AMBER Archive (2005) - Oct 2005 By Subject

256 messages sorted by: [ author ] [ date ] [ thread ]
About this archive

Starting: Mon Oct 03 2005 - 06:58:01 CDT
Ending: Mon Oct 31 2005 - 20:53:51 CST

AMBER: (no subject)
- mathew k varghese (Thu Oct 20 2005 - 03:31:21 CDT)
- Yam (Thu Oct 20 2005 - 02:31:37 CDT)
- mathew k varghese (Thu Oct 20 2005 - 00:19:06 CDT)
AMBER: again: F, Cl, Br, I in MMPBSA
- Yong Xu (Fri Oct 14 2005 - 22:07:59 CDT)
AMBER: AMBER compilation - RH Enterprise 4, Xeon EM64T
- Sukjoon Yoon (Wed Oct 05 2005 - 00:55:07 CDT)
AMBER: AMBER compilation error
- Andreas Svrcek-Seiler (Fri Oct 07 2005 - 04:46:24 CDT)
- Sukjoon Yoon (Thu Oct 06 2005 - 21:32:36 CDT)
AMBER: amber file formats.
- David A. Case (Thu Oct 20 2005 - 16:32:29 CDT)
- Shishir (Thu Oct 20 2005 - 15:37:16 CDT)
- David A. Case (Thu Oct 20 2005 - 11:20:36 CDT)
- Shishir (Wed Oct 19 2005 - 15:16:04 CDT)
AMBER: AMBER goes in a Loop
- Robert Duke (Fri Oct 14 2005 - 12:58:50 CDT)
- Imran Khan (Fri Oct 14 2005 - 11:37:44 CDT)
- David A. Case (Fri Oct 14 2005 - 10:05:41 CDT)
- Imran Khan (Thu Oct 13 2005 - 12:05:40 CDT)
AMBER: AMBER tests (x86-64, PGI / Intel)
- Scott Brozell (Thu Oct 27 2005 - 19:42:37 CDT)
- Hannes Barsch (Wed Oct 26 2005 - 02:54:36 CDT)
AMBER: amber7.0: F,Br,radius in MMPBSA
- Yong Xu (Sat Oct 29 2005 - 09:47:21 CDT)
- Yong Xu (Sat Oct 29 2005 - 09:46:00 CDT)
AMBER: amber8 parallel sander
- Robert Duke (Tue Oct 04 2005 - 00:26:28 CDT)
- MURAT CETINKAYA (Mon Oct 03 2005 - 21:04:04 CDT)
- Kathleen Erickson (Mon Oct 03 2005 - 15:37:47 CDT)
AMBER: antechamber -- missing improper torsions
- David A. Case (Fri Oct 21 2005 - 12:57:31 CDT)
- David Mobley (Fri Oct 21 2005 - 12:21:01 CDT)
- Ross Walker (Tue Oct 18 2005 - 22:33:13 CDT)
- David Mobley (Tue Oct 18 2005 - 14:21:39 CDT)
- Ross Walker (Mon Oct 17 2005 - 17:04:23 CDT)
- David Mobley (Mon Oct 17 2005 - 13:33:43 CDT)
AMBER: antechamber dimesion size, again
- Toshifumi Yui (Thu Oct 06 2005 - 21:14:47 CDT)
- Junmei Wang (Thu Oct 06 2005 - 14:29:04 CDT)
- Toshifumi Yui (Thu Oct 06 2005 - 04:44:29 CDT)
AMBER: Antechamber error
- Nitin Bhardwaj (Tue Oct 25 2005 - 19:16:20 CDT)
- Nitin Bhardwaj (Tue Oct 25 2005 - 18:27:39 CDT)
AMBER: atmtypenumbers
- Yong Xu (Mon Oct 24 2005 - 22:25:00 CDT)
AMBER: Can I trust ANAL result?
