AMBER Archive (2005) - Oct 2005 By DateMost recent messages
256 messages sorted by:
[ author ]
[ thread ]
[ subject ]
About this archive
Starting: Mon Oct 03 2005 - 06:58:01 CDT
Ending: Mon Oct 31 2005 - 20:53:51 CST
- AMBER: Error check COM velocity!! jpragati_at_ibab.ac.in (Mon Oct 03 2005 - 06:58:01 CDT)
- AMBER: cut-offs in non-periodic simulations Fabien Cailliez (Mon Oct 03 2005 - 11:31:26 CDT)
- Re: AMBER: cut-offs in non-periodic simulations Andreas Svrcek-Seiler (Mon Oct 03 2005 - 14:15:19 CDT)
- Re: AMBER: amber8 parallel sander Kathleen Erickson (Mon Oct 03 2005 - 15:37:47 CDT)
- AMBER: question temperature coupling tautp value for RNA Zhuang (Mon Oct 03 2005 - 17:40:23 CDT)
- AMBER: question temperature coupling tautp value for RNA Zhuang (Mon Oct 03 2005 - 17:40:09 CDT)
- RE: AMBER: question temperature coupling tautp value for RNA Ross Walker (Mon Oct 03 2005 - 17:50:47 CDT)
- Re: AMBER: amber8 parallel sander MURAT CETINKAYA (Mon Oct 03 2005 - 21:04:04 CDT)
- Re: AMBER: amber8 parallel sander Robert Duke (Tue Oct 04 2005 - 00:26:28 CDT)
- AMBER: Problem during production!! jpragati_at_ibab.ac.in (Tue Oct 04 2005 - 03:33:48 CDT)
- AMBER: Can I trust ANAL result? Madjid Taghdir (Tue Oct 04 2005 - 05:55:51 CDT)
- AMBER: Manganese ion parameter nadtanet (Tue Oct 04 2005 - 06:55:59 CDT)
- AMBER: Energy output problem! Pradipta Bandyopadhyay (Tue Oct 04 2005 - 07:08:04 CDT)
- Re: AMBER: question temperature coupling tautp value for RNA Carlos Simmerling (Tue Oct 04 2005 - 07:42:07 CDT)
- AMBER: The default of HIS in leaprc : HID or HIE ? Jiten (Tue Oct 04 2005 - 11:21:52 CDT)
- AMBER: Fw: The default of HIS in leaprc : HID or HIE ? Jiten (Tue Oct 04 2005 - 11:34:54 CDT)
- AMBER: Installation error - icc: command not found Sukjoon Yoon (Tue Oct 04 2005 - 20:13:11 CDT)
- AMBER: AMBER compilation - RH Enterprise 4, Xeon EM64T Sukjoon Yoon (Wed Oct 05 2005 - 00:55:07 CDT)
- AMBER: Is AMBER package suitable for simulating multiple molecule in solvent? wulei (Wed Oct 05 2005 - 04:26:00 CDT)
- Re: AMBER: Installation error - icc: command not found Andreas Svrcek-Seiler (Wed Oct 05 2005 - 04:47:31 CDT)
- Re: AMBER: Installation error - icc: command not found Mingfeng Yang (Wed Oct 05 2005 - 09:14:16 CDT)
- AMBER: antechamber dimesion size, again Toshifumi Yui (Thu Oct 06 2005 - 04:44:29 CDT)
- Re: AMBER: Minimization in sander and nmode David A. Case (Thu Oct 06 2005 - 05:06:33 CDT)
- AMBER: question about grid in ptraj Linchen Gong (Thu Oct 06 2005 - 08:03:00 CDT)
- AMBER: R factors in NMR intensity refinement Yuqin Cai (Thu Oct 06 2005 - 11:29:31 CDT)
- Re: AMBER: R factors in NMR intensity refinement YoungJin Cho (Thu Oct 06 2005 - 11:56:02 CDT)
- RE: AMBER: antechamber dimesion size, again Junmei Wang (Thu Oct 06 2005 - 14:29:04 CDT)
- Re: AMBER: antechamber dimesion size, again Toshifumi Yui (Thu Oct 06 2005 - 21:14:47 CDT)
