:06:06 PDT)
- Jason Swails (Wed May 12 2010 - 13:01:31 PDT)
- Jayalakshmi Sridhar (Wed May 12 2010 - 12:56:42 PDT)
- Jason Swails (Wed May 12 2010 - 12:30:06 PDT)
- Bill Ross (Wed May 12 2010 - 12:25:30 PDT)
- Carlos Simmerling (Wed May 12 2010 - 12:22:37 PDT)
- Jason Swails (Wed May 12 2010 - 12:20:13 PDT)
- Jayalakshmi Sridhar (Wed May 12 2010 - 12:18:35 PDT)
- Carlos Simmerling (Wed May 12 2010 - 12:02:35 PDT)
- Jayalakshmi Sridhar (Wed May 12 2010 - 11:26:26 PDT)
[AMBER] ptraj rms error
- Daniel Roe (Tue May 25 2010 - 12:59:24 PDT)
- Beale, John (Tue May 25 2010 - 08:33:01 PDT)
[AMBER] QMMM and Thermodynamic integration
- Bill Ross (Mon May 17 2010 - 12:09:28 PDT)
- Bill Ross (Mon May 17 2010 - 11:59:25 PDT)
- InSuk Joung (Mon May 17 2010 - 11:51:19 PDT)
- InSuk Joung (Mon May 17 2010 - 11:50:20 PDT)
- Bill Ross (Mon May 17 2010 - 11:39:41 PDT)
- InSuk Joung (Mon May 17 2010 - 11:28:11 PDT)
- Bill Ross (Mon May 17 2010 - 11:01:17 PDT)
- InSuk Joung (Mon May 17 2010 - 10:58:05 PDT)
- Bill Ross (Mon May 17 2010 - 10:05:19 PDT)
- InSuk Joung (Mon May 17 2010 - 09:49:10 PDT)
- Ross Walker (Mon May 17 2010 - 09:45:34 PDT)
- InSuk Joung (Mon May 17 2010 - 09:27:00 PDT)
[AMBER] Query on the trajectory output in PDB format
- Jason Swails (Thu May 13 2010 - 07:24:37 PDT)
- nicholus bhattacharjee (Thu May 13 2010 - 06:15:17 PDT)
[AMBER] Query regarding Distance Restraints
- case (Thu May 13 2010 - 04:45:18 PDT)
- sunita gupta (Thu May 13 2010 - 01:17:35 PDT)
[AMBER] question about errors during make install
- Jason Swails (Tue May 04 2010 - 12:11:02 PDT)
- case (Tue May 04 2010 - 12:00:18 PDT)
- Emily Curtis (Tue May 04 2010 - 11:40:17 PDT)
- case (Tue May 04 2010 - 11:29:15 PDT)
- David Watson (Tue May 04 2010 - 11:25:39 PDT)
- Bill Ross (Tue May 04 2010 - 11:23:37 PDT)
- Emily Curtis (Tue May 04 2010 - 11:12:10 PDT)
- Bill Ross (Tue May 04 2010 - 11:10:46 PDT)
- Emily Curtis (Tue May 04 2010 - 10:53:10 PDT)
[AMBER] Question about running AMBER on a mac
- Mengjuei Hsieh (Tue May 04 2010 - 11:32:57 PDT)
- Emily Curtis (Tue May 04 2010 - 10:54:01 PDT)
- David Watson (Tue May 04 2010 - 06:46:15 PDT)
- Ben Roberts (Tue May 04 2010 - 06:31:40 PDT)
- Jason Swails (Tue May 04 2010 - 06:29:06 PDT)
- Emily Curtis (Tue May 04 2010 - 06:18:52 PDT)
[AMBER] question proximal radial distribution function
- Tom Williams (Thu May 27 2010 - 19:32:12 PDT)
[AMBER] radius of gyration in ptraj
- Daniel Roe (Mon May 24 2010 - 18:36:28 PDT)
- Jayalakshmi Sridhar (Mon May 24 2010 - 11:30:06 PDT)
[AMBER] RDF of centers of masses ?
