AMBER Archive (2009) - Nov 2009 By Subject

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About this archive

Starting: Sun Nov 01 2009 - 11:59:34 CST
Ending: Mon Nov 23 2009 - 13:50:42 CST

[AMBER] -np not 2^x a problem w/ sander???
- Ross Walker (Fri Nov 06 2009 - 19:43:04 CST)
- Dean Cuebas (Fri Nov 06 2009 - 13:27:48 CST)
[AMBER] -np not 2^x a problem w/ sander??? update
- Ross Walker (Sat Nov 07 2009 - 10:31:36 CST)
- Dean Cuebas (Fri Nov 06 2009 - 13:46:39 CST)
[AMBER] 60 giga output file .mdcrd file
- case (Wed Nov 04 2009 - 06:17:47 CST)
- Ross Walker (Tue Nov 03 2009 - 17:10:17 CST)
- Silvia Carlotto (Tue Nov 03 2009 - 10:42:43 CST)
- Richard Owczarzy (Tue Nov 03 2009 - 09:14:44 CST)
- Jason Swails (Tue Nov 03 2009 - 07:49:01 CST)
- Fernando Martín García (Tue Nov 03 2009 - 04:35:41 CST)
- Silvia Carlotto (Tue Nov 03 2009 - 04:24:03 CST)
- Ross Walker (Mon Nov 02 2009 - 17:36:48 CST)
- Peter Schmidtke (Mon Nov 02 2009 - 12:40:48 CST)
- Silvia Carlotto (Mon Nov 02 2009 - 11:41:32 CST)
[AMBER] about divcon
- Jason Swails (Wed Nov 18 2009 - 13:09:43 CST)
- Alan (Wed Nov 18 2009 - 11:07:44 CST)
- case (Wed Nov 18 2009 - 10:53:16 CST)
- Alan (Wed Nov 18 2009 - 10:24:51 CST)
[AMBER] About zinc parameters ?
- Sally Pias (Tue Nov 17 2009 - 11:38:29 CST)
- Jason Swails (Tue Nov 17 2009 - 09:17:23 CST)
- steinbrt_at_rci.rutgers.edu (Tue Nov 17 2009 - 04:35:24 CST)
- xuemeiwang1103 (Tue Nov 17 2009 - 02:52:56 CST)
[AMBER] amber 10 test failures...
- peker milas (Tue Nov 03 2009 - 08:11:01 CST)
- Jason Swails (Mon Nov 02 2009 - 18:19:43 CST)
- Mark Williamson (Mon Nov 02 2009 - 18:11:40 CST)
- Ross Walker (Mon Nov 02 2009 - 17:36:48 CST)
- peker milas (Mon Nov 02 2009 - 08:18:29 CST)
[AMBER] amber 9 compilation
- Myunggi Yi (Fri Nov 06 2009 - 09:13:00 CST)
[AMBER] amber parameter file creation and usage
- Donald Keidel (Wed Nov 04 2009 - 11:53:23 CST)
- Jason Swails (Tue Nov 03 2009 - 23:29:30 CST)
- Donald Keidel (Tue Nov 03 2009 - 22:47:36 CST)
[AMBER] amber9 compilation
- David Watson (Fri Nov 06 2009 - 10:16:58 CST)
- Myunggi Yi (Fri Nov 06 2009 - 09:50:25 CST)
- David Watson (Fri Nov 06 2009 - 09:19:31 CST)
- Myunggi Yi (Fri Nov 06 2009 - 09:10:03 CST)
[AMBER] AMBER: segmentation fault when running parmchk
- Junmei Wang (Wed Nov 04 2009 - 13:22:54 CST)
- Bill Ross (Wed Nov 04 2009 - 12:39:32 CST)
- Mark Williamson (Wed Nov 04 2009 - 11:06:53 CST)
- Alexander Boncheff (Wed Nov 04 2009 - 10:02:50 CST)
- Bill Ross (Tue Nov 03 2009 - 17:15:00 CST)
- Alexander Boncheff (Tue Nov 03 2009 - 16:29:00 CST)
- Jason Swails (Tue Nov 03 2009 - 14:22:10 CST)
- Alexander Boncheff (Tue Nov 03 2009 - 13:41:55 CST)
[AMBER] AmberTools 1.2 Installation on Ubuntu 9.10 Karmic Koala
- Wallace Kunin (Thu Nov 12 2009 - 10:05:03 CST)
- Ross Walker (Thu Nov 12 2009 - 04:52:44 CST)
- Wallace Kunin (Thu Nov 12 2009 - 02:15:40 CST)
- case (Wed Nov 11 2009 - 16:36:59 CST)
- Jason Swails (Wed Nov 11 2009 - 16:30:35 CST)
- Wallace Kunin (Wed Nov 11 2009 - 16:04:28 CST)
- Bill Ross (Wed Nov 11 2009 - 11:54:01 CST)
- David Watson (Wed Nov 11 2009 - 10:56:01 CST)
- Giorgio Maccari (Wed Nov 11 2009 - 10:53:04 CST)
- Wallace Kunin (Wed Nov 11 2009 - 08:17:42 CST)
- case (Tue Nov 10 2009 - 10:28:17 CST)
- Wallace Kunin (Tue Nov 10 2009 - 09:41:18 CST)
- David Watson (Mon Nov 09 2009 - 18:25:12 CST)
- David Watson (Mon Nov 09 2009 - 16:35:32 CST)
- Wallace Kunin (Mon Nov 09 2009 - 16:05:32 CST)
- case (Mon Nov 09 2009 - 14:41:59 CST)
- Mark Williamson (Mon Nov 09 2009 - 14:14:03 CST)
- case (Mon Nov 09 2009 - 14:02:42 CST)
- David Watson (Mon Nov 09 2009 - 13:28:31 CST)
- Wallace Kunin (Mon Nov 09 2009 - 13:14:25 CST)
[AMBER] AmberTools 1.3 has a likely release date?
