AMBER Archive (2006) - Sep 2006 By DateMost recent messages
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Starting: Fri Sep 01 2006 - 00:32:54 CDT
Ending: Fri Sep 29 2006 - 16:08:42 CDT
- Re: AMBER: Question about free energy with mm_pbsa David A. Case (Fri Sep 01 2006 - 00:32:54 CDT)
- Re: AMBER: Question about free energy with mm_pbsa Thomas Cheatham (Fri Sep 01 2006 - 01:23:59 CDT)
- AMBER: Error: cannot run "$AMBERHOME/exe/divcon" of bcc() in charge.c Jiten (Fri Sep 01 2006 - 01:55:21 CDT)
- Re: AMBER: Question about free energy with mm_pbsa William Wei (Fri Sep 01 2006 - 08:32:29 CDT)
- Re: AMBER: Error: cannot run "$AMBERHOME/exe/divcon" of bcc() in charge.c David A. Case (Fri Sep 01 2006 - 09:34:10 CDT)
- AMBER: force fields for proflavine molecule sethl_at_gatech.edu (Fri Sep 01 2006 - 12:49:00 CDT)
- AMBER: output file not generated bala (Fri Sep 01 2006 - 10:35:40 CDT)
- AMBER: Gaussian, antechamber, RESP Ed Pate (Sat Sep 02 2006 - 16:42:11 CDT)
- AMBER: Question about LEAP and twisting a dihedral angle Ilyas Yildirim (Sat Sep 02 2006 - 20:52:45 CDT)
- Re: AMBER: Question about LEAP and twisting a dihedral angle David A. Case (Sun Sep 03 2006 - 00:06:04 CDT)
- Re: AMBER: Question about LEAP and twisting a dihedral angle Ilyas Yildirim (Sun Sep 03 2006 - 01:20:27 CDT)
- Re: AMBER: Gaussian, antechamber, RESP Stefano Federico Massimiliano Pieraccini (Stefano.Pieraccini) (Sun Sep 03 2006 - 07:57:57 CDT)
- Re: AMBER: Question about LEAP and twisting a dihedral angle David A. Case (Sun Sep 03 2006 - 10:55:16 CDT)
- AMBER: Amber9: Free Energy Franck_Vendeix_at_ncsu.edu (Sun Sep 03 2006 - 18:11:44 CDT)
- Re: AMBER: Amber9: Free Energy David A. Case (Sun Sep 03 2006 - 20:57:50 CDT)
- Re: AMBER: Amber9: Free Energy Franck_Vendeix_at_ncsu.edu (Sun Sep 03 2006 - 21:27:13 CDT)
- AMBER: ligand file Fenghui Fan (Mon Sep 04 2006 - 13:20:27 CDT)
- Re: AMBER: ligand file David A. Case (Mon Sep 04 2006 - 14:02:34 CDT)
- AMBER: cAMP ligand file Fenghui Fan (Mon Sep 04 2006 - 15:00:47 CDT)
- AMBER: Implicit Water - Force field parameters Ramdas Pophale (Tue Sep 05 2006 - 14:22:49 CDT)
- Re: AMBER: Implicit Water - Force field parameters Fenghui Fan (Tue Sep 05 2006 - 15:16:37 CDT)
- AMBER: a ligand file Fenghui Fan (Tue Sep 05 2006 - 15:18:51 CDT)
- Re: AMBER: a ligand file David A. Case (Tue Sep 05 2006 - 15:55:26 CDT)
- AMBER: help with antechamber - creating ligand sethl_at_gatech.edu (Tue Sep 05 2006 - 16:10:08 CDT)
- Re: AMBER: help with antechamber - creating ligand Ilyas Yildirim (Tue Sep 05 2006 - 16:26:11 CDT)
- Re: AMBER: Implicit Water - Force field parameters Ilyas Yildirim (Tue Sep 05 2006 - 15:22:13 CDT)
- Re: AMBER: help with antechamber - creating ligand David A. Case (Tue Sep 05 2006 - 21:11:52 CDT)
- AMBER: Amber parallel version Franck_Vendeix_at_ncsu.edu (Wed Sep 06 2006 - 01:05:20 CDT)
- Re: AMBER: Amber parallel version Jyh-Shyong Ho (Wed Sep 06 2006 - 01:43:08 CDT)
- Re: AMBER: Question about LEAP and twisting a dihedral angle Ilyas Yildirim (Wed Sep 06 2006 - 03:46:57 CDT)
- AMBER: PARAMETERISATION PROBLEM Claire Zerafa (Wed Sep 06 2006 - 09:12:04 CDT)
- Re: AMBER: PARAMETERISATION PROBLEM David A. Case (Wed Sep 06 2006 - 10:20:43 CDT)