- Madjid Taghdir (Tue Oct 04 2005 - 05:55:51 CDT)
AMBER: Cluster analysis by MMTSB or ptraj
- Shuting Wei (Fri Oct 28 2005 - 10:30:49 CDT)
AMBER: compiling amber with pgi 5.2.4
- Xuebin Qiao (Mon Oct 24 2005 - 10:20:08 CDT)
- Robert Duke (Mon Oct 24 2005 - 07:44:42 CDT)
- Hannes Barsch (Mon Oct 24 2005 - 07:21:11 CDT)
AMBER: Cu++ and RED
- FyD (Tue Oct 25 2005 - 00:58:56 CDT)
- Cenk Andac (Mon Oct 24 2005 - 11:43:36 CDT)
- Cenk Andac (Mon Oct 24 2005 - 11:12:30 CDT)
- FyD (Mon Oct 24 2005 - 03:44:31 CDT)
- Cenk Andac (Sat Oct 22 2005 - 13:02:00 CDT)
AMBER: cut-offs in non-periodic simulations
- Andreas Svrcek-Seiler (Mon Oct 03 2005 - 14:15:19 CDT)
- Fabien Cailliez (Mon Oct 03 2005 - 11:31:26 CDT)
AMBER: Cyclohexane solvent Box
- Brent Krueger (Mon Oct 17 2005 - 09:59:44 CDT)
- chai ann ng (Mon Oct 17 2005 - 09:27:13 CDT)
- Ross Walker (Mon Oct 17 2005 - 09:03:54 CDT)
- chaiann ng (Sun Oct 16 2005 - 23:43:21 CDT)
AMBER: delphi and surface in MMPBSA
- David A. Case (Sat Oct 22 2005 - 11:44:37 CDT)
- Yong Xu (Thu Oct 20 2005 - 20:09:07 CDT)
- David A. Case (Thu Oct 20 2005 - 11:06:15 CDT)
- Yong Xu (Thu Oct 20 2005 - 09:07:17 CDT)
AMBER: Dipolar coupling refinement
- David A. Case (Fri Oct 21 2005 - 20:03:43 CDT)
- s0344557_at_sms.ed.ac.uk (Fri Oct 21 2005 - 08:04:39 CDT)
AMBER: Energy output problem!
- Pradipta Bandyopadhyay (Tue Oct 04 2005 - 07:08:04 CDT)
AMBER: Error check COM velocity!!
- jpragati_at_ibab.ac.in (Mon Oct 03 2005 - 06:58:01 CDT)
AMBER: error in safe
- Xuebin Qiao (Mon Oct 24 2005 - 10:26:41 CDT)
- Ross Walker (Mon Oct 24 2005 - 09:25:38 CDT)
- Claire Zerafa (Mon Oct 24 2005 - 08:18:50 CDT)
AMBER: F,Cl,Br,I in MMPBSA
- David A. Case (Fri Oct 21 2005 - 10:31:06 CDT)
- Yong Xu (Thu Oct 20 2005 - 20:21:33 CDT)
- Yong Xu (Thu Oct 20 2005 - 20:12:15 CDT)
- David A. Case (Mon Oct 17 2005 - 10:10:17 CDT)
- Yong Xu (Wed Oct 12 2005 - 03:58:53 CDT)
AMBER: Free energy calculation for protein-protein complex usingMM_PBSA
- JunJun Liu (Sat Oct 22 2005 - 02:45:25 CDT)
AMBER: Free energy for L and D amino acids
- Carlos Simmerling (Sun Oct 16 2005 - 11:05:03 CDT)
- S.Sundar Raman (Sun Oct 16 2005 - 10:40:24 CDT)
AMBER: GBSA simulation problem
- Carlos Simmerling (Mon Oct 31 2005 - 06:25:22 CST)
- Guillaume Bollot (Mon Oct 31 2005 - 02:23:26 CST)
AMBER: GNU Autotool integration for Amber8!