- case (Fri Nov 20 2009 - 08:50:23 CST)
- Alan (Thu Nov 19 2009 - 12:15:30 CST)
[AMBER] ambr parameter file creation and usage
- Donald Keidel (Tue Nov 03 2009 - 22:39:38 CST)
[AMBER] analyzeMatrix: cannot find a match in the matrixInfoStack
- Naser Alijabbari (Sun Nov 08 2009 - 19:43:56 CST)
[AMBER] Antechamber and Parmchk problems
- Junmei Wang (Thu Nov 05 2009 - 15:16:51 CST)
- cyk5056 (Thu Nov 05 2009 - 12:59:28 CST)
- Junmei Wang (Wed Nov 04 2009 - 15:07:35 CST)
- cyk5056 (Wed Nov 04 2009 - 14:37:55 CST)
- cyk5056 (Wed Nov 04 2009 - 13:56:32 CST)
- Junmei Wang (Wed Nov 04 2009 - 13:21:25 CST)
- case (Wed Nov 04 2009 - 09:26:03 CST)
- cyk5056 (Tue Nov 03 2009 - 20:22:38 CST)
[AMBER] Asking help for parallel installation of Amber9
- David Watson (Wed Nov 18 2009 - 12:04:38 CST)
- Bill Ross (Wed Nov 18 2009 - 11:48:51 CST)
- David Watson (Wed Nov 18 2009 - 07:23:17 CST)
- nicholus bhattacharjee (Wed Nov 18 2009 - 07:00:36 CST)
- David Watson (Wed Nov 18 2009 - 06:36:03 CST)
- nicholus bhattacharjee (Wed Nov 18 2009 - 06:27:03 CST)
[AMBER] build up solvate box
- Huikuan Chao (Sat Nov 07 2009 - 14:29:50 CST)
[AMBER] Calculaiton stop ?
- xuemeiwang1103 (Thu Nov 05 2009 - 07:11:31 CST)
[AMBER] Can I get an average trajectory?
- cyk5056 (Wed Nov 18 2009 - 10:02:38 CST)
- Carlos Simmerling (Wed Nov 18 2009 - 06:08:59 CST)
- cyk5056 (Tue Nov 17 2009 - 22:46:25 CST)
[AMBER] coarse-grained MD
- Francesco Pietra (Wed Nov 11 2009 - 02:27:27 CST)
[AMBER] combining parameter files of ligand and enzyme
- FyD (Wed Nov 18 2009 - 01:49:23 CST)
- Amire-Brahimi Benjamin (Tue Nov 17 2009 - 16:31:32 CST)
[AMBER] compilation problem of amber
- Jason Swails (Tue Nov 17 2009 - 08:51:42 CST)
- sculiujl (Tue Nov 17 2009 - 01:33:52 CST)
[AMBER] compilation problem of amber9
- Jason Swails (Tue Nov 17 2009 - 08:55:46 CST)
- sculiujl (Tue Nov 17 2009 - 01:03:22 CST)
[AMBER] conversion of kelvin to kcal/mol
- aneesh cna (Mon Nov 09 2009 - 00:56:36 CST)
- manoj singh (Sun Nov 08 2009 - 23:17:03 CST)
- aneesh cna (Sun Nov 08 2009 - 23:08:33 CST)
[AMBER] Creating new residue with tleap.