- Re: AMBER: Implicit Water - Force field parameters David A. Case (Wed Sep 06 2006 - 10:54:15 CDT)
- AMBER: Question about using PMEMD and GB H W (Wed Sep 06 2006 - 12:41:12 CDT)
- Re: AMBER: Question about using PMEMD and GB David A. Case (Wed Sep 06 2006 - 12:58:59 CDT)
- Re: AMBER: Question about using PMEMD and GB H W (Wed Sep 06 2006 - 13:31:20 CDT)
- Re: AMBER: a ligand file Fenghui Fan (Wed Sep 06 2006 - 16:16:58 CDT)
- Re: AMBER: a ligand file David A. Case (Wed Sep 06 2006 - 16:40:30 CDT)
- AMBER: improper torsion angle problem Fabian Alejandro Rodriguez (Wed Sep 06 2006 - 16:52:40 CDT)
- AMBER: trajout Weihua Li (Wed Sep 06 2006 - 22:22:28 CDT)
- AMBER: Ca2+ polarizability Martin LEPSIK (Thu Sep 07 2006 - 04:02:38 CDT)
- Re: AMBER: trajout Carlos Simmerling (Thu Sep 07 2006 - 06:04:02 CDT)
- AMBER: mdcrd file Jianhui (Thu Sep 07 2006 - 09:15:45 CDT)
- Re: AMBER: mdcrd file Mark Williamson (Thu Sep 07 2006 - 12:39:12 CDT)
- AMBER: Re: FF problem: RG residue minimizes to non-planar structure David A. Case (Thu Sep 07 2006 - 13:53:33 CDT)
- Re: AMBER: Amber parallel version Franck_Vendeix_at_ncsu.edu (Thu Sep 07 2006 - 13:45:47 CDT)
- AMBER: leap - how to recognize my structure sethl_at_gatech.edu (Thu Sep 07 2006 - 17:16:06 CDT)
- Re: AMBER: leap - how to recognize my structure Carlos Simmerling (Thu Sep 07 2006 - 17:34:09 CDT)
- RE: AMBER: mdcrd file Ross Walker (Thu Sep 07 2006 - 17:52:28 CDT)
- Re: AMBER: mdcrd file Brent Krueger (Thu Sep 07 2006 - 21:55:27 CDT)
- Re: AMBER: mdcrd file David A. Case (Fri Sep 08 2006 - 00:27:54 CDT)
- AMBER: nmode memory allocation error AYTUG TUNCEL (Fri Sep 08 2006 - 03:41:35 CDT)
- Re: AMBER: hydronium ion parameters Myunggi Yi (Fri Sep 08 2006 - 09:31:33 CDT)
- AMBER: hydronium ion parameters Myunggi Yi (Fri Sep 08 2006 - 09:15:32 CDT)
- Re: AMBER: hydronium ion parameters Jiten (Fri Sep 08 2006 - 10:12:03 CDT)
- Re: AMBER: hydronium ion parameters Myunggi Yi (Fri Sep 08 2006 - 11:09:55 CDT)
- Re: AMBER: mdcrd file Joseph Nachman (Fri Sep 08 2006 - 12:36:42 CDT)
- Re: AMBER: hydronium ion parameters Ilyas Yildirim (Fri Sep 08 2006 - 15:41:17 CDT)
- AMBER: Problem with ptraj Gobind Singh Bisht (Fri Sep 08 2006 - 16:00:19 CDT)
- AMBER: LEAP - "could not find type: NH" sethl_at_gatech.edu (Fri Sep 08 2006 - 16:08:11 CDT)
- Re: AMBER: LEAP - "could not find type: NH" Ilyas Yildirim (Fri Sep 08 2006 - 17:42:46 CDT)
- Re: AMBER: mdcrd file Carlos Simmerling (Fri Sep 08 2006 - 15:54:34 CDT)
- AMBER: seg fault during test.serial Lachele Foley (Lists) (Fri Sep 08 2006 - 15:45:05 CDT)
- Re: AMBER: seg fault during test.serial David A. Case (Fri Sep 08 2006 - 20:19:16 CDT)
- AMBER: a ligand file Fenghui Fan (Fri Sep 08 2006 - 20:31:59 CDT)
- Re: AMBER: a ligand file David A. Case (Fri Sep 08 2006 - 20:53:18 CDT)
- AMBER: pmf with respect to a surface Rahaman, Asif (Fri Sep 08 2006 - 17:35:22 CDT)
- Re: AMBER: a ligand file Ilyas Yildirim (Fri Sep 08 2006 - 21:23:48 CDT)
- Re: AMBER: a ligand file Fenghui Fan (Fri Sep 08 2006 - 22:06:49 CDT)
- Re: AMBER: a ligand file Ilyas Yildirim (Fri Sep 08 2006 - 23:05:11 CDT)
- Re: AMBER: Problem with ptraj Gobind Singh Bisht (Fri Sep 08 2006 - 23:35:28 CDT)
- AMBER: post nmanal $B?y?9_at_5F;(B (Sat Sep 09 2006 - 01:03:47 CDT)