- Xuebin Qiao (Thu Oct 20 2005 - 08:55:10 CDT)
- David A. Case (Wed Oct 19 2005 - 18:41:32 CDT)
- Xuebin Qiao (Wed Oct 19 2005 - 10:17:54 CDT)
- David A. Case (Tue Oct 18 2005 - 11:54:37 CDT)
- mk mk (Sun Oct 16 2005 - 02:06:11 CDT)
AMBER: Hi..I am new to AMBER.(compilation with MPICH-G2 libraries)...
- konnipati murali (Sun Oct 23 2005 - 01:38:28 CDT)
AMBER: how can I constitute T-phosphotyrosine group ?
- luaj_at_sohu.com (Wed Oct 12 2005 - 23:50:16 CDT)
- luaj_at_sohu.com (Tue Oct 11 2005 - 09:25:02 CDT)
AMBER: How to calculate binding free energy of ligand bound to complex with two active-site water molecules?
- haixiao jin (Tue Oct 25 2005 - 02:55:46 CDT)
AMBER: how to constitute T-phosphotyrosine group?
- luaj_at_sohu.com (Tue Oct 11 2005 - 07:28:38 CDT)
AMBER: How to get PDB structures optimized for RED-II
- FyD (Mon Oct 24 2005 - 03:27:07 CDT)
- Cenk Andac (Sat Oct 22 2005 - 12:38:58 CDT)
- Cenk Andac (Fri Oct 14 2005 - 12:14:02 CDT)
- Cenk Andac (Sat Oct 08 2005 - 08:34:42 CDT)
AMBER: How to simulate a crystal structure?
- Joseph Nachman (Wed Oct 12 2005 - 11:57:56 CDT)
- David A. Case (Wed Oct 12 2005 - 10:17:35 CDT)
- Chunhu Tan (Tue Oct 11 2005 - 18:22:39 CDT)
AMBER: I am looking forward to hearing from you.
- Majid moghaddam (Wed Oct 26 2005 - 05:18:58 CDT)
- Mehdi Davari (Tue Oct 25 2005 - 13:38:28 CDT)
AMBER: Improper Torsional Parameters
- Ilyas Yildirim (Fri Oct 28 2005 - 19:59:35 CDT)
AMBER: Increase the runtime of Amber benchmarks
- Carlos Simmerling (Wed Oct 26 2005 - 06:30:37 CDT)
- Imran Khan (Wed Oct 26 2005 - 04:23:10 CDT)
AMBER: Installation error - icc: command not found
- Mingfeng Yang (Wed Oct 05 2005 - 09:14:16 CDT)
- Andreas Svrcek-Seiler (Wed Oct 05 2005 - 04:47:31 CDT)
- Sukjoon Yoon (Tue Oct 04 2005 - 20:13:11 CDT)
AMBER: Is AMBER package suitable for simulating multiple molecule in solvent?
- wulei (Wed Oct 05 2005 - 04:26:00 CDT)
AMBER: Is MM-PBSA doable for transition metals ?