- case (Wed Nov 11 2009 - 06:37:47 CST)
- rrd (Wed Nov 11 2009 - 05:02:23 CST)
[AMBER] enquiry regarding parameter file to be used
- Carlos Simmerling (Fri Nov 20 2009 - 05:20:05 CST)
- bharat lakhani (Thu Nov 19 2009 - 23:35:14 CST)
- Carlos Simmerling (Mon Nov 16 2009 - 05:40:49 CST)
- bharat lakhani (Fri Nov 13 2009 - 23:52:58 CST)
- Carlos Simmerling (Fri Nov 13 2009 - 07:41:50 CST)
- bharat lakhani (Fri Nov 13 2009 - 07:35:30 CST)
[AMBER] error in kclust of MMTB_tool set
- kureeckal ramesh (Tue Nov 10 2009 - 06:41:31 CST)
- kureeckal ramesh (Sun Nov 08 2009 - 18:10:58 CST)
- kureeckal ramesh (Fri Nov 06 2009 - 01:33:01 CST)
[AMBER] error in reading namelist cntrl
- Ross Walker (Tue Nov 03 2009 - 16:57:58 CST)
- Giuseppe De Marco (Tue Nov 03 2009 - 13:44:01 CST)
[AMBER] error reading namelist cntrl
- Jason Swails (Wed Nov 11 2009 - 08:01:42 CST)
- Shaikh Abdul R S Ramaju (Wed Nov 11 2009 - 00:51:45 CST)
[AMBER] errors on leap for a RNA + Non-Standard molecule pdb structure
- Yunjie Zhao (Thu Nov 19 2009 - 22:37:34 CST)
[AMBER] errors on leap for a RNA+Adenine pdb structure
- FyD (Wed Nov 04 2009 - 07:39:02 CST)
- zgong.hust (Wed Nov 04 2009 - 06:59:20 CST)
- case (Wed Nov 04 2009 - 06:17:53 CST)
- zgong.hust (Wed Nov 04 2009 - 00:18:41 CST)
[AMBER] errors on leap for a RNA+Adenine pdb structure with antechamber
- FyD (Wed Nov 04 2009 - 09:28:04 CST)
- zgong.hust (Wed Nov 04 2009 - 09:07:23 CST)
[AMBER] errors on leap for a RNA+Adenine pdb structure withantechamber
- FyD (Wed Nov 04 2009 - 23:42:43 CST)
- zgong.hust (Wed Nov 04 2009 - 20:18:52 CST)
[AMBER] Etot positive
- Ross Walker (Mon Nov 16 2009 - 20:50:02 CST)
- Carlos Simmerling (Mon Nov 16 2009 - 05:13:55 CST)
- Jio M (Sun Nov 15 2009 - 23:06:22 CST)
[AMBER] ff fitting ?
- Marek Maly (Mon Nov 09 2009 - 06:38:35 CST)
- case (Sun Nov 08 2009 - 11:42:42 CST)
- Marek Maly (Thu Nov 05 2009 - 15:38:38 CST)
[AMBER] Fortran error in standard simulation
- Oliver Kuhn (Mon Nov 23 2009 - 03:26:30 CST)
[AMBER] Fortran error in standard simulation 2
- Oliver Kuhn (Mon Nov 23 2009 - 03:34:21 CST)
[AMBER] Fortran error in standard simulation 3
- Oliver Kuhn (Mon Nov 23 2009 - 03:47:44 CST)
[AMBER] Gaussian log file error
- Junmei Wang (Mon Nov 02 2009 - 09:58:10 CST)
- Ben Roberts (Mon Nov 02 2009 - 09:16:23 CST)
[AMBER] GB and Atom Type
- Sally Pias (Wed Nov 18 2009 - 23:11:27 CST)
- Alexander Seifert (Wed Nov 18 2009 - 02:58:32 CST)
[AMBER] Getting minimized .pdb file without non-polar hydrogens
- Francesco Pietra (Mon Nov 09 2009 - 13:31:40 CST)
[AMBER] Gly -> Ala mutation
- manoj singh (Mon Nov 09 2009 - 10:26:00 CST)
- Adrian Roitberg (Mon Nov 09 2009 - 10:13:11 CST)
- manoj singh (Mon Nov 09 2009 - 10:10:40 CST)
- Carlos Simmerling (Mon Nov 09 2009 - 09:13:08 CST)
- manoj singh (Sun Nov 08 2009 - 15:18:37 CST)
- Jason Swails (Sun Nov 08 2009 - 14:16:42 CST)
- manoj singh (Sun Nov 08 2009 - 13:14:23 CST)
- Jason Swails (Sun Nov 08 2009 - 11:53:29 CST)
- manoj singh (Sun Nov 08 2009 - 11:25:46 CST)
[AMBER] have a question
- Bill Ross (Tue Nov 17 2009 - 20:02:45 CST)
- jacky zhao (Tue Nov 17 2009 - 19:54:36 CST)
[AMBER] HB for each snapshot
- Nicolas Sapay (Thu Nov 05 2009 - 02:30:51 CST)
- Jason Swails (Wed Nov 04 2009 - 13:35:07 CST)
- Marcin Krol (Wed Nov 04 2009 - 13:14:41 CST)
[AMBER] hbond analysis by ptraj- segmentation fault
- Jayalakshmi Sridhar (Mon Nov 23 2009 - 12:36:25 CST)
- Daniel Roe (Mon Nov 23 2009 - 11:49:23 CST)
- Daniel Roe (Mon Nov 23 2009 - 11:42:49 CST)
- Jayalakshmi Sridhar (Mon Nov 23 2009 - 09:51:00 CST)
[AMBER] High-temperature simulation ?