- Marek Maly (Fri May 21 2010 - 07:33:07 PDT)
[AMBER] reducing number of fram in out data file
- Mengjuei Hsieh (Fri May 21 2010 - 14:59:06 PDT)
- Homa Azizian (Mon May 17 2010 - 19:34:36 PDT)
[AMBER] reg REMD
- Jason Swails (Mon May 31 2010 - 18:06:21 PDT)
- Dongshan Wei (Mon May 31 2010 - 12:04:48 PDT)
[AMBER] regarding ambertools
- Jason Swails (Thu May 06 2010 - 10:42:49 PDT)
- Asfa Ali (Thu May 06 2010 - 10:38:02 PDT)
[AMBER] regarding H-bond & torsion angles
- shamoon siddiqui (Sat May 15 2010 - 00:31:35 PDT)
- Asfa Ali (Sat May 15 2010 - 00:25:20 PDT)
- shamoon siddiqui (Fri May 14 2010 - 22:37:46 PDT)
- Asfa Ali (Fri May 14 2010 - 22:30:44 PDT)
[AMBER] regarding K+ ions
- Bill Ross (Fri May 28 2010 - 10:15:35 PDT)
- Bill Ross (Fri May 28 2010 - 10:11:09 PDT)
- Jiri Sponer (Thu May 27 2010 - 23:28:31 PDT)
- Asfa Ali (Thu May 27 2010 - 22:32:45 PDT)
[AMBER] regarding MMPBSA
- Bill Miller III (Tue May 25 2010 - 03:57:03 PDT)
- Asfa Ali (Tue May 25 2010 - 03:15:05 PDT)
[AMBER] remd convergence
- Carlos Simmerling (Tue May 18 2010 - 03:54:14 PDT)
- jani vinod (Mon May 17 2010 - 23:20:21 PDT)
[AMBER] Reply on closest waters problem
- Bill Ross (Wed May 26 2010 - 10:36:17 PDT)
- Thomas Cheatham III (Wed May 26 2010 - 10:21:51 PDT)
[AMBER] RESP check
- FyD (Mon May 24 2010 - 00:10:58 PDT)
- William Flak (Sun May 23 2010 - 15:03:21 PDT)
[AMBER] sander and ptraj problem
- manikanthan bhavaraju (Thu May 13 2010 - 10:26:45 PDT)
- Bill Ross (Thu May 13 2010 - 10:15:57 PDT)
- manikanthan bhavaraju (Thu May 13 2010 - 08:42:01 PDT)
- Bill Ross (Wed May 12 2010 - 16:15:59 PDT)
- manikanthan bhavaraju (Wed May 12 2010 - 16:00:20 PDT)
- Bill Ross (Wed May 12 2010 - 15:16:56 PDT)
- manikanthan bhavaraju (Wed May 12 2010 - 15:04:58 PDT)
- Bill Ross (Wed May 12 2010 - 14:56:31 PDT)
- manikanthan bhavaraju (Wed May 12 2010 - 14:49:32 PDT)
[AMBER] Sander vs Sander.MPI vs Pmemd
- Carlos Simmerling (Fri May 07 2010 - 03:40:33 PDT)
- Catein Catherine (Fri May 07 2010 - 03:10:23 PDT)
[AMBER] sander.MPI problem
- Dmitry Mukha (Sat May 22 2010 - 07:49:13 PDT)
- peker milas (Fri May 21 2010 - 12:33:53 PDT)
- peker milas (Fri May 21 2010 - 12:30:29 PDT)
- Gustavo Seabra (Fri May 21 2010 - 08:28:27 PDT)
- peker milas (Fri May 21 2010 - 05:47:45 PDT)
- Gustavo Seabra (Thu May 20 2010 - 13:35:23 PDT)
- peker milas (Thu May 20 2010 - 13:22:26 PDT)