- AMBER: AMBER compilation error Sukjoon Yoon (Thu Oct 06 2005 - 21:32:36 CDT)
- AMBER: QMMM question xiaoqin huang (Thu Oct 06 2005 - 23:09:53 CDT)
- Re: AMBER: question about grid in ptraj Angelo Pugliese (Fri Oct 07 2005 - 04:23:17 CDT)
- Re: AMBER: AMBER compilation error Andreas Svrcek-Seiler (Fri Oct 07 2005 - 04:46:24 CDT)
- AMBER: parameters for pyridoxal phosphate Anna Feldman-Salit (Fri Oct 07 2005 - 08:46:29 CDT)
- AMBER: problem with temperature weights Manish Datt (Fri Oct 07 2005 - 10:43:52 CDT)
- Re: AMBER: problem with temperature weights Carlos Simmerling (Fri Oct 07 2005 - 11:55:12 CDT)
- Re: AMBER: problem with temperature weights Manish Datt (Fri Oct 07 2005 - 23:50:07 CDT)
- Re: AMBER: problem with temperature weights Carlos Simmerling (Sat Oct 08 2005 - 06:03:41 CDT)
- Re: AMBER: How to get PDB structures optimized for RED-II Cenk Andac (Sat Oct 08 2005 - 08:34:42 CDT)
- AMBER: sander error Yam (Sun Oct 09 2005 - 21:04:20 CDT)
- Re: AMBER: sander error Guanglei Cui (Mon Oct 10 2005 - 08:52:29 CDT)
- Re: AMBER: QMMM question Guanglei Cui (Mon Oct 10 2005 - 09:14:20 CDT)
- RE: AMBER: sander error Ross Walker (Mon Oct 10 2005 - 09:13:35 CDT)
- RE: AMBER: QMMM question Ross Walker (Mon Oct 10 2005 - 09:38:50 CDT)
- AMBER: Parameters and topology for Diacylglycerol (DAG) Nitin Bhardwaj (Mon Oct 10 2005 - 13:02:14 CDT)
- Re: AMBER: QMMM question xiaoqin huang (Mon Oct 10 2005 - 13:59:55 CDT)
- RE: AMBER: sander error Yam (Tue Oct 11 2005 - 04:21:08 CDT)
- AMBER: how to constitute T-phosphotyrosine group? luaj_at_sohu.com (Tue Oct 11 2005 - 07:28:38 CDT)
- AMBER: PCA Claire Zerafa (Tue Oct 11 2005 - 08:33:49 CDT)
- AMBER: how can I constitute T-phosphotyrosine group ? luaj_at_sohu.com (Tue Oct 11 2005 - 09:25:02 CDT)
- Re: AMBER: sander error David A. Case (Tue Oct 11 2005 - 09:27:20 CDT)
- Re: AMBER: PCA David A. Case (Tue Oct 11 2005 - 09:32:36 CDT)
- AMBER: maxgrp error Javier Pérez Mirón (Tue Oct 11 2005 - 14:55:46 CDT)
- AMBER: warning in leap Marcela Madrid (Tue Oct 11 2005 - 16:26:42 CDT)
- Re: AMBER: warning in leap David A. Case (Tue Oct 11 2005 - 17:17:20 CDT)
- AMBER: How to simulate a crystal structure? Chunhu Tan (Tue Oct 11 2005 - 18:22:39 CDT)
- AMBER: F,Cl,Br,I in MMPBSA Yong Xu (Wed Oct 12 2005 - 03:58:53 CDT)
- Re: AMBER: How to simulate a crystal structure? David A. Case (Wed Oct 12 2005 - 10:17:35 CDT)
- Re: AMBER: How to simulate a crystal structure? Joseph Nachman (Wed Oct 12 2005 - 11:57:56 CDT)
- AMBER: troubleshooting replica exchange Zhuang (Wed Oct 12 2005 - 18:46:08 CDT)
- Re: AMBER: troubleshooting replica exchange Sergio E. Wong (Wed Oct 12 2005 - 19:48:45 CDT)
- AMBER: how can I constitute T-phosphotyrosine group ? luaj_at_sohu.com (Wed Oct 12 2005 - 23:50:16 CDT)
- Re: AMBER: troubleshooting replica exchange Peter Varnai (Thu Oct 13 2005 - 02:44:59 CDT)