- Carlos Simmerling (Wed Nov 11 2009 - 11:26:15 CST)
- Chih-Ying Lin (Wed Nov 11 2009 - 09:36:16 CST)
[AMBER] How to change the input matrix for "analyze matrix" instruction?
- ³ÂÒ»Ù© (Wed Nov 18 2009 - 10:18:51 CST)
- cyk5056 (Tue Nov 17 2009 - 22:37:43 CST)
[AMBER] How to split mdcrd files
- Thomas Cheatham (Sun Nov 15 2009 - 15:06:34 CST)
- Carlos Simmerling (Sun Nov 15 2009 - 11:56:48 CST)
- Jason Swails (Sun Nov 15 2009 - 11:35:24 CST)
- Carlos Simmerling (Sun Nov 15 2009 - 11:28:06 CST)
- shamoon siddiqui (Sun Nov 15 2009 - 11:22:52 CST)
[AMBER] Hydrogen bond analysis for protein dna complex using ptraj
- Thomas Cheatham (Sat Nov 14 2009 - 11:06:15 CST)
- shamoon siddiqui (Sat Nov 14 2009 - 10:19:04 CST)
- Carlos Simmerling (Sat Nov 14 2009 - 10:00:39 CST)
- shamoon siddiqui (Sat Nov 14 2009 - 09:56:04 CST)
[AMBER] implicit_run_error
- case (Fri Nov 20 2009 - 08:53:31 CST)
- balaji nagarajan (Thu Nov 19 2009 - 12:37:21 CST)
[AMBER] Increase Temperature to 550 K
- Carlos Simmerling (Fri Nov 13 2009 - 07:35:28 CST)
- FyD (Fri Nov 13 2009 - 05:43:48 CST)
- Chih-Ying Lin (Thu Nov 12 2009 - 22:36:07 CST)
- Carlos Simmerling (Thu Nov 12 2009 - 16:29:13 CST)
- Chih-Ying Lin (Thu Nov 12 2009 - 15:59:11 CST)
- Carlos Simmerling (Thu Nov 12 2009 - 08:22:08 CST)
- case (Thu Nov 12 2009 - 06:55:18 CST)
- FyD (Thu Nov 12 2009 - 01:51:24 CST)
- Carlos Simmerling (Wed Nov 11 2009 - 15:14:24 CST)
- Chih-Ying Lin (Wed Nov 11 2009 - 15:08:12 CST)
- Carlos Simmerling (Wed Nov 11 2009 - 11:52:55 CST)
- Chih-Ying Lin (Wed Nov 11 2009 - 09:27:41 CST)
[AMBER] Installing AMBER 10 on Ubuntu 9.10 Karmic Koala
- Jason Swails (Wed Nov 18 2009 - 13:00:09 CST)
- Wallace Kunin (Wed Nov 18 2009 - 08:21:57 CST)
- case (Tue Nov 17 2009 - 11:29:42 CST)
- Wallace Kunin (Tue Nov 17 2009 - 09:20:13 CST)
- Mark Williamson (Mon Nov 16 2009 - 13:49:58 CST)
- Wallace Kunin (Mon Nov 16 2009 - 13:07:20 CST)
- Mark Williamson (Mon Nov 16 2009 - 11:37:18 CST)
- Wallace Kunin (Mon Nov 16 2009 - 10:43:18 CST)
[AMBER] Is it possible to simulate transmembrane protein with GB model ?
- cgji (Mon Nov 02 2009 - 14:52:44 CST)
[AMBER] Is it taking too much time
- Nicolas Sapay (Tue Nov 03 2009 - 02:57:55 CST)
- nicholus bhattacharjee (Mon Nov 02 2009 - 23:35:04 CST)
- nicholus bhattacharjee (Mon Nov 02 2009 - 23:14:26 CST)
- Ross Walker (Mon Nov 02 2009 - 17:36:48 CST)
- Nicolas SAPAY (Mon Nov 02 2009 - 09:00:58 CST)
- nicholus bhattacharjee (Mon Nov 02 2009 - 08:40:25 CST)
- Nicolas SAPAY (Mon Nov 02 2009 - 08:19:17 CST)
- manoj singh (Mon Nov 02 2009 - 07:50:21 CST)
- nicholus bhattacharjee (Mon Nov 02 2009 - 02:37:28 CST)
- manoj singh (Mon Nov 02 2009 - 01:31:07 CST)
- nicholus bhattacharjee (Mon Nov 02 2009 - 00:08:46 CST)
[AMBER] is rst file the last structure?
- case (Sun Nov 15 2009 - 08:33:16 CST)
- Jason Swails (Sat Nov 14 2009 - 11:18:22 CST)
- qiaoyan (Fri Nov 13 2009 - 22:52:40 CST)
[AMBER] Is the integral value from RDF the same as average number of atoms?