- Jason Swails (Thu May 20 2010 - 12:56:41 PDT)
- peker milas (Thu May 20 2010 - 12:19:07 PDT)
[AMBER] segmentation fault while loading mol2 file and recompilation issue in antechamber and tleap
- vaibhav dixit (Thu May 13 2010 - 03:03:14 PDT)
[AMBER] serial TI with ifsc = 2 and icfe = 0
- Josh Berryman (Mon May 03 2010 - 04:08:59 PDT)
[AMBER] Setting Atom Types
- Dmitry Mukha (Fri May 28 2010 - 00:33:56 PDT)
- case (Thu May 27 2010 - 09:03:23 PDT)
- Dmitry Mukha (Thu May 27 2010 - 08:10:27 PDT)
- Mengjuei Hsieh (Thu May 27 2010 - 01:45:05 PDT)
- case (Wed May 26 2010 - 05:30:06 PDT)
- Alex Boncheff (Tue May 25 2010 - 22:00:28 PDT)
- case (Tue May 25 2010 - 12:48:14 PDT)
- Bill Ross (Tue May 25 2010 - 11:29:45 PDT)
- Alex Boncheff (Tue May 25 2010 - 11:20:44 PDT)
- Bill Ross (Tue May 25 2010 - 10:45:03 PDT)
- Alex Boncheff (Tue May 25 2010 - 08:44:17 PDT)
- Alex Boncheff (Tue May 25 2010 - 08:32:27 PDT)
[AMBER] Shaking up a XRC structure with a slightly different substrate
- Dean Cuebas (Tue May 04 2010 - 13:09:51 PDT)
[AMBER] simulations RAMD on serial and parallel version of amber8
- Waad RHAIEM (Sun May 09 2010 - 17:17:59 PDT)
[AMBER] size of real
- Scott Le Grand (Sun May 02 2010 - 12:11:58 PDT)
- Robert Duke (Sun May 02 2010 - 12:05:11 PDT)
- Scott Le Grand (Sun May 02 2010 - 11:17:07 PDT)
- Robert Duke (Sun May 02 2010 - 05:31:47 PDT)
- Tom Joseph (Sat May 01 2010 - 23:17:42 PDT)
- Robert Duke (Sat May 01 2010 - 20:16:55 PDT)
- Tom Joseph (Sat May 01 2010 - 16:11:27 PDT)
- Robert Duke (Sat May 01 2010 - 15:33:44 PDT)
- sop dadoun (Sat May 01 2010 - 15:14:57 PDT)
- Robert Duke (Sat May 01 2010 - 07:39:59 PDT)
- Jason Swails (Sat May 01 2010 - 07:25:29 PDT)
- sop dadoun (Sat May 01 2010 - 06:03:59 PDT)
- sop dadoun (Sat May 01 2010 - 06:02:34 PDT)
[AMBER] skinnb and energy conservation
- Ross Walker (Wed May 12 2010 - 20:07:07 PDT)
- Scott Le Grand (Wed May 12 2010 - 17:27:47 PDT)
- Jason Swails (Wed May 12 2010 - 13:24:26 PDT)
- liu junjun (Wed May 12 2010 - 13:11:52 PDT)
- Robert Duke (Wed May 12 2010 - 10:11:51 PDT)
- Crowley, Michael (Wed May 12 2010 - 10:03:14 PDT)
- Bill Ross (Wed May 12 2010 - 10:00:40 PDT)
- case (Wed May 12 2010 - 09:57:21 PDT)
- Robert Duke (Wed May 12 2010 - 09:50:38 PDT)
- liu junjun (Wed May 12 2010 - 09:39:18 PDT)
[AMBER] sleap bugs or compilation problem?!