- AMBER: EGB term decomposition backy (Sat Sep 09 2006 - 04:00:08 CDT)
- AMBER: EGB term decomposition backy (Sat Sep 09 2006 - 04:01:34 CDT)
- AMBER: EGB term decomposition backy (Sat Sep 09 2006 - 03:57:43 CDT)
- AMBER: protein-ligand interaction Fenghui Fan (Sat Sep 09 2006 - 11:59:51 CDT)
- Re: AMBER: post nmanal David A. Case (Sat Sep 09 2006 - 11:54:34 CDT)
- Re: AMBER: protein-ligand interaction Ilyas Yildirim (Sat Sep 09 2006 - 16:58:10 CDT)
- AMBER: resp Fenghui Fan (Sat Sep 09 2006 - 20:07:48 CDT)
- AMBER: resp Fenghui Fan (Sat Sep 09 2006 - 20:03:06 CDT)
- Re: AMBER: pmf with respect to a surface David A. Case (Sat Sep 09 2006 - 23:14:30 CDT)
- Re: AMBER: nmode memory allocation error David A. Case (Sat Sep 09 2006 - 23:17:54 CDT)
- Re: AMBER: resp FyD (Sun Sep 10 2006 - 02:46:11 CDT)
- AMBER: (no subject) Prashanth Athri (Sun Sep 10 2006 - 19:23:05 CDT)
- AMBER: Parmchk problems (parm99.dat) Prashanth Athri (Sun Sep 10 2006 - 19:23:25 CDT)
- Re: AMBER: post nmanal $B?y?9_at_5F;(B (Mon Sep 11 2006 - 01:09:28 CDT)
- AMBER: Oon Modeling the metalloprotein with GB model. wenfei Li (Mon Sep 11 2006 - 02:41:16 CDT)
- Re: AMBER: nmode memory allocation error Cenk Andac (Mon Sep 11 2006 - 04:48:30 CDT)
- AMBER: Error in Running Sander Jianhui Tian (Mon Sep 11 2006 - 08:52:39 CDT)
- AMBER: set a trucated octahedron box in Leap Vlad Cojocaru (Mon Sep 11 2006 - 09:24:44 CDT)
- AMBER: How to get the ligand. ac file Fenghui Fan (Mon Sep 11 2006 - 09:46:54 CDT)
- Re: AMBER: seg fault during test.serial Lachele Foley (Lists) (Mon Sep 11 2006 - 09:50:57 CDT)
- AMBER: cAMP ligand charge Fenghui Fan (Mon Sep 11 2006 - 10:06:40 CDT)
- AMBER: Parallel compile: ld: cannot find -lfmpi Lachele Foley (Lists) (Mon Sep 11 2006 - 10:38:00 CDT)
- Re: AMBER: cAMP ligand charge David A. Case (Mon Sep 11 2006 - 10:35:53 CDT)
- Re: AMBER: seg fault during test.serial David A. Case (Mon Sep 11 2006 - 10:54:43 CDT)
- Re: AMBER: set a trucated octahedron box in Leap David A. Case (Mon Sep 11 2006 - 10:56:59 CDT)
- Re: AMBER: Error in Running Sander David A. Case (Mon Sep 11 2006 - 10:59:45 CDT)
- AMBER: System in polarizable waters Martin LEPSIK (Mon Sep 11 2006 - 11:14:24 CDT)
- Re: AMBER: Error in Running Sander Jianhui (Mon Sep 11 2006 - 12:10:55 CDT)
- Re: AMBER: mdcrd file Joseph Nachman (Mon Sep 11 2006 - 13:00:21 CDT)
- Re: AMBER: System in polarizable waters David A. Case (Mon Sep 11 2006 - 13:12:04 CDT)
- Re: AMBER: Parallel compile: ld: cannot find -lfmpi David A. Case (Mon Sep 11 2006 - 13:19:12 CDT)
- RE: AMBER: Parmchk problems (parm99.dat) Junmei Wang (Mon Sep 11 2006 - 15:48:51 CDT)
- Re: AMBER: Parallel compile: ld: cannot find -lfmpi Lachele Foley (Lists) (Mon Sep 11 2006 - 15:39:55 CDT)
- AMBER: angle between helices ÕÅÓÂ (Mon Sep 11 2006 - 21:05:51 CDT)
- Re: AMBER: set a trucated octahedron box in Leap Vlad Cojocaru (Tue Sep 12 2006 - 03:30:06 CDT)
- Re: AMBER: set a trucated octahedron box in Leap Ilyas Yildirim (Tue Sep 12 2006 - 03:48:56 CDT)
- AMBER: Installing AMBER9 on cygwin (WinXP) HARADA Makoto (Tue Sep 12 2006 - 04:38:19 CDT)
- Re: AMBER: Installing AMBER9 on cygwin (WinXP) Gobind Singh Bisht (Tue Sep 12 2006 - 06:57:06 CDT)