- Gustaf Olsson (go22bi_at_student.hik.se) (Wed Nov 18 2009 - 15:56:31 CST)
[AMBER] linux version for Amber10
- liangchen88_at_ucla.edu (Sat Nov 07 2009 - 21:59:53 CST)
- Jason Swails (Sat Nov 07 2009 - 21:38:41 CST)
- Sudeep Narayan Banerjee (Sat Nov 07 2009 - 20:56:19 CST)
- Peter Schmidtke (Sat Nov 07 2009 - 09:58:18 CST)
- liangchen88_at_ucla.edu (Sat Nov 07 2009 - 09:28:05 CST)
- liangchen88_at_ucla.edu (Sat Nov 07 2009 - 09:28:05 CST)
[AMBER] Lisp library for amber analysis?
- Eric Shamay (Wed Nov 11 2009 - 15:54:12 CST)
[AMBER] LJ parameters for HO and HW
- Bill Ross (Mon Nov 09 2009 - 11:29:40 CST)
- steinbrt_at_rci.rutgers.edu (Mon Nov 09 2009 - 02:23:20 CST)
- Jason Swails (Sun Nov 08 2009 - 09:14:45 CST)
- manoj singh (Sun Nov 08 2009 - 00:09:13 CST)
- Jason Swails (Sat Nov 07 2009 - 23:50:03 CST)
- manoj singh (Sat Nov 07 2009 - 23:21:22 CST)
[AMBER] looking for parameters for DHFR substrates and inhibitors...
- Sidney Elmer (Sat Nov 21 2009 - 22:47:50 CST)
[AMBER] Low frequency Raman spectra
- case (Sat Nov 07 2009 - 09:02:02 CST)
- babak minoofar (Sat Nov 07 2009 - 06:53:37 CST)
[AMBER] matrixInfoStack
- Naser Alijabbari (Mon Nov 23 2009 - 08:42:43 CST)
- Naser Alijabbari (Fri Nov 13 2009 - 08:52:52 CST)
- Naser Alijabbari (Tue Nov 10 2009 - 08:45:12 CST)
[AMBER] MD snapshots of most probable protein conformations in Amber
- Carlos Simmerling (Wed Nov 18 2009 - 11:14:50 CST)
- Andrew Voronkov (Wed Nov 18 2009 - 09:33:54 CST)
- Andrew Voronkov (Wed Nov 18 2009 - 09:32:11 CST)
- Carlos Simmerling (Wed Nov 18 2009 - 07:53:14 CST)
- Renata KWIECIEN (Wed Nov 18 2009 - 07:39:52 CST)
- Andrew Voronkov (Wed Nov 18 2009 - 07:09:52 CST)
- Adrian Roitberg (Thu Nov 12 2009 - 07:30:53 CST)
- Andrew Voronkov (Thu Nov 12 2009 - 07:23:22 CST)
[AMBER] MM_PBSA energy per residue
- Hemant Kumar (Thu Nov 12 2009 - 08:27:22 CST)
[AMBER] MM_PBSA enquiries
- manoj singh (Sun Nov 08 2009 - 09:21:12 CST)
- s. Bill (Sun Nov 08 2009 - 08:53:04 CST)
[AMBER] MMTSB tool set PDF
- kureeckal ramesh (Tue Nov 10 2009 - 08:02:39 CST)
[AMBER] MPI process terminated unexpectedly after cluster upgrade
- Ross Walker (Thu Nov 05 2009 - 10:22:19 CST)
- Dmitri Nilov (Thu Nov 05 2009 - 08:55:16 CST)
- Dmitri Nilov (Thu Nov 05 2009 - 08:38:32 CST)
- Jason Swails (Thu Nov 05 2009 - 08:12:39 CST)
- Dmitri Nilov (Thu Nov 05 2009 - 07:39:59 CST)
- Ross Walker (Tue Nov 03 2009 - 17:13:45 CST)
- Jason Swails (Tue Nov 03 2009 - 08:11:48 CST)
- Dmitri Nilov (Tue Nov 03 2009 - 08:06:11 CST)
- Dmitri Nilov (Tue Nov 03 2009 - 07:20:17 CST)
- Ross Walker (Mon Nov 02 2009 - 17:36:48 CST)
- Jason Swails (Mon Nov 02 2009 - 11:04:14 CST)
- Dmitri Nilov (Mon Nov 02 2009 - 07:11:15 CST)
- Jason Swails (Mon Nov 02 2009 - 06:15:19 CST)
- Dmitri Nilov (Mon Nov 02 2009 - 03:17:19 CST)
[AMBER] MSD of ligand??