- AMBER: AMBER goes in a Loop Imran Khan (Thu Oct 13 2005 - 12:05:40 CDT)
- AMBER: Scaling factor of NMR restraint FyD (Fri Oct 14 2005 - 09:28:24 CDT)
- RE: AMBER: Scaling factor of NMR restraint Ross Walker (Fri Oct 14 2005 - 09:55:44 CDT)
- Re: AMBER: Scaling factor of NMR restraint David A. Case (Fri Oct 14 2005 - 10:00:01 CDT)
- Re: AMBER: AMBER goes in a Loop David A. Case (Fri Oct 14 2005 - 10:05:41 CDT)
- AMBER: oxidised methionine residue Megan G (Fri Oct 14 2005 - 10:45:21 CDT)
- Re: AMBER: AMBER goes in a Loop Imran Khan (Fri Oct 14 2005 - 11:37:44 CDT)
- Re: AMBER: How to get PDB structures optimized for RED-II Cenk Andac (Fri Oct 14 2005 - 12:14:02 CDT)
- Re: AMBER: AMBER goes in a Loop Robert Duke (Fri Oct 14 2005 - 12:58:50 CDT)
- AMBER: again: F, Cl, Br, I in MMPBSA Yong Xu (Fri Oct 14 2005 - 22:07:59 CDT)
- RE: AMBER: Scaling factor of NMR restraint FyD (Sat Oct 15 2005 - 01:34:58 CDT)
- AMBER: GNU Autotool integration for Amber8! mk mk (Sun Oct 16 2005 - 02:06:11 CDT)
- AMBER: Free energy for L and D amino acids S.Sundar Raman (Sun Oct 16 2005 - 10:40:24 CDT)
- Re: AMBER: Free energy for L and D amino acids Carlos Simmerling (Sun Oct 16 2005 - 11:05:03 CDT)
- AMBER: Cyclohexane solvent Box chaiann ng (Sun Oct 16 2005 - 23:43:21 CDT)
- RE: AMBER: Cyclohexane solvent Box Ross Walker (Mon Oct 17 2005 - 09:03:54 CDT)
- Re: AMBER: Cyclohexane solvent Box chai ann ng (Mon Oct 17 2005 - 09:27:13 CDT)
- Re: AMBER: F,Cl,Br,I in MMPBSA David A. Case (Mon Oct 17 2005 - 10:10:17 CDT)
- Re: AMBER: Cyclohexane solvent Box Brent Krueger (Mon Oct 17 2005 - 09:59:44 CDT)
- AMBER: antechamber -- missing improper torsions David Mobley (Mon Oct 17 2005 - 13:33:43 CDT)
- RE: AMBER: antechamber -- missing improper torsions Ross Walker (Mon Oct 17 2005 - 17:04:23 CDT)
- AMBER: pca with ptraj Claire Zerafa (Mon Oct 17 2005 - 18:11:21 CDT)
- AMBER: sander error Yam (Mon Oct 17 2005 - 21:10:50 CDT)
- AMBER: Question about NVE simulation. tanc_at_uci.edu (Tue Oct 18 2005 - 00:45:51 CDT)
- AMBER: program to visualize crystal symmetries Hannes Loeffler (Tue Oct 18 2005 - 03:36:31 CDT)
- Re: AMBER: program to visualize crystal symmetries Karsten Suhre (Tue Oct 18 2005 - 04:13:23 CDT)
- Re: AMBER: Question about NVE simulation. Carlos Simmerling (Tue Oct 18 2005 - 07:02:39 CDT)
- AMBER: problem with xleap Vlad Cojocaru (Tue Oct 18 2005 - 08:56:38 CDT)
- Re: AMBER: problem with xleap Mark Williamson (Tue Oct 18 2005 - 09:04:43 CDT)
- Re: AMBER: problem with xleap Heike.Meiselbach_at_chemie.uni-erlangen.de (Tue Oct 18 2005 - 09:07:02 CDT)
- RE: AMBER: sander error Ross Walker (Tue Oct 18 2005 - 09:23:18 CDT)
- Re: AMBER: sander error Robert Duke (Tue Oct 18 2005 - 09:49:05 CDT)
- Re: AMBER: sander error David A. Case (Tue Oct 18 2005 - 09:59:39 CDT)