- Bill Ross (Mon Oct 24 2005 - 12:10:44 CDT)
- Cenk Andac (Mon Oct 24 2005 - 11:55:27 CDT)
AMBER: Manganese ion parameter
- nadtanet (Tue Oct 04 2005 - 06:55:59 CDT)
AMBER: maxgrp error
- Javier Pérez Mirón (Tue Oct 11 2005 - 14:55:46 CDT)
AMBER: Metals with Amber
- Bill Ross (Fri Oct 28 2005 - 15:56:50 CDT)
- Anton B. Guliaev (Fri Oct 28 2005 - 12:09:07 CDT)
AMBER: Minimization in sander and nmode
- David A. Case (Thu Oct 06 2005 - 05:06:33 CDT)
AMBER: mm_pbsa problem
- emilia wu (Mon Oct 31 2005 - 20:53:51 CST)
AMBER: Neutral C-terminal residue
- FyD (Wed Oct 19 2005 - 07:17:12 CDT)
- Carlos Simmerling (Wed Oct 19 2005 - 06:40:10 CDT)
- Sébastien Fiorucci (Wed Oct 19 2005 - 05:12:44 CDT)
AMBER: oxidised methionine residue
- Megan G (Fri Oct 14 2005 - 10:45:21 CDT)
AMBER: Parameters and topology for Diacylglycerol (DAG)
- Nitin Bhardwaj (Mon Oct 10 2005 - 13:02:14 CDT)
AMBER: parameters for pyridoxal phosphate
- Anna Feldman-Salit (Fri Oct 07 2005 - 08:46:29 CDT)
AMBER: parmchk error : Cannot open CONNECT.TPL, exit
- Nitin Bhardwaj (Tue Oct 25 2005 - 16:52:32 CDT)
- David A. Case (Tue Oct 25 2005 - 16:16:35 CDT)
- Nitin Bhardwaj (Tue Oct 25 2005 - 16:08:02 CDT)
AMBER: PCA
- David A. Case (Tue Oct 11 2005 - 09:32:36 CDT)
- Claire Zerafa (Tue Oct 11 2005 - 08:33:49 CDT)
AMBER: pca with ptraj
- Claire Zerafa (Mon Oct 17 2005 - 18:11:21 CDT)
AMBER: porblem in ptraj
- julien (Thu Oct 20 2005 - 04:19:47 CDT)
AMBER: Problem during production!!
- jpragati_at_ibab.ac.in (Tue Oct 04 2005 - 03:33:48 CDT)
AMBER: problem with temperature weights
- Carlos Simmerling (Sat Oct 08 2005 - 06:03:41 CDT)
- Manish Datt (Fri Oct 07 2005 - 23:50:07 CDT)
- Carlos Simmerling (Fri Oct 07 2005 - 11:55:12 CDT)
- Manish Datt (Fri Oct 07 2005 - 10:43:52 CDT)
AMBER: Problem with the QMMM example in AMBER 2004 tutorial
- Ross Walker (Sun Oct 23 2005 - 12:02:55 CDT)
- Cenk Andac (Sun Oct 23 2005 - 11:31:45 CDT)
AMBER: problem with xleap
- Heike.Meiselbach_at_chemie.uni-erlangen.de (Tue Oct 18 2005 - 09:07:02 CDT)
- Mark Williamson (Tue Oct 18 2005 - 09:04:43 CDT)
- Vlad Cojocaru (Tue Oct 18 2005 - 08:56:38 CDT)
AMBER: problems installing amber 7 on a RH Linux 8 machine
- Andreas Svrcek-Seiler (Fri Oct 28 2005 - 02:44:20 CDT)
- David A. Case (Thu Oct 27 2005 - 14:33:33 CDT)
- Marios Constantinou (Thu Oct 27 2005 - 10:28:00 CDT)
AMBER: program to visualize crystal symmetries
- Joseph Nachman (Tue Oct 18 2005 - 11:21:22 CDT)
- Karsten Suhre (Tue Oct 18 2005 - 04:13:23 CDT)
- Hannes Loeffler (Tue Oct 18 2005 - 03:36:31 CDT)
AMBER: ptraj hbond analysis
- Thomas Cheatham (Thu Oct 20 2005 - 21:03:36 CDT)
- haixiao jin (Thu Oct 20 2005 - 06:07:30 CDT)
- S.Sundar Raman (Wed Oct 19 2005 - 08:28:09 CDT)
AMBER: QMMM for copper complexes!