- Re: AMBER: set a trucated octahedron box in Leap David A. Case (Tue Sep 12 2006 - 10:03:24 CDT)
- Re: AMBER: Installing AMBER9 on cygwin (WinXP) David A. Case (Tue Sep 12 2006 - 10:01:41 CDT)
- RE: AMBER: Parmchk problems (parm99.dat) Prashanth Athri (Tue Sep 12 2006 - 10:54:08 CDT)
- RE: AMBER: Parmchk problems (parm99.dat) Prashanth Athri (Tue Sep 12 2006 - 12:10:55 CDT)
- RE: AMBER: Parmchk problems (parm99.dat) Junmei Wang (Tue Sep 12 2006 - 13:41:21 CDT)
- RE: AMBER: Parmchk problems (parm99.dat) Prashanth Athri (Tue Sep 12 2006 - 14:30:02 CDT)
- RE: AMBER: Parmchk problems (parm99.dat) Junmei Wang (Tue Sep 12 2006 - 15:44:30 CDT)
- AMBER: forrtl: severe (64): input conversion error, unit 9, file Ilyas Yildirim (Tue Sep 12 2006 - 16:09:34 CDT)
- RE: AMBER: forrtl: severe (64): input conversion error, unit 9, file Ross Walker (Tue Sep 12 2006 - 16:35:47 CDT)
- RE: AMBER: forrtl: severe (64): input conversion error, unit 9, file Ilyas Yildirim (Tue Sep 12 2006 - 17:49:33 CDT)
- Re: AMBER: Problem with ptraj Thomas Cheatham (Tue Sep 12 2006 - 21:47:46 CDT)
- AMBER: about ligand charge Fenghui Fan (Tue Sep 12 2006 - 22:16:27 CDT)
- AMBER: how to feed dihedral angles of our choice to the linear sequence in amber8 priya priya (Wed Sep 13 2006 - 04:02:33 CDT)
- AMBER: 'lastrst' error for amber8 Arvind Marathe (Wed Sep 13 2006 - 07:52:07 CDT)
- AMBER: "NO CONVERGENCE IN SCF CALCULATION" in divcon in Amber9 package Zhihong Yu (Wed Sep 13 2006 - 07:57:44 CDT)
- AW: AMBER: how to feed dihedral angles of our choice to the linear sequence in amber8 Hannes Barsch (Wed Sep 13 2006 - 08:54:54 CDT)
- AMBER: On the temperature increasement in the restriction MD in the tutorial 2 section 5 Fenghui Fan (Wed Sep 13 2006 - 09:23:33 CDT)
- AMBER: RDC refinement Young-Tae Lee (Wed Sep 13 2006 - 10:13:30 CDT)
- Re: AMBER: 'lastrst' error for amber8 michael crowley (Wed Sep 13 2006 - 10:14:08 CDT)
- Re: AMBER: 'lastrst' error for amber8 Robert Duke (Wed Sep 13 2006 - 10:28:16 CDT)
- Re: AMBER: RDC refinement David A. Case (Wed Sep 13 2006 - 10:35:07 CDT)
- Re: AMBER: On the temperature increasement in the restriction MD in the tutorial 2 section 5 Thomas Cheatham (Wed Sep 13 2006 - 10:48:54 CDT)
- Re: AMBER: "NO CONVERGENCE IN SCF CALCULATION" in divcon in Amber9 package David A. Case (Wed Sep 13 2006 - 11:32:39 CDT)
- AMBER: energy data for limited part of system Tanya Johannsen (Wed Sep 13 2006 - 12:57:15 CDT)
- Re: AMBER: how to feed dihedral angles of our choice to the linear sequence in amber8 Ilyas Yildirim (Wed Sep 13 2006 - 12:59:10 CDT)
- AMBER: residence time of water molecules venditti2_at_unisi.it (Wed Sep 13 2006 - 09:56:34 CDT)
- AMBER: the time length of the restricted MD Fenghui Fan (Wed Sep 13 2006 - 14:38:59 CDT)
- AMBER: Mixed solvent? Mingfeng Yang (Wed Sep 13 2006 - 14:44:32 CDT)
- AMBER: Error in reading RDC data Lee, Young-Tae (Wed Sep 13 2006 - 15:09:42 CDT)
- AMBER: MAXM in nmode William Wei (Wed Sep 13 2006 - 15:24:14 CDT)
- AMBER: LENNARD_JONES_ACOEF & BCOEF prmtop changes Michael Mazanetz (Wed Sep 13 2006 - 15:42:02 CDT)
- Re: AMBER: MAXM in nmode William Wei (Wed Sep 13 2006 - 16:07:52 CDT)
- Re: AMBER: MAXM in nmode David A. Case (Wed Sep 13 2006 - 16:17:29 CDT)
- AMBER: pqr from constant pH MD harianto (Wed Sep 13 2006 - 16:43:13 CDT)