- Re: AMBER: sander error Robert Duke (Tue Oct 18 2005 - 10:18:05 CDT)
- Re: AMBER: program to visualize crystal symmetries Joseph Nachman (Tue Oct 18 2005 - 11:21:22 CDT)
- AMBER: Simple 3D Molecule Visualization Alec M. Resnick (Tue Oct 18 2005 - 11:29:43 CDT)
- Re: AMBER: Simple 3D Molecule Visualization Joachim Reichelt (Tue Oct 18 2005 - 11:45:42 CDT)
- Re: AMBER: Simple 3D Molecule Visualization Karsten Suhre (Tue Oct 18 2005 - 11:45:36 CDT)
- Re: AMBER: Simple 3D Molecule Visualization Mark Williamson (Tue Oct 18 2005 - 11:50:07 CDT)
- Re: AMBER: GNU Autotool integration for Amber8! David A. Case (Tue Oct 18 2005 - 11:54:37 CDT)
- Re: AMBER: Simple 3D Molecule Visualization FyD (Tue Oct 18 2005 - 14:16:19 CDT)
- Re: AMBER: antechamber -- missing improper torsions David Mobley (Tue Oct 18 2005 - 14:21:39 CDT)
- Re: AMBER: Question about NVE simulation. Chunhu Tan (Tue Oct 18 2005 - 14:39:43 CDT)
- Re: AMBER: Question about NVE simulation. Carlos Simmerling (Tue Oct 18 2005 - 15:23:02 CDT)
- Re: AMBER: Simple 3D Molecule Visualization Furse, Kristina Elisabet (Tue Oct 18 2005 - 17:10:54 CDT)
- RE: AMBER: antechamber -- missing improper torsions Ross Walker (Tue Oct 18 2005 - 22:33:13 CDT)
- AMBER: Neutral C-terminal residue Sébastien Fiorucci (Wed Oct 19 2005 - 05:12:44 CDT)
- Re: AMBER: Neutral C-terminal residue Carlos Simmerling (Wed Oct 19 2005 - 06:40:10 CDT)
- AMBER: Fw: pca with ptraj Claire Zerafa (Wed Oct 19 2005 - 07:02:08 CDT)
- Re: AMBER: Neutral C-terminal residue FyD (Wed Oct 19 2005 - 07:17:12 CDT)
- AMBER: ptraj hbond analysis S.Sundar Raman (Wed Oct 19 2005 - 08:28:09 CDT)
- Re: AMBER: GNU Autotool integration for Amber8! Xuebin Qiao (Wed Oct 19 2005 - 10:17:54 CDT)
- Re: AMBER: Simple 3D Molecule Visualization Mingfeng Yang (Wed Oct 19 2005 - 13:19:18 CDT)
- Re: AMBER: Simple 3D Molecule Visualization Mingfeng Yang (Wed Oct 19 2005 - 13:19:01 CDT)
- AMBER: amber file formats. Shishir (Wed Oct 19 2005 - 15:16:04 CDT)
- Re: AMBER: GNU Autotool integration for Amber8! David A. Case (Wed Oct 19 2005 - 18:41:32 CDT)
- AMBER: (no subject) mathew k varghese (Thu Oct 20 2005 - 00:19:06 CDT)
- Re: AMBER: (no subject) Yam (Thu Oct 20 2005 - 02:31:37 CDT)
- Re: AMBER: (no subject) mathew k varghese (Thu Oct 20 2005 - 03:31:21 CDT)
- AMBER: porblem in ptraj julien (Thu Oct 20 2005 - 04:19:47 CDT)
- AMBER: Simulating transition metals in amber Thomas Steinbrecher (Thu Oct 20 2005 - 04:32:58 CDT)
- AMBER: trouble in calculating the distance between O atom of water molecule and atom of residue haixiao jin (Thu Oct 20 2005 - 05:49:29 CDT)
- Re: AMBER: ptraj hbond analysis haixiao jin (Thu Oct 20 2005 - 06:07:30 CDT)
- AMBER: REMD error!!! Anthony Cruz (Thu Oct 20 2005 - 08:53:18 CDT)
- Re: AMBER: REMD error!!! Carlos Simmerling (Thu Oct 20 2005 - 07:05:41 CDT)
- Re: AMBER: REMD error!!! Anthony Cruz (Thu Oct 20 2005 - 09:45:32 CDT)