- Cenk Andac (Mon Oct 24 2005 - 12:12:22 CDT)
AMBER: QMMM question
- xiaoqin huang (Mon Oct 10 2005 - 13:59:55 CDT)
- Ross Walker (Mon Oct 10 2005 - 09:38:50 CDT)
- Guanglei Cui (Mon Oct 10 2005 - 09:14:20 CDT)
- xiaoqin huang (Thu Oct 06 2005 - 23:09:53 CDT)
AMBER: question about grid in ptraj
- Angelo Pugliese (Fri Oct 07 2005 - 04:23:17 CDT)
- Linchen Gong (Thu Oct 06 2005 - 08:03:00 CDT)
AMBER: Question about NVE simulation.
- Carlos Simmerling (Tue Oct 18 2005 - 15:23:02 CDT)
- Chunhu Tan (Tue Oct 18 2005 - 14:39:43 CDT)
- Carlos Simmerling (Tue Oct 18 2005 - 07:02:39 CDT)
- tanc_at_uci.edu (Tue Oct 18 2005 - 00:45:51 CDT)
AMBER: question temperature coupling tautp value for RNA
- Carlos Simmerling (Tue Oct 04 2005 - 07:42:07 CDT)
- Ross Walker (Mon Oct 03 2005 - 17:50:47 CDT)
- Zhuang (Mon Oct 03 2005 - 17:40:09 CDT)
- Zhuang (Mon Oct 03 2005 - 17:40:23 CDT)
AMBER: R factors in NMR intensity refinement
- YoungJin Cho (Thu Oct 06 2005 - 11:56:02 CDT)
- Yuqin Cai (Thu Oct 06 2005 - 11:29:31 CDT)
AMBER: rdparm: a parameter array overflowed
- ying xiong (Tue Oct 25 2005 - 01:03:27 CDT)
- David A. Case (Mon Oct 24 2005 - 11:00:50 CDT)
- ying xiong (Mon Oct 24 2005 - 04:17:33 CDT)
AMBER: REMD error!!!
- Carlos Simmerling (Fri Oct 28 2005 - 09:38:48 CDT)
- Melinda Layten (Fri Oct 28 2005 - 10:26:46 CDT)
- Anthony Cruz (Fri Oct 28 2005 - 08:06:39 CDT)
- Carlos Simmerling (Thu Oct 20 2005 - 12:30:13 CDT)
- Anthony Cruz (Thu Oct 20 2005 - 14:13:20 CDT)
- Carlos Simmerling (Thu Oct 20 2005 - 11:28:15 CDT)
- Carlos Simmerling (Thu Oct 20 2005 - 11:14:25 CDT)
- Wei Zhang (Thu Oct 20 2005 - 11:15:51 CDT)
- Guanglei Cui (Thu Oct 20 2005 - 10:51:21 CDT)
- Carlos Simmerling (Thu Oct 20 2005 - 10:00:22 CDT)
- Anthony Cruz (Thu Oct 20 2005 - 11:48:12 CDT)
- Carlos Simmerling (Thu Oct 20 2005 - 08:35:13 CDT)
- Anthony Cruz (Thu Oct 20 2005 - 09:45:32 CDT)
- Carlos Simmerling (Thu Oct 20 2005 - 07:05:41 CDT)
- Anthony Cruz (Thu Oct 20 2005 - 08:53:18 CDT)
AMBER: REMD trajectory error!!!
- Carlos Simmerling (Fri Oct 28 2005 - 12:06:44 CDT)
- Anthony Cruz (Fri Oct 28 2005 - 13:10:18 CDT)
AMBER: restart file and crd file
- Lishan Yao (Thu Oct 27 2005 - 13:59:29 CDT)
- Carlos Simmerling (Thu Oct 27 2005 - 15:03:20 CDT)
- Mingfeng Yang (Thu Oct 27 2005 - 14:40:51 CDT)
- Lishan Yao (Thu Oct 27 2005 - 12:54:26 CDT)
- Carlos Simmerling (Thu Oct 27 2005 - 14:03:13 CDT)
- Lishan Yao (Thu Oct 27 2005 - 12:03:58 CDT)
- Melinda Layten (Thu Oct 27 2005 - 13:35:54 CDT)
- Lishan Yao (Thu Oct 27 2005 - 10:50:15 CDT)
- Lishan Yao (Thu Oct 27 2005 - 10:33:20 CDT)
- Carlos Simmerling (Thu Oct 27 2005 - 11:18:18 CDT)
- Mingfeng Yang (Thu Oct 27 2005 - 11:11:16 CDT)
- Lishan Yao (Thu Oct 27 2005 - 08:37:29 CDT)
AMBER: rounding in xleap when using saveoff command...