- case (Fri May 21 2010 - 07:48:09 PDT)
- Bill Ross (Thu May 20 2010 - 14:22:19 PDT)
- Dino Rogerio Coinete Franklin (Thu May 20 2010 - 14:09:40 PDT)
[AMBER] Solvate box
- Bill Ross (Wed May 26 2010 - 09:46:22 PDT)
- Gustavo Seabra (Wed May 26 2010 - 06:44:15 PDT)
- JoRDi (Wed May 26 2010 - 05:07:26 PDT)
[AMBER] solvent MD - poor equilibration
- Ross Walker (Tue May 18 2010 - 08:30:45 PDT)
- Carlos Simmerling (Tue May 18 2010 - 08:04:52 PDT)
- Senthil Natesan (Tue May 18 2010 - 07:17:03 PDT)
- Carlos Simmerling (Mon May 17 2010 - 19:41:59 PDT)
- Senthil Natesan (Mon May 17 2010 - 18:33:10 PDT)
- Bill Ross (Mon May 17 2010 - 16:14:48 PDT)
- Senthil Natesan (Mon May 17 2010 - 15:57:01 PDT)
- Bill Ross (Mon May 17 2010 - 13:58:16 PDT)
- Bill Ross (Mon May 17 2010 - 13:54:51 PDT)
- Paul S. Nerenberg (Mon May 17 2010 - 13:53:44 PDT)
- Ross Walker (Mon May 17 2010 - 13:26:10 PDT)
- Senthil Natesan (Mon May 17 2010 - 13:14:59 PDT)
- Bill Ross (Mon May 17 2010 - 12:31:12 PDT)
- Senthil Natesan (Mon May 17 2010 - 12:12:07 PDT)
- Paul S. Nerenberg (Mon May 17 2010 - 10:47:38 PDT)
- Bill Ross (Mon May 17 2010 - 10:46:14 PDT)
- Carlos Simmerling (Mon May 17 2010 - 10:40:51 PDT)
- Senthil Natesan (Mon May 17 2010 - 10:34:56 PDT)
- Bill Ross (Mon May 17 2010 - 09:48:19 PDT)
- Senthil Natesan (Mon May 17 2010 - 06:46:25 PDT)
- Bill Ross (Fri May 14 2010 - 13:08:32 PDT)
- Senthil Natesan (Fri May 14 2010 - 12:31:48 PDT)
[AMBER] SPC/E and TIP3P water models
- case (Tue May 11 2010 - 11:18:31 PDT)
- piotrek.vega.umcs.lublin.pl (Tue May 11 2010 - 10:19:12 PDT)
[AMBER] Square planar complex and improper torsions
- Robert Elder (Wed May 26 2010 - 16:40:19 PDT)
- Bill Ross (Tue May 25 2010 - 10:58:34 PDT)
- Robert Elder (Tue May 25 2010 - 09:01:54 PDT)
- Bill Ross (Mon May 24 2010 - 17:06:49 PDT)
- Robert Elder (Mon May 24 2010 - 16:36:47 PDT)
[AMBER] subscribe
- sjn_sk.hotmail.com (Wed May 12 2010 - 21:33:28 PDT)
[AMBER] TER dfinition at the middile of pdb file
- Homa Azizian (Fri Apr 30 2010 - 17:41:38 PDT)
[AMBER] test run error during compilation of amber10 in linux
- Jason Swails (Fri May 28 2010 - 07:36:21 PDT)
- Sangita Kachhap (Fri May 28 2010 - 07:11:55 PDT)
[AMBER] test run error in amber10 installation
- case (Sat May 29 2010 - 08:20:04 PDT)
- Sangita Kachhap (Sat May 29 2010 - 04:12:22 PDT)
[AMBER] Thank you all
- William Flak (Mon May 24 2010 - 08:12:39 PDT)
[AMBER] The force field
- FyD (Fri May 21 2010 - 22:36:25 PDT)
- xuemeiwang1103 (Fri May 21 2010 - 02:13:14 PDT)
[AMBER] The lib file
- xuemeiwang1103 (Mon May 24 2010 - 19:23:54 PDT)
[AMBER] TI Job crashes at some lambda values during heating
- manikanthan bhavaraju (Tue May 25 2010 - 08:35:45 PDT)
- sunita gupta (Mon May 24 2010 - 23:43:57 PDT)
- manikanthan bhavaraju (Mon May 24 2010 - 17:50:47 PDT)
- sunita gupta (Mon May 24 2010 - 03:14:43 PDT)