- Re: AMBER: REMD error!!! Carlos Simmerling (Thu Oct 20 2005 - 08:35:13 CDT)
- Re: AMBER: GNU Autotool integration for Amber8! Xuebin Qiao (Thu Oct 20 2005 - 08:55:10 CDT)
- AMBER: delphi and surface in MMPBSA Yong Xu (Thu Oct 20 2005 - 09:07:17 CDT)
- Re: AMBER: REMD error!!! Anthony Cruz (Thu Oct 20 2005 - 11:48:12 CDT)
- Re: AMBER: REMD error!!! Carlos Simmerling (Thu Oct 20 2005 - 10:00:22 CDT)
- Re: AMBER: REMD error!!! Guanglei Cui (Thu Oct 20 2005 - 10:51:21 CDT)
- Re: AMBER: delphi and surface in MMPBSA David A. Case (Thu Oct 20 2005 - 11:06:15 CDT)
- Re: AMBER: REMD error!!! Wei Zhang (Thu Oct 20 2005 - 11:15:51 CDT)
- Re: AMBER: REMD error!!! Carlos Simmerling (Thu Oct 20 2005 - 11:14:25 CDT)
- Re: AMBER: amber file formats. David A. Case (Thu Oct 20 2005 - 11:20:36 CDT)
- Re: AMBER: REMD error!!! Carlos Simmerling (Thu Oct 20 2005 - 11:28:15 CDT)
- Re: AMBER: REMD error!!! Anthony Cruz (Thu Oct 20 2005 - 14:13:20 CDT)
- Re: AMBER: REMD error!!! Carlos Simmerling (Thu Oct 20 2005 - 12:30:13 CDT)
- AMBER: Targeted MD Whitney Allen (Thu Oct 20 2005 - 13:04:31 CDT)
- AMBER: xleap with modified residue Whitney Allen (Thu Oct 20 2005 - 13:12:42 CDT)
- Re: AMBER: xleap with modified residue Kenley Barrett (Thu Oct 20 2005 - 13:25:41 CDT)
- Re: AMBER: Targeted MD Carlos Simmerling (Thu Oct 20 2005 - 13:31:21 CDT)
- RE: AMBER: xleap with modified residue Ross Walker (Thu Oct 20 2005 - 13:58:53 CDT)
- Re: AMBER: amber file formats. Shishir (Thu Oct 20 2005 - 15:37:16 CDT)
- Re: AMBER: amber file formats. David A. Case (Thu Oct 20 2005 - 16:32:29 CDT)
- Re: Re: AMBER: delphi and surface in MMPBSA Yong Xu (Thu Oct 20 2005 - 20:09:07 CDT)
- Re: Re: AMBER: F,Cl,Br,I in MMPBSA Yong Xu (Thu Oct 20 2005 - 20:12:15 CDT)
- Re: (2) Re: AMBER: F,Cl,Br,I in MMPBSA Yong Xu (Thu Oct 20 2005 - 20:21:33 CDT)
- Re: AMBER: trouble in calculating the distance between O atom of water molecule and atom of residue Thomas Cheatham (Thu Oct 20 2005 - 20:50:43 CDT)
- Re: AMBER: ptraj hbond analysis Thomas Cheatham (Thu Oct 20 2005 - 21:03:36 CDT)
- Re: 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)
- AMBER: Dipolar coupling refinement s0344557_at_sms.ed.ac.uk (Fri Oct 21 2005 - 08:04:39 CDT)
- Re: (2) Re: AMBER: F,Cl,Br,I in MMPBSA David A. Case (Fri Oct 21 2005 - 10:31:06 CDT)
- Re: AMBER: antechamber -- missing improper torsions David Mobley (Fri Oct 21 2005 - 12:21:01 CDT)
- Re: AMBER: antechamber -- missing improper torsions David A. Case (Fri Oct 21 2005 - 12:57:31 CDT)
- AMBER: using position restraints in target MD? Ben-Zhuo Lu (Fri Oct 21 2005 - 13:58:05 CDT)
- Re: AMBER: using position restraints in target MD? Viktor Hornak (Fri Oct 21 2005 - 15:14:42 CDT)
- Re: AMBER: Dipolar coupling refinement David A. Case (Fri Oct 21 2005 - 20:03:43 CDT)