- Chih-Ying Lin (Tue Nov 17 2009 - 13:07:12 CST)
[AMBER] NAD - mmpbsa
- Urszula Uciechowska (Sun Nov 22 2009 - 05:02:22 CST)
[AMBER] non standart residue library creation with tleap (Zn atom)
- FyD (Mon Nov 23 2009 - 13:50:42 CST)
- FyD (Mon Nov 23 2009 - 11:49:05 CST)
- Andrew Voronkov (Mon Nov 23 2009 - 11:38:28 CST)
- FyD (Mon Nov 23 2009 - 11:31:31 CST)
- FyD (Mon Nov 23 2009 - 11:22:23 CST)
- Andrew Voronkov (Mon Nov 23 2009 - 10:35:51 CST)
- FyD (Mon Nov 23 2009 - 10:06:01 CST)
- Andrew Voronkov (Mon Nov 23 2009 - 09:44:45 CST)
- FyD (Mon Nov 23 2009 - 07:25:15 CST)
- Andrew Voronkov (Mon Nov 23 2009 - 06:35:55 CST)
- FyD (Fri Nov 20 2009 - 11:47:00 CST)
- Andrew Voronkov (Fri Nov 20 2009 - 10:02:57 CST)
- FyD (Fri Nov 20 2009 - 09:40:50 CST)
- Andrew Voronkov (Fri Nov 20 2009 - 09:25:30 CST)
- Andrew Voronkov (Fri Nov 20 2009 - 09:07:26 CST)
- FyD (Fri Nov 20 2009 - 07:42:58 CST)
- case (Fri Nov 20 2009 - 07:30:54 CST)
- Andrew Voronkov (Fri Nov 20 2009 - 05:35:31 CST)
- FyD (Wed Nov 18 2009 - 08:29:14 CST)
- Andrew Voronkov (Wed Nov 18 2009 - 07:19:58 CST)
- FyD (Tue Nov 17 2009 - 14:10:03 CST)
- Jason Swails (Tue Nov 17 2009 - 12:05:05 CST)
- Andrew Voronkov (Tue Nov 17 2009 - 10:34:33 CST)
- intra\\sa175950 (Tue Nov 17 2009 - 10:18:38 CST)
- Jason Swails (Tue Nov 17 2009 - 09:57:41 CST)
- Andrew Voronkov (Tue Nov 17 2009 - 09:47:12 CST)
[AMBER] PCA analysis with ptraj
- Alessandro Contini (Tue Nov 10 2009 - 06:03:48 CST)
- hannes.loeffler_at_stfc.ac.uk (Tue Nov 10 2009 - 02:13:29 CST)
- Alessandro Contini (Mon Nov 09 2009 - 11:00:19 CST)
[AMBER] Phosphorylated Threonine
- FyD (Tue Nov 03 2009 - 13:41:49 CST)
- Beale, John (Tue Nov 03 2009 - 10:31:09 CST)
[AMBER] Phosphothreonine
- Anselm Horn (Thu Nov 05 2009 - 07:17:59 CST)
- Beale, John (Thu Nov 05 2009 - 07:03:58 CST)
[AMBER] pmemd failure
- Francesco Pietra (Sun Nov 08 2009 - 13:08:53 CST)
- Robert Duke (Sun Nov 08 2009 - 11:00:52 CST)
- Francesco Pietra (Sun Nov 08 2009 - 10:52:28 CST)
[AMBER] pmemd vs sander.MPI
- Marek Maly (Thu Nov 05 2009 - 17:58:50 CST)
- Ross Walker (Thu Nov 05 2009 - 16:58:37 CST)
- Marek Maly (Thu Nov 05 2009 - 12:47:06 CST)
- Marek Maly (Thu Nov 05 2009 - 12:34:31 CST)
- Ross Walker (Thu Nov 05 2009 - 12:27:19 CST)
- Robert Duke (Thu Nov 05 2009 - 12:06:24 CST)
- Marek Maly (Thu Nov 05 2009 - 12:03:08 CST)
- Robert Duke (Thu Nov 05 2009 - 07:35:41 CST)
- Marek Maly (Thu Nov 05 2009 - 07:36:39 CST)
- Ross Walker (Wed Nov 04 2009 - 12:33:23 CST)
- Taufik Al-Sarraj (Wed Nov 04 2009 - 11:32:05 CST)
[AMBER] Polarizable simulation of the slab
- Jan Heyda (Sun Nov 22 2009 - 07:13:16 CST)
[AMBER] ptraj script for H bond for protein (explicit )
- kureeckal ramesh (Sat Nov 07 2009 - 01:38:29 CST)
[AMBER] R.E.D. resp error
- FyD (Thu Nov 12 2009 - 23:36:44 CST)
- s. Bill (Thu Nov 12 2009 - 14:23:31 CST)
[AMBER] R.E.D. too small charges
- FyD (Fri Nov 13 2009 - 07:06:51 CST)
- Andrei Neamtu (Fri Nov 13 2009 - 02:57:04 CST)
[AMBER] read substrate into leap
- Bill Ross (Wed Nov 18 2009 - 19:59:33 CST)
- Jason Swails (Wed Nov 18 2009 - 19:35:37 CST)
- sculiujl (Wed Nov 18 2009 - 19:12:13 CST)
- Jason Swails (Wed Nov 18 2009 - 12:53:30 CST)
- sculiujl (Wed Nov 18 2009 - 07:37:19 CST)
[AMBER] rectangular box with PME problem
- Ivan Gladich (Mon Nov 09 2009 - 16:18:16 CST)
[AMBER] reg. GBA
- case (Thu Nov 12 2009 - 07:02:43 CST)
- balaji nagarajan (Thu Nov 12 2009 - 06:06:30 CST)
[AMBER] request
- sculiujl (Fri Nov 13 2009 - 20:59:22 CST)
[AMBER] RESP using antechamber with Se atom
- Eric Pettersen (Fri Nov 06 2009 - 10:49:16 CST)
- subarna thakur (Thu Nov 05 2009 - 23:21:46 CST)
- Junmei Wang (Thu Nov 05 2009 - 15:39:46 CST)
- Donald Keidel (Thu Nov 05 2009 - 13:21:37 CST)
[AMBER] retinal lib file, params?