- Ilyas Yildirim (Fri Oct 28 2005 - 20:26:22 CDT)
AMBER: sander error
- Robert Duke (Tue Oct 18 2005 - 10:18:05 CDT)
- David A. Case (Tue Oct 18 2005 - 09:59:39 CDT)
- Robert Duke (Tue Oct 18 2005 - 09:49:05 CDT)
- Ross Walker (Tue Oct 18 2005 - 09:23:18 CDT)
- Yam (Mon Oct 17 2005 - 21:10:50 CDT)
- David A. Case (Tue Oct 11 2005 - 09:27:20 CDT)
- Yam (Tue Oct 11 2005 - 04:21:08 CDT)
- Ross Walker (Mon Oct 10 2005 - 09:13:35 CDT)
- Guanglei Cui (Mon Oct 10 2005 - 08:52:29 CDT)
- Yam (Sun Oct 09 2005 - 21:04:20 CDT)
AMBER: Scaling factor of NMR restraint
- FyD (Sat Oct 15 2005 - 01:34:58 CDT)
- David A. Case (Fri Oct 14 2005 - 10:00:01 CDT)
- Ross Walker (Fri Oct 14 2005 - 09:55:44 CDT)
- FyD (Fri Oct 14 2005 - 09:28:24 CDT)
AMBER: seg fault error in resp
- Bill Ross (Thu Oct 27 2005 - 13:40:47 CDT)
- FyD (Thu Oct 27 2005 - 09:39:44 CDT)
- Kateryna Miroshnychenko (Thu Oct 27 2005 - 09:14:24 CDT)
- Bill Ross (Wed Oct 26 2005 - 11:35:38 CDT)
- FyD (Wed Oct 26 2005 - 11:13:05 CDT)
- Kateryna Miroshnychenko (Wed Oct 26 2005 - 10:26:37 CDT)
- FyD (Wed Oct 26 2005 - 09:06:40 CDT)
- Kateryna Miroshnychenko (Wed Oct 26 2005 - 08:24:37 CDT)
AMBER: Simple 3D Molecule Visualization
- Mingfeng Yang (Wed Oct 19 2005 - 13:19:01 CDT)
- Mingfeng Yang (Wed Oct 19 2005 - 13:19:18 CDT)
- Furse, Kristina Elisabet (Tue Oct 18 2005 - 17:10:54 CDT)
- FyD (Tue Oct 18 2005 - 14:16:19 CDT)
- Mark Williamson (Tue Oct 18 2005 - 11:50:07 CDT)
- Karsten Suhre (Tue Oct 18 2005 - 11:45:36 CDT)
- Joachim Reichelt (Tue Oct 18 2005 - 11:45:42 CDT)
- Alec M. Resnick (Tue Oct 18 2005 - 11:29:43 CDT)
AMBER: Simulating transition metals in amber
- FyD (Mon Oct 24 2005 - 03:21:52 CDT)
- Thomas Steinbrecher (Thu Oct 20 2005 - 04:32:58 CDT)
AMBER: some questions when using ATP
- du yongchun (Wed Oct 26 2005 - 21:28:44 CDT)
AMBER: Targeted MD
- Carlos Simmerling (Thu Oct 20 2005 - 13:31:21 CDT)
- Whitney Allen (Thu Oct 20 2005 - 13:04:31 CDT)
AMBER: The default of HIS in leaprc : HID or HIE ?