- Re: AMBER: Free energy calculation for protein-protein complex usingMM_PBSA JunJun Liu (Sat Oct 22 2005 - 02:45:25 CDT)
- Re: Re: AMBER: delphi and surface in MMPBSA David A. Case (Sat Oct 22 2005 - 11:44:37 CDT)
- Problem solved! Re: AMBER: How to get PDB structures optimized for RED-II Cenk Andac (Sat Oct 22 2005 - 12:38:58 CDT)
- Modification of GAMESS outputs for resp jobs Re: AMBER: Cu++ and RED Cenk Andac (Sat Oct 22 2005 - 13:02:00 CDT)
- AMBER: Hi..I am new to AMBER.(compilation with MPICH-G2 libraries)... konnipati murali (Sun Oct 23 2005 - 01:38:28 CDT)
- AMBER: Problem with the QMMM example in AMBER 2004 tutorial Cenk Andac (Sun Oct 23 2005 - 11:31:45 CDT)
- RE: AMBER: Problem with the QMMM example in AMBER 2004 tutorial Ross Walker (Sun Oct 23 2005 - 12:02:55 CDT)
- Re: Problem solved! Re: AMBER: How to get PDB structures optimized for RED-II FyD (Mon Oct 24 2005 - 03:27:07 CDT)
- Re: AMBER: Simulating transition metals in amber FyD (Mon Oct 24 2005 - 03:21:52 CDT)
- Re: Modification of GAMESS outputs for resp jobs Re: AMBER: Cu++ and RED FyD (Mon Oct 24 2005 - 03:44:31 CDT)
- AMBER: rdparm: a parameter array overflowed ying xiong (Mon Oct 24 2005 - 04:17:33 CDT)
- AMBER: compiling amber with pgi 5.2.4 Hannes Barsch (Mon Oct 24 2005 - 07:21:11 CDT)
- Re: AMBER: compiling amber with pgi 5.2.4 Robert Duke (Mon Oct 24 2005 - 07:44:42 CDT)
- AMBER: error in safe Claire Zerafa (Mon Oct 24 2005 - 08:18:50 CDT)
- RE: AMBER: error in safe Ross Walker (Mon Oct 24 2005 - 09:25:38 CDT)
- Re: AMBER: compiling amber with pgi 5.2.4 Xuebin Qiao (Mon Oct 24 2005 - 10:20:08 CDT)
- Re: AMBER: error in safe Xuebin Qiao (Mon Oct 24 2005 - 10:26:41 CDT)
- Re: AMBER: rdparm: a parameter array overflowed David A. Case (Mon Oct 24 2005 - 11:00:50 CDT)
- Re: Modification of GAMESS outputs for resp jobs Re: AMBER: Cu++ and RED Cenk Andac (Mon Oct 24 2005 - 11:12:30 CDT)
- RE: AMBER: xleap with modified residue Whitney Allen (Mon Oct 24 2005 - 11:24:25 CDT)
- Re: Modification of GAMESS outputs for resp jobs Re: AMBER: Cu++ and RED Cenk Andac (Mon Oct 24 2005 - 11:43:36 CDT)
- AMBER: Is MM-PBSA doable for transition metals ? Cenk Andac (Mon Oct 24 2005 - 11:55:27 CDT)
- Re: AMBER: Is MM-PBSA doable for transition metals ? Bill Ross (Mon Oct 24 2005 - 12:10:44 CDT)
- AMBER: QMMM for copper complexes! Cenk Andac (Mon Oct 24 2005 - 12:12:22 CDT)
- Re: AMBER: xleap with modified residue David A. Case (Mon Oct 24 2005 - 12:36:40 CDT)
- AMBER: atmtypenumbers Yong Xu (Mon Oct 24 2005 - 22:25:00 CDT)
- Re: Modification of GAMESS outputs for resp jobs Re: AMBER: Cu++ and RED FyD (Tue Oct 25 2005 - 00:58:56 CDT)
- Re: Re: AMBER: rdparm: a parameter array overflowed ying xiong (Tue Oct 25 2005 - 01:03:27 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: Using RED to calculate partial charges of new amino acid Donald Thomas (Tue Oct 25 2005 - 09:50:40 CDT)