- Simon Becker (Mon Nov 02 2009 - 02:34:14 CST)
- Mark M Huntress (Sun Nov 01 2009 - 11:59:34 CST)
[AMBER] rmsd
- Taufik Al-Sarraj (Mon Nov 23 2009 - 13:24:49 CST)
- Thomas Cheatham (Sat Nov 21 2009 - 15:44:41 CST)
- Taufik Al-Sarraj (Fri Nov 20 2009 - 10:32:24 CST)
[AMBER] sander.APBS install problem
- Robert Konecny (Mon Nov 02 2009 - 22:52:09 CST)
- Rilei Yu (Mon Nov 02 2009 - 19:58:30 CST)
[AMBER] sander.mpi. mdfil: Error unknown flag: sander
- case (Mon Nov 09 2009 - 07:17:23 CST)
- Andrew Voronkov (Mon Nov 09 2009 - 06:24:17 CST)
[AMBER] Segmentation Fault
- Ross Walker (Thu Nov 05 2009 - 12:29:20 CST)
- Beale, John (Thu Nov 05 2009 - 12:04:52 CST)
[AMBER] Segmentation fault in antechamber
- albert albert (Mon Nov 23 2009 - 09:23:00 CST)
- case (Tue Nov 17 2009 - 22:28:14 CST)
- albert albert (Tue Nov 17 2009 - 11:04:46 CST)
- Mark Williamson (Mon Nov 16 2009 - 11:48:32 CST)
- albert albert (Mon Nov 16 2009 - 10:23:02 CST)
- case (Mon Nov 16 2009 - 09:53:30 CST)
- albert albert (Mon Nov 16 2009 - 09:28:20 CST)
[AMBER] sleap fastbld error
- Oliver Kuhn (Sat Nov 07 2009 - 14:39:29 CST)
[AMBER] sleap fastbld error is not an error
- Oliver Kuhn (Sat Nov 07 2009 - 15:07:35 CST)
[AMBER] slope
- Carlos Simmerling (Tue Nov 17 2009 - 05:10:35 CST)
- Jio M (Mon Nov 16 2009 - 22:07:07 CST)
- Carlos Simmerling (Mon Nov 16 2009 - 05:11:46 CST)
- Jio M (Sun Nov 15 2009 - 22:42:52 CST)
- Jio M (Thu Nov 12 2009 - 13:28:02 CST)
[AMBER] slope {no reply}
- Sally Pias (Sun Nov 22 2009 - 00:53:39 CST)
- Jio M (Thu Nov 19 2009 - 11:15:25 CST)
- Sally Pias (Wed Nov 18 2009 - 23:39:53 CST)
- Jio M (Tue Nov 17 2009 - 23:09:34 CST)
- Bill Ross (Tue Nov 17 2009 - 19:04:48 CST)
- Carlos Simmerling (Tue Nov 17 2009 - 17:49:39 CST)
- Jio M (Tue Nov 17 2009 - 13:13:06 CST)
- Bill Ross (Tue Nov 17 2009 - 11:51:08 CST)
- Carlos Simmerling (Tue Nov 17 2009 - 05:11:23 CST)
- Jio M (Mon Nov 16 2009 - 23:13:44 CST)
- Bill Ross (Mon Nov 16 2009 - 11:48:22 CST)
- Carlos Simmerling (Sun Nov 15 2009 - 13:07:02 CST)
- Jio M (Sun Nov 15 2009 - 13:03:17 CST)
[AMBER] solvent
- Jio M (Sun Nov 08 2009 - 08:12:34 CST)
[AMBER] Some queries about pH simulation
- case (Tue Nov 03 2009 - 05:30:07 CST)
- nicholus bhattacharjee (Tue Nov 03 2009 - 01:34:02 CST)
[AMBER] standard way to upload a lipid bilayer
- David Watson (Sat Nov 21 2009 - 07:06:29 CST)
- Syed Kashif Zafar (Sat Nov 21 2009 - 05:40:08 CST)
[AMBER] Task is running on supercomputer without any output
- Andrew Voronkov (Thu Nov 12 2009 - 07:24:56 CST)
- michael bane (Mon Nov 09 2009 - 06:51:17 CST)
- Andrew Voronkov (Mon Nov 09 2009 - 06:39:36 CST)
[AMBER] The decreasing MSD of ligand??