- manikanthan bhavaraju (Sat May 22 2010 - 20:47:19 PDT)
- case (Sat May 22 2010 - 17:18:44 PDT)
- sunita gupta (Sat May 22 2010 - 05:20:52 PDT)
[AMBER] TI using soft-core potential
- Sushil Mishra (Wed May 26 2010 - 06:26:08 PDT)
- case (Wed May 26 2010 - 06:06:51 PDT)
- steinbrt.rci.rutgers.edu (Wed May 26 2010 - 06:03:32 PDT)
- case (Wed May 26 2010 - 05:35:46 PDT)
- Sushil Mishra (Wed May 26 2010 - 04:55:00 PDT)
- steinbrt.rci.rutgers.edu (Wed May 26 2010 - 04:49:19 PDT)
- Sushil Mishra (Wed May 26 2010 - 02:54:07 PDT)
[AMBER] tleap problems in Fedora Core 12
- Jason Swails (Mon May 17 2010 - 11:54:54 PDT)
- Omair A. Khan (Mon May 17 2010 - 11:49:24 PDT)
- case (Fri May 14 2010 - 18:17:30 PDT)
- Jason Swails (Fri May 14 2010 - 14:35:11 PDT)
- case (Fri May 14 2010 - 12:58:27 PDT)
[AMBER] tleap segmentation fault
- case (Wed May 12 2010 - 17:58:54 PDT)
- Jason Swails (Wed May 12 2010 - 15:15:01 PDT)
- Omair A. Khan (Wed May 12 2010 - 14:57:17 PDT)
- case (Tue May 11 2010 - 14:57:20 PDT)
- Bill Ross (Tue May 11 2010 - 14:39:34 PDT)
- Jason Swails (Tue May 11 2010 - 14:28:36 PDT)
- Omair A. Khan (Tue May 11 2010 - 14:27:41 PDT)
- Bill Ross (Tue May 11 2010 - 13:03:54 PDT)
- Omair A. Khan (Tue May 11 2010 - 12:55:26 PDT)
- Bill Ross (Tue May 11 2010 - 10:39:06 PDT)
- Omair A. Khan (Tue May 11 2010 - 06:19:43 PDT)
- Omair A. Khan (Mon May 10 2010 - 15:23:53 PDT)
[AMBER] to post amber list
- Jason Swails (Wed May 05 2010 - 06:54:09 PDT)
- Navanath Kumbhar (Wed May 05 2010 - 05:22:25 PDT)
[AMBER] umbrella sampling method or steered MD should be used?
- Catein Catherine (Thu May 20 2010 - 16:22:07 PDT)
- Adrian Roitberg (Thu May 20 2010 - 12:41:36 PDT)
- Jerome Golebiowski (Thu May 20 2010 - 02:58:48 PDT)
- Catein Catherine (Thu May 20 2010 - 02:29:44 PDT)
- Jerome Golebiowski (Thu May 20 2010 - 01:24:54 PDT)
- steinbrt.rci.rutgers.edu (Thu May 20 2010 - 00:41:56 PDT)
- Catein Catherine (Wed May 19 2010 - 23:27:29 PDT)
[AMBER] unable to view grid file of ptraj
- Hyma vathi (Tue May 25 2010 - 10:35:17 PDT)
- Thomas Cheatham III (Tue May 25 2010 - 08:29:24 PDT)
- Hyma vathi (Tue May 25 2010 - 07:42:41 PDT)
[AMBER] Undefined symbols: "___builtin___strcpy_chk" and more
- case (Sat May 01 2010 - 19:36:13 PDT)
- Mengjuei Hsieh (Sat May 01 2010 - 18:23:06 PDT)
[AMBER] unsubscribe
- Robert Elder (Thu May 06 2010 - 05:34:45 PDT)
- Cojocaru,Vlad (Thu May 06 2010 - 01:12:19 PDT)
[AMBER] use of "ambmask" ?
- Ben Roberts (Tue May 04 2010 - 06:49:58 PDT)
- Senthil Natesan (Mon May 03 2010 - 08:52:51 PDT)
[AMBER] use of "ambmask" ? & freezing selected residues
- Senthil Natesan (Tue May 04 2010 - 14:23:32 PDT)
[AMBER] viewing resp esout files
- Sidney Elmer (Fri May 14 2010 - 23:29:50 PDT)
- FyD (Thu May 13 2010 - 23:44:17 PDT)
- Sidney Elmer (Mon May 10 2010 - 20:30:04 PDT)
[AMBER] what is the meaning of GBSA decompostion results for drug-drug interaction?