- AW: AMBER: compiling amber with pgi 5.2.4 Hannes Barsch (Tue Oct 25 2005 - 10:42:53 CDT)
- AMBER: I am looking forward to hearing from you. Mehdi Davari (Tue Oct 25 2005 - 13:38:28 CDT)
- AMBER: parmchk error : Cannot open CONNECT.TPL, exit Nitin Bhardwaj (Tue Oct 25 2005 - 16:08:02 CDT)
- Re: AMBER: parmchk error : Cannot open CONNECT.TPL, exit David A. Case (Tue Oct 25 2005 - 16:16:35 CDT)
- Re: AMBER: parmchk error : Cannot open CONNECT.TPL, exit Nitin Bhardwaj (Tue Oct 25 2005 - 16:52:32 CDT)
- AMBER: Antechamber error Nitin Bhardwaj (Tue Oct 25 2005 - 18:27:39 CDT)
- Re: AMBER: Antechamber error Nitin Bhardwaj (Tue Oct 25 2005 - 19:16:20 CDT)
- AMBER: AMBER tests (x86-64, PGI / Intel) Hannes Barsch (Wed Oct 26 2005 - 02:54:36 CDT)
- AMBER: Increase the runtime of Amber benchmarks Imran Khan (Wed Oct 26 2005 - 04:23:10 CDT)
- Re: AMBER: I am looking forward to hearing from you. Majid moghaddam (Wed Oct 26 2005 - 05:18:58 CDT)
- Re: AMBER: Using RED to calculate partial charges of new amino acid FyD (Wed Oct 26 2005 - 05:36:21 CDT)
- Re: AMBER: Increase the runtime of Amber benchmarks Carlos Simmerling (Wed Oct 26 2005 - 06:30:37 CDT)
- AMBER: seg fault error in resp Kateryna Miroshnychenko (Wed Oct 26 2005 - 08:24:37 CDT)
- AMBER: xleap, opteron, pgi and segmentation fault. Lars Packschies (Wed Oct 26 2005 - 08:57:40 CDT)
- Re: AMBER: seg fault error in resp FyD (Wed Oct 26 2005 - 09:06:40 CDT)
- Re: AMBER: seg fault error in resp Kateryna Miroshnychenko (Wed Oct 26 2005 - 10:26:37 CDT)
- Re: AMBER: seg fault error in resp FyD (Wed Oct 26 2005 - 11:13:05 CDT)
- Re: AMBER: seg fault error in resp Bill Ross (Wed Oct 26 2005 - 11:35:38 CDT)
- AMBER: using constraints with QM/MM Jakub Kostal (Wed Oct 26 2005 - 13:58:40 CDT)
- AMBER: Re: restraints xiaoqin huang (Wed Oct 26 2005 - 16:25:03 CDT)
- AMBER: some questions when using ATP du yongchun (Wed Oct 26 2005 - 21:28:44 CDT)
- Re: AMBER: seg fault error in resp Kateryna Miroshnychenko (Thu Oct 27 2005 - 09:14:24 CDT)
- Re: AMBER: seg fault error in resp FyD (Thu Oct 27 2005 - 09:39:44 CDT)
- AMBER: restart file and crd file Lishan Yao (Thu Oct 27 2005 - 08:37:29 CDT)
- AMBER: problems installing amber 7 on a RH Linux 8 machine Marios Constantinou (Thu Oct 27 2005 - 10:28:00 CDT)
- Re: AMBER: restart file and crd file Mingfeng Yang (Thu Oct 27 2005 - 11:11:16 CDT)
- Re: AMBER: restart file and crd file Carlos Simmerling (Thu Oct 27 2005 - 11:18:18 CDT)
- Re: AMBER: restart file and crd file Lishan Yao (Thu Oct 27 2005 - 10:33:20 CDT)
- AMBER: Unknown atomtypes in amber Nitin Bhardwaj (Thu Oct 27 2005 - 12:26:49 CDT)
- Re: AMBER: restart file and crd file Lishan Yao (Thu Oct 27 2005 - 10:50:15 CDT)
- Re: AMBER: restart file and crd file Melinda Layten (Thu Oct 27 2005 - 13:35:54 CDT)
- Re: AMBER: seg fault error in resp Bill Ross (Thu Oct 27 2005 - 13:40:47 CDT)