- Chih-Ying Lin (Wed Nov 18 2009 - 15:19:35 CST)
[AMBER] the different RMSD?
- qiaoyan (Tue Nov 17 2009 - 20:47:42 CST)
- qiaoyan (Sat Nov 14 2009 - 20:02:53 CST)
- Thomas Cheatham (Sat Nov 14 2009 - 10:25:43 CST)
- qiaoyan (Fri Nov 13 2009 - 22:16:27 CST)
- Thomas Cheatham (Fri Nov 13 2009 - 21:40:56 CST)
- qiaoyan (Fri Nov 13 2009 - 21:37:36 CST)
[AMBER] The MSD and periodic boundary condition
- Jason Swails (Thu Nov 19 2009 - 18:00:30 CST)
- Chih-Ying Lin (Thu Nov 19 2009 - 17:30:46 CST)
[AMBER] the problem of nucgen.dat
- case (Sun Nov 08 2009 - 10:19:03 CST)
- liangchen88_at_ucla.edu (Sat Nov 07 2009 - 21:48:54 CST)
- case (Sat Nov 07 2009 - 08:51:57 CST)
- liangchen88_at_ucla.edu (Sat Nov 07 2009 - 08:41:49 CST)
[AMBER] three trials to create topologies with sleap and tleap
- Oliver Kuhn (Tue Nov 10 2009 - 03:34:36 CST)
[AMBER] tleap maximum coordination exceeded
- case (Tue Nov 17 2009 - 22:45:55 CST)
- Jack Shultz (Tue Nov 17 2009 - 21:05:41 CST)
- Jack Shultz (Tue Nov 17 2009 - 19:51:38 CST)
- case (Tue Nov 17 2009 - 14:24:09 CST)
- FyD (Tue Nov 17 2009 - 14:18:20 CST)
- Jack Shultz (Tue Nov 17 2009 - 10:52:20 CST)
[AMBER] total number of hydrogen bonds of the system as a function of time
- Jason Swails (Wed Nov 04 2009 - 08:08:21 CST)
- Markus Kaukonen (Wed Nov 04 2009 - 07:59:17 CST)
[AMBER] unable to find mopac charges in mopac.out
- Richard Tseng (Mon Nov 09 2009 - 13:25:11 CST)
- case (Mon Nov 09 2009 - 10:47:01 CST)
- Richard Tseng (Mon Nov 09 2009 - 10:39:51 CST)
- case (Sat Nov 07 2009 - 07:59:43 CST)
- Bill Ross (Fri Nov 06 2009 - 19:22:22 CST)
- Richard Tseng (Fri Nov 06 2009 - 19:14:20 CST)
[AMBER] varying positional restraints with PMEMD
- case (Sun Nov 08 2009 - 11:37:53 CST)
- Julian Garrec (Thu Nov 05 2009 - 18:43:35 CST)
[AMBER] which is the best intel complier for amber 10?
- jacky zhao (Tue Nov 17 2009 - 02:24:30 CST)
[AMBER] zeros in excluded atom list in topology file
- Bill Ross (Fri Nov 06 2009 - 18:09:39 CST)
- Peter Schmidtke (Fri Nov 06 2009 - 18:07:44 CST)
- case (Fri Nov 06 2009 - 16:44:04 CST)
- Peter Schmidtke (Fri Nov 06 2009 - 02:54:57 CST)
- Carlos Simmerling (Thu Nov 05 2009 - 18:39:56 CST)
- Peter Schmidtke (Thu Nov 05 2009 - 11:06:41 CST)
[AMBER]Amber10 + g95
- jacky zhao (Tue Nov 17 2009 - 02:26:56 CST)
- Abhishek Banerjee (Sat Nov 07 2009 - 21:41:54 CST)
- Sudeep Narayan Banerjee (Sat Nov 07 2009 - 20:56:39 CST)
Etot positive
- Jio M (Mon Nov 16 2009 - 22:59:26 CST)
question
- rrd (Thu Nov 05 2009 - 18:09:11 CST)
- Marek Maly (Thu Nov 05 2009 - 07:28:03 CST)
- steinbrt_at_rci.rutgers.edu (Thu Nov 05 2009 - 02:12:47 CST)
- rrd (Wed Nov 04 2009 - 20:52:04 CST)
- Marek Maly (Tue Nov 03 2009 - 14:22:16 CST)
- Ross Walker (Mon Nov 02 2009 - 17:36:48 CST)
RESP with -a and witout -a flag
- Jio M (Wed Nov 04 2009 - 00:47:55 CST)
- Junmei Wang (Mon Nov 02 2009 - 10:48:48 CST)
- Jio M (Sun Nov 01 2009 - 23:58:58 CST)
å›žå¤ï¼š [AMBER] the different RMSD?
- Rilei Yu (Tue Nov 17 2009 - 23:25:17 CST)

Last message date: Mon Nov 23 2009 - 13:51:08 CST
Archived on: Mon Nov 23 2009 - 13:51:12 CST

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