- Jiten (Tue Oct 04 2005 - 11:21:52 CDT)
AMBER: tkbc2
- Mingfeng Yang (Mon Oct 31 2005 - 16:59:17 CST)
AMBER: trouble in calculating the distance between O atom of water molecule and atom of residue
- haixiao jin (Thu Oct 20 2005 - 21:03:43 CDT)
- Thomas Cheatham (Thu Oct 20 2005 - 20:50:43 CDT)
- haixiao jin (Thu Oct 20 2005 - 05:49:29 CDT)
AMBER: troubleshooting replica exchange
- Peter Varnai (Thu Oct 13 2005 - 02:44:59 CDT)
- Sergio E. Wong (Wed Oct 12 2005 - 19:48:45 CDT)
- Zhuang (Wed Oct 12 2005 - 18:46:08 CDT)
AMBER: Unknown atomtypes in amber
- Nitin Bhardwaj (Sat Oct 29 2005 - 14:24:04 CDT)
- David A. Case (Sat Oct 29 2005 - 12:06:20 CDT)
- Nitin Bhardwaj (Thu Oct 27 2005 - 12:26:49 CDT)
AMBER: using constraints with QM/MM
- Jakub Kostal (Wed Oct 26 2005 - 13:58:40 CDT)
AMBER: using position restraints in target MD?
- Viktor Hornak (Fri Oct 21 2005 - 15:14:42 CDT)
- Ben-Zhuo Lu (Fri Oct 21 2005 - 13:58:05 CDT)
AMBER: Using RED to calculate partial charges of new amino acid
- FyD (Wed Oct 26 2005 - 05:36:21 CDT)
- Donald Thomas (Tue Oct 25 2005 - 09:50:40 CDT)
AMBER: vdw of h atoms
- Bill Ross (Fri Oct 28 2005 - 19:21:56 CDT)
- Rhoad, Jonathan S. (Fri Oct 28 2005 - 18:56:24 CDT)
- Bill Ross (Fri Oct 28 2005 - 17:13:59 CDT)
- Jiri Sponer (Fri Oct 28 2005 - 15:00:19 CDT)
- Gustavo Pierdominici Sottile (Fri Oct 28 2005 - 14:16:10 CDT)
AMBER: warning in leap
- David A. Case (Tue Oct 11 2005 - 17:17:20 CDT)
- Marcela Madrid (Tue Oct 11 2005 - 16:26:42 CDT)
AMBER: with two water molecules in active site, how to calculate the free energy of ligand bound to complex?
- haixiao jin (Mon Oct 31 2005 - 00:27:08 CST)
AMBER: xleap with modified residue
- David A. Case (Mon Oct 24 2005 - 12:36:40 CDT)
- Whitney Allen (Mon Oct 24 2005 - 11:24:25 CDT)
- Ross Walker (Thu Oct 20 2005 - 13:58:53 CDT)
- Kenley Barrett (Thu Oct 20 2005 - 13:25:41 CDT)
- Whitney Allen (Thu Oct 20 2005 - 13:12:42 CDT)
AMBER: xleap, opteron, pgi and segmentation fault.
- Lars Packschies (Wed Oct 26 2005 - 08:57:40 CDT)
AW: AMBER: compiling amber with pgi 5.2.4
- Hannes Barsch (Tue Oct 25 2005 - 10:42:53 CDT)
pca with ptraj
- Claire Zerafa (Wed Oct 19 2005 - 07:02:08 CDT)
restraints
- xiaoqin huang (Wed Oct 26 2005 - 16:25:03 CDT)
The default of HIS in leaprc : HID or HIE ?
- Jiten (Tue Oct 04 2005 - 11:34:54 CDT)

Last message date: Sat Dec 31 2005 - 12:51:27 CST
Archived on: Sat Dec 31 2005 - 12:51:46 CST

256 messages sorted by: [ author ] [ date ] [ thread ]
About this archive