- Re: AMBER: restart file and crd file Lishan Yao (Thu Oct 27 2005 - 12:03:58 CDT)
- Re: AMBER: restart file and crd file Carlos Simmerling (Thu Oct 27 2005 - 14:03:13 CDT)
- Re: AMBER: problems installing amber 7 on a RH Linux 8 machine David A. Case (Thu Oct 27 2005 - 14:33:33 CDT)
- Re: AMBER: restart file and crd file Lishan Yao (Thu Oct 27 2005 - 12:54:26 CDT)
- Re: AMBER: restart file and crd file Mingfeng Yang (Thu Oct 27 2005 - 14:40:51 CDT)
- Re: AMBER: restart file and crd file Carlos Simmerling (Thu Oct 27 2005 - 15:03:20 CDT)
- Re: AMBER: restart file and crd file Lishan Yao (Thu Oct 27 2005 - 13:59:29 CDT)
- Re: AMBER: AMBER tests (x86-64, PGI / Intel) Scott Brozell (Thu Oct 27 2005 - 19:42:37 CDT)
- Re: AMBER: problems installing amber 7 on a RH Linux 8 machine Andreas Svrcek-Seiler (Fri Oct 28 2005 - 02:44:20 CDT)
- Fwd: Re: AMBER: REMD error!!! Anthony Cruz (Fri Oct 28 2005 - 08:06:39 CDT)
- AMBER: Cluster analysis by MMTSB or ptraj Shuting Wei (Fri Oct 28 2005 - 10:30:49 CDT)
- Re: Re: AMBER: REMD error!!! Melinda Layten (Fri Oct 28 2005 - 10:26:46 CDT)
- Re: AMBER: REMD trajectory error!!! Carlos Simmerling (Fri Oct 28 2005 - 12:06:44 CDT)
- AMBER: Metals with Amber Anton B. Guliaev (Fri Oct 28 2005 - 12:09:07 CDT)
- AMBER: REMD trajectory error!!! Anthony Cruz (Fri Oct 28 2005 - 13:10:18 CDT)
- Re: Fwd: Re: AMBER: REMD error!!! Carlos Simmerling (Fri Oct 28 2005 - 09:38:48 CDT)
- AMBER: vdw of h atoms Gustavo Pierdominici Sottile (Fri Oct 28 2005 - 14:16:10 CDT)
- Re: AMBER: Metals with Amber Bill Ross (Fri Oct 28 2005 - 15:56:50 CDT)
- Re: AMBER: vdw of h atoms Jiri Sponer (Fri Oct 28 2005 - 15:00:19 CDT)
- Re: AMBER: vdw of h atoms Bill Ross (Fri Oct 28 2005 - 17:13:59 CDT)
- RE: AMBER: vdw of h atoms Rhoad, Jonathan S. (Fri Oct 28 2005 - 18:56:24 CDT)
- RE: AMBER: vdw of h atoms Bill Ross (Fri Oct 28 2005 - 19:21:56 CDT)
- AMBER: Improper Torsional Parameters Ilyas Yildirim (Fri Oct 28 2005 - 19:59:35 CDT)
- AMBER: rounding in xleap when using saveoff command... Ilyas Yildirim (Fri Oct 28 2005 - 20:26:22 CDT)
- AMBER: amber7.0: F,Br,radius in MMPBSA Yong Xu (Sat Oct 29 2005 - 09:46:00 CDT)
- AMBER: amber7.0: F,Br,radius in MMPBSA Yong Xu (Sat Oct 29 2005 - 09:47:21 CDT)
- Re: AMBER: Unknown atomtypes in amber David A. Case (Sat Oct 29 2005 - 12:06:20 CDT)
- Re: AMBER: Unknown atomtypes in amber Nitin Bhardwaj (Sat Oct 29 2005 - 14:24:04 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: GBSA simulation problem Guillaume Bollot (Mon Oct 31 2005 - 02:23:26 CST)
- Re: AMBER: GBSA simulation problem Carlos Simmerling (Mon Oct 31 2005 - 06:25:22 CST)
- AMBER: tkbc2 Mingfeng Yang (Mon Oct 31 2005 - 16:59:17 CST)
- AMBER: mm_pbsa problem emilia wu (Mon Oct 31 2005 - 20:53:51 CST)
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 ]
[ thread ]
[ subject ]
About this archive
|