- Re: AMBER: Error in reading RDC data David A. Case (Wed Sep 13 2006 - 16:44:14 CDT)
- Re: AMBER: "NO CONVERGENCE IN SCF CALCULATION" in divcon in Amber9 package Zhihong Yu (Wed Sep 13 2006 - 22:21:07 CDT)
- Re: AMBER: "NO CONVERGENCE IN SCF CALCULATION" in divcon in Amber9 package David A. Case (Thu Sep 14 2006 - 00:53:50 CDT)
- Re: AMBER: "NO CONVERGENCE IN SCF CALCULATION" in divcon in Amber9 package Zhihong Yu (Thu Sep 14 2006 - 01:47:07 CDT)
- Re: AMBER: LENNARD_JONES_ACOEF & BCOEF prmtop changes Michael Mazanetz (Thu Sep 14 2006 - 03:15:43 CDT)
- Re: AMBER: residence time of water molecules Angelo (Thu Sep 14 2006 - 03:57:38 CDT)
- Re: AMBER: 'lastrst' error for amber8 Arvind Marathe (Thu Sep 14 2006 - 08:08:08 CDT)
- AMBER: MD on protein-ligand interaction Fenghui Fan (Thu Sep 14 2006 - 09:04:20 CDT)
- AMBER: potential energy in the MD result Fenghui Fan (Thu Sep 14 2006 - 09:39:12 CDT)
- Re: AMBER: 'lastrst' error for amber8 David A. Case (Thu Sep 14 2006 - 10:05:25 CDT)
- AMBER: addions default settings. asli ertekin (Thu Sep 14 2006 - 10:37:47 CDT)
- AMBER: pmemd error bala (Thu Sep 14 2006 - 10:34:12 CDT)
- Re: AMBER: pmemd error Robert Duke (Thu Sep 14 2006 - 11:46:30 CDT)
- Re: AMBER: pmemd error Robert Duke (Thu Sep 14 2006 - 11:46:40 CDT)
- Re: AMBER: addions default settings. Bill Ross (Thu Sep 14 2006 - 12:14:18 CDT)
- AMBER: acidifying a water box Eric Shamay (Thu Sep 14 2006 - 13:36:11 CDT)
- AMBER: DPPC Bilayer size Akshay Patny (Thu Sep 14 2006 - 13:47:45 CDT)
- Re: AMBER: MD on protein-ligand interaction Ilyas Yildirim (Thu Sep 14 2006 - 14:09:14 CDT)
- Re: AMBER: acidifying a water box David A. Case (Thu Sep 14 2006 - 17:21:01 CDT)
- AMBER: Denaturing MD Fenghui Fan (Thu Sep 14 2006 - 17:58:35 CDT)
- Re: AMBER: acidifying a water box Thomas Cheatham (Thu Sep 14 2006 - 17:56:32 CDT)
- AMBER: mm_pbsa snapshots for "three-trajectory" In Hee Park (Thu Sep 14 2006 - 18:42:13 CDT)
- Re: AMBER: Denaturing MD Thomas Cheatham (Thu Sep 14 2006 - 18:55:59 CDT)
- AMBER: Temperature not rising enough during simulated annealing Adam Pelzer (Thu Sep 14 2006 - 22:30:12 CDT)
- AMBER: on the rst file of the current ruuning Fenghui Fan (Thu Sep 14 2006 - 22:33:50 CDT)
- AMBER: cyclic AMP off and frcmod files? Daniel Lee (Thu Sep 14 2006 - 22:52:33 CDT)
- Re: [UCE]AMBER: Temperature not rising enough during simulated annealing Thomas Cheatham (Thu Sep 14 2006 - 23:33:42 CDT)
- AMBER: restraints and constant pressure Joshua (Fri Sep 15 2006 - 00:44:09 CDT)
- Re: AMBER: restraints and constant pressure Thomas Cheatham (Fri Sep 15 2006 - 01:22:02 CDT)
- Re: AMBER: acidifying a water box Eric Shamay (Fri Sep 15 2006 - 03:49:15 CDT)
- Re: AMBER: restraints and constant pressure Joshua (Fri Sep 15 2006 - 04:09:44 CDT)
- Re: AMBER: cyclic AMP off and frcmod files? Fenghui Fan (Fri Sep 15 2006 - 08:44:49 CDT)
- Re: AMBER: restraints and constant pressure Myunggi Yi (Fri Sep 15 2006 - 14:52:21 CDT)
- Re: AMBER: 'lastrst' error for amber8 Arvind Marathe (Fri Sep 15 2006 - 15:01:43 CDT)
- AMBER: About Lennard-Jones Parameters Jianhui (Fri Sep 15 2006 - 16:08:13 CDT)
- AMBER: distance between two atoms Fenghui Fan (Fri Sep 15 2006 - 15:49:11 CDT)