- Jason Swails (Thu May 27 2010 - 06:36:25 PDT)
- Catein Catherine (Thu May 27 2010 - 00:37:58 PDT)
[AMBER] writing in ptraj a new action requiring prior knowledge of the average coordinates
- Jose Borreguero (Mon May 24 2010 - 20:22:06 PDT)
- Daniel Roe (Mon May 24 2010 - 18:45:40 PDT)
- Jose Borreguero (Mon May 24 2010 - 18:39:54 PDT)
- Ross Walker (Mon May 24 2010 - 18:25:25 PDT)
- Jose Borreguero (Mon May 24 2010 - 17:41:33 PDT)
[AMBER] writing mode
- Qian Wang (Tue May 25 2010 - 12:59:34 PDT)
[AMBER] xgrid in opempi 1.4.1 still broken
- Alan (Sun May 02 2010 - 10:28:04 PDT)
- David Watson (Sat May 01 2010 - 19:28:00 PDT)
- Mengjuei Hsieh (Sat May 01 2010 - 18:49:50 PDT)
[AMBER] You're invited with Honour to the ..... http://www.billiardprofile.com
- http://www.cuesportz.com/CueWeb/index.faces?afl=R00004E4 (Sat May 08 2010 - 22:11:03 PDT)
- http://www.cuesportz.com/CueWeb/index.faces?afl=R00004E4 (Sat May 08 2010 - 22:09:34 PDT)
about SHAKE and double x single precision
- Alan (Thu May 13 2010 - 08:13:36 PDT)
about xleap parameter files
- Ross Walker (Tue May 04 2010 - 06:31:12 PDT)
AMBER Wiki
- Steve Seibold (Wed May 05 2010 - 06:32:50 PDT)
- Carlos Simmerling (Wed May 05 2010 - 06:23:29 PDT)
- Gannett, Peter (Wed May 05 2010 - 05:48:11 PDT)
Amber11 installation on MacOS10.6 COMPLETE
- David Watson (Tue May 18 2010 - 09:25:28 PDT)
- erik zuiderweg (Tue May 18 2010 - 09:14:53 PDT)
Fortran runtime error: Bad value during integer read
- FyD (Mon May 03 2010 - 00:06:22 PDT)
Fwd: [AMBER] Problem about Sander with large system
- Jason Swails (Tue May 25 2010 - 13:46:13 PDT)
parallel problem for systems only including bond, angle and dihedral interactions
- Dongshan Wei (Tue May 25 2010 - 10:16:36 PDT)
PROGRESS! [AMBER] installation on MacOS10.6
- Mengjuei Hsieh (Mon May 17 2010 - 15:45:33 PDT)
- erik zuiderweg (Mon May 17 2010 - 15:35:11 PDT)
- Jason Swails (Mon May 17 2010 - 13:01:00 PDT)
- Mengjuei Hsieh (Mon May 17 2010 - 12:56:20 PDT)
- erik zuiderweg (Mon May 17 2010 - 12:44:21 PDT)
- Jason Swails (Mon May 17 2010 - 11:33:00 PDT)
- erik zuiderweg (Mon May 17 2010 - 11:30:16 PDT)
- Mengjuei Hsieh (Mon May 17 2010 - 11:02:54 PDT)
- erik zuiderweg (Mon May 17 2010 - 10:46:57 PDT)
- erik zuiderweg (Mon May 17 2010 - 10:46:38 PDT)
- Bill Ross (Mon May 17 2010 - 09:59:11 PDT)
- Mengjuei Hsieh (Mon May 17 2010 - 09:44:47 PDT)
- Paul S. Nerenberg (Mon May 17 2010 - 09:34:09 PDT)
- erik zuiderweg (Mon May 17 2010 - 08:57:26 PDT)
- Mengjuei Hsieh (Sun May 16 2010 - 13:13:37 PDT)
- erik zuiderweg (Sun May 16 2010 - 12:27:10 PDT)
serial TI with ifsc = 2 and icfe = 0
- Josh Berryman (Mon May 03 2010 - 10:31:13 PDT)

Amber Archive May 2010 by subject