- AMBER: Problems with a restrained minimization approach Abhilash (Fri Sep 15 2006 - 14:35:34 CDT)
- Re: AMBER: About Lennard-Jones Parameters David A. Case (Fri Sep 15 2006 - 19:07:35 CDT)
- AMBER: new article on Amber force fields Carlos Simmerling (Fri Sep 15 2006 - 14:47:34 CDT)
- Re: AMBER: Problems with a restrained minimization approach David A. Case (Fri Sep 15 2006 - 19:41:04 CDT)
- AMBER: have problems with restrained minimization Abhilash (Fri Sep 15 2006 - 13:10:50 CDT)
- Re: AMBER: 'lastrst' error for amber8 David A. Case (Sat Sep 16 2006 - 11:50:31 CDT)
- Re: AMBER: restraints and constant pressure Thomas Cheatham (Sat Sep 16 2006 - 23:38:06 CDT)
- AMBER: change mdcrd file to pdb file Fenghui Fan (Sun Sep 17 2006 - 00:02:54 CDT)
- Re: AMBER: change mdcrd file to pdb file Ilyas Yildirim (Sun Sep 17 2006 - 00:17:21 CDT)
- Re: AMBER: restraints and constant pressure Myunggi Yi (Sun Sep 17 2006 - 01:29:38 CDT)
- AMBER: lib-4324 : UNRECOVERABLE library error Vasu Chandrasekaran (Sun Sep 17 2006 - 02:36:26 CDT)
- Re: AMBER: 'lastrst' error for amber8 Arvind Marathe (Sun Sep 17 2006 - 07:02:09 CDT)
- Re: AMBER: lib-4324 : UNRECOVERABLE library error Robert Duke (Sun Sep 17 2006 - 07:30:08 CDT)
- Re: AMBER: restraints and constant pressure Carlos Simmerling (Sun Sep 17 2006 - 09:01:54 CDT)
- Re: AMBER: change mdcrd file to pdb file Jianhui (Sun Sep 17 2006 - 09:16:29 CDT)
- Re: AMBER: restraints and constant pressure Myunggi Yi (Sun Sep 17 2006 - 09:23:33 CDT)
- Re: AMBER: change mdcrd file to pdb file Fenghui Fan (Sun Sep 17 2006 - 10:30:02 CDT)
- Re: AMBER: change mdcrd file to pdb file Fabian Alejandro Rodriguez (Sun Sep 17 2006 - 11:04:22 CDT)
- Re: AMBER: lib-4324 : UNRECOVERABLE library error Vasu Chandrasekaran (Sun Sep 17 2006 - 12:23:24 CDT)
- Re: AMBER: energy data for limited part of system David A. Case (Sun Sep 17 2006 - 18:56:23 CDT)
- Re: AMBER: improper torsion angle problem David A. Case (Sun Sep 17 2006 - 18:52:38 CDT)
- AMBER: potential energy Fenghui Fan (Sun Sep 17 2006 - 19:38:44 CDT)
- Re: AMBER: cyclic AMP off and frcmod files? Daniel Lee (Sun Sep 17 2006 - 21:10:28 CDT)
- Re: AMBER: 'lastrst' error for amber8 Arvind Marathe (Mon Sep 18 2006 - 01:50:41 CDT)
- AMBER: parameters for Nickel and iron Rachel (Mon Sep 18 2006 - 08:02:39 CDT)
- Re: AMBER: 'lastrst' error for amber8 David A. Case (Mon Sep 18 2006 - 10:44:49 CDT)
- RE: AMBER: potential energy Ross Walker (Mon Sep 18 2006 - 10:52:23 CDT)
- RE: AMBER: on the rst file of the current ruuning Ross Walker (Mon Sep 18 2006 - 10:58:01 CDT)
- Re: AMBER: 'lastrst' error for amber8 Arvind Marathe (Mon Sep 18 2006 - 11:25:33 CDT)
- Re: AMBER: 'lastrst' error for amber8 David A. Case (Mon Sep 18 2006 - 11:41:56 CDT)
- AMBER: Restart problem on PMEMD with position restraint. Chunhu Tan (Mon Sep 18 2006 - 12:46:35 CDT)
- Re: AMBER: 'lastrst' error for amber8 Arvind Marathe (Mon Sep 18 2006 - 12:44:11 CDT)
- Re: AMBER: Restart problem on PMEMD with position restraint. Robert Duke (Mon Sep 18 2006 - 13:20:27 CDT)
- RE: AMBER: Restart problem on PMEMD with position restraint. Ross Walker (Mon Sep 18 2006 - 13:32:05 CDT)
- AMBER: Questions Joseph Fernandez (Mon Sep 18 2006 - 13:48:25 CDT)
- Re: AMBER: Restart problem on PMEMD with position restraint. David A. Case (Mon Sep 18 2006 - 14:09:46 CDT)
- AMBER: ptraj RMSD vs. RMSF Steve Seibold (Mon Sep 18 2006 - 14:54:02 CDT)
- AMBER: A question about Dynamics. Qingning Shu (Mon Sep 18 2006 - 15:40:21 CDT)
- AMBER: Question about Streptavidin/Biotin Tutorial. Qingning Shu (Mon Sep 18 2006 - 15:39:38 CDT)
- Re: AMBER: A question about Dynamics. David A. Case (Mon Sep 18 2006 - 15:55:47 CDT)
- AMBER: A question about Dynamics. Qingning Shu (Mon Sep 18 2006 - 15:57:17 CDT)
- RE: AMBER: Restart problem on PMEMD with position restraint. Chunhu Tan (Mon Sep 18 2006 - 16:10:44 CDT)
- Re: AMBER: A question about Dynamics. Chunhu Tan (Mon Sep 18 2006 - 16:24:22 CDT)
- RE: AMBER: Restart problem on PMEMD with position restraint. Ross Walker (Mon Sep 18 2006 - 16:57:58 CDT)
- RE: AMBER: Question about Streptavidin/Biotin Tutorial. Ross Walker (Mon Sep 18 2006 - 17:10:39 CDT)
- Re: RE: AMBER: potential energy linfu (Mon Sep 18 2006 - 20:44:18 CDT)
- Re: [UCE]Re: RE: AMBER: potential energy Thomas Cheatham (Mon Sep 18 2006 - 21:16:20 CDT)
- Re: [UCE]Re: RE: AMBER: potential energy Fenghui Fan (Mon Sep 18 2006 - 21:41:09 CDT)
- Re: AMBER: parameters for Nickel and iron Fenghui Fan (Mon Sep 18 2006 - 21:45:24 CDT)
- RE: [UCE]Re: RE: AMBER: potential energy Ross Walker (Mon Sep 18 2006 - 23:01:04 CDT)
- AMBER: Can salt effect be determined in GB medel? Xioling Chuang (Mon Sep 18 2006 - 23:04:03 CDT)
- Re: AMBER: Can salt effect be determined in GB medel? linfu (Tue Sep 19 2006 - 01:32:16 CDT)
- AMBER: implicit solovent model by adjusting the parameter EXTDIEL ? linfu (Tue Sep 19 2006 - 01:40:52 CDT)
- AMBER: resolving a bad initial model wang_at_cbs.cnrs.fr (Tue Sep 19 2006 - 09:42:11 CDT)
- Re: AMBER: resolving a bad initial model Andy Purkiss-Trew (Tue Sep 19 2006 - 09:51:01 CDT)
- Re: AMBER: resolving a bad initial model Carlos Simmerling (Tue Sep 19 2006 - 09:53:47 CDT)
- Re: AMBER: resolving a bad initial model Stefano Pieraccini (Tue Sep 19 2006 - 10:25:46 CDT)
- Re: AMBER: parameters for Nickel and iron Rachel (Tue Sep 19 2006 - 11:00:45 CDT)
- RE: AMBER: parameters for Nickel and iron Junmei Wang (Tue Sep 19 2006 - 11:16:26 CDT)
- Re: RE: AMBER: potential energy Thomas Cheatham (Tue Sep 19 2006 - 11:57:47 CDT)
- Re: AMBER: implicit solovent model by adjusting the parameter EXTDIEL ? David A. Case (Tue Sep 19 2006 - 12:29:51 CDT)
- AMBER: ACML and MASS/MASSV for sander and pmemd Nicolas Lux Fawzi (Tue Sep 19 2006 - 14:36:21 CDT)
- Re: AMBER: parameters for Nickel and iron Ken Merz (Tue Sep 19 2006 - 15:00:51 CDT)
- Re: AMBER: ACML and MASS/MASSV for sander and pmemd Robert Duke (Tue Sep 19 2006 - 15:03:00 CDT)
- AMBER: coordinate files Ed Pate (Tue Sep 19 2006 - 15:17:26 CDT)
- RE: AMBER: ACML and MASS/MASSV for sander and pmemd Ross Walker (Tue Sep 19 2006 - 15:24:02 CDT)
- Re: AMBER: ACML and MASS/MASSV for sander and pmemd Robert Duke (Tue Sep 19 2006 - 15:42:05 CDT)
- AMBER: installation error for pmemd in Amber 9/Opteron Sergio Aragon (Tue Sep 19 2006 - 16:25:53 CDT)
- RE: AMBER: installation error for pmemd in Amber 9/Opteron Ross Walker (Tue Sep 19 2006 - 16:41:11 CDT)
- AMBER: zzfft error for pmemd in Amber 9/Opteron Sergio Aragon (Tue Sep 19 2006 - 17:53:10 CDT)
- AMBER: zzfft issue resolved -thanks! Sergio Aragon (Tue Sep 19 2006 - 18:09:25 CDT)
- AMBER: the sequence command in leap Shuting Wei (Wed Sep 20 2006 - 10:32:17 CDT)
- AMBER: Steve Seibold (Wed Sep 20 2006 - 11:56:00 CDT)
- AMBER: GPCR-membrane issue Akshay Patny (Wed Sep 20 2006 - 12:30:24 CDT)
- AMBER: Problems using rst distance constraints in Amber 8 Whitney Allen (Wed Sep 20 2006 - 13:30:05 CDT)
- Re: AMBER: Problems using rst distance constraints in Amber 8 David A. Case (Wed Sep 20 2006 - 14:12:20 CDT)
- AMBER: Which POPC Bilayer to start? Akshay Patny (Wed Sep 20 2006 - 16:48:42 CDT)
- Re: AMBER: coordinate files David A. Case (Wed Sep 20 2006 - 20:22:47 CDT)
- RE: AMBER: Parmchk problems (parm99.dat) Piotr Cieplak (Wed Sep 20 2006 - 22:46:19 CDT)
- Re: AMBER: Parmchk problems (parm99.dat) David A. Case (Wed Sep 20 2006 - 23:22:56 CDT)
- AMBER: mm-pbsa output Stefano Pieraccini (Thu Sep 21 2006 - 03:51:28 CDT)
- AMBER: bad atom type: Li jitrayut jitonnom (Thu Sep 21 2006 - 05:30:24 CDT)
- Re: AMBER: mm-pbsa output alfredoq_at_fcq.unc.edu.ar (Thu Sep 21 2006 - 06:29:51 CDT)
- Re: AMBER: parameters for Nickel and iron Rachel (Thu Sep 21 2006 - 06:50:23 CDT)
- Re: Re: AMBER: A question about Dynamics. Qingning Shu (Thu Sep 21 2006 - 09:38:47 CDT)
- RE: Re: AMBER: A question about Dynamics. Ross Walker (Thu Sep 21 2006 - 10:58:08 CDT)
- AMBER: proposed patch for ptraj/evec.c (Amber 9.0) Cameron Abrams (Thu Sep 21 2006 - 12:26:35 CDT)
- AMBER: Temperature fluctuation BIG with ntt=3 Mingfeng Yang (Thu Sep 21 2006 - 18:14:24 CDT)
- Re: AMBER: Temperature fluctuation BIG with ntt=3 Carlos Simmerling (Thu Sep 21 2006 - 19:48:07 CDT)
- Re: AMBER: Temperature fluctuation BIG with ntt=3 David A. Case (Thu Sep 21 2006 - 20:39:46 CDT)
- AMBER: Amber8: problem related to antechamber priya priya (Thu Sep 21 2006 - 23:11:23 CDT)
- Re: AMBER: Temperature fluctuation BIG with ntt=3 Mingfeng Yang (Thu Sep 21 2006 - 23:59:54 CDT)
- AMBER: RMSd vs RMSf Steve Seibold (Fri Sep 22 2006 - 08:42:28 CDT)
- Re: AMBER: Amber8: problem related to antechamber David A. Case (Fri Sep 22 2006 - 09:52:35 CDT)
- AMBER: TI-FEP : strange result for different clambda values Biswa Ranjan Meher (Fri Sep 22 2006 - 10:26:30 CDT)
- Re: AMBER: TI-FEP : strange result for different clambda values Thomas Steinbrecher (Fri Sep 22 2006 - 10:38:10 CDT)
- Re: AMBER: TI-FEP : strange result for different clambda values David Mobley (Fri Sep 22 2006 - 11:38:19 CDT)
- AMBER: center of mass dihedral restraints Lauren O'Neil (Fri Sep 22 2006 - 14:03:32 CDT)
- AMBER: build a polymer with sequence command Shuting Wei (Fri Sep 22 2006 - 15:41:43 CDT)
- Re: AMBER: build a polymer with sequence command David A. Case (Fri Sep 22 2006 - 16:01:27 CDT)
- Re: AMBER: build a polymer with sequence command Shuting Wei (Fri Sep 22 2006 - 16:42:04 CDT)
- AMBER: leap can't assign CALA Myunggi Yi (Fri Sep 22 2006 - 17:09:06 CDT)
- Re: RE: Re: AMBER: A question about Dynamics. Qingning Shu (Fri Sep 22 2006 - 17:28:54 CDT)
- AMBER: pbsa segmentation faults Thomas Steinbrecher (Fri Sep 22 2006 - 18:46:11 CDT)
- Re: AMBER: build a polymer with sequence command David A. Case (Fri Sep 22 2006 - 19:03:35 CDT)
- Re: RE: Re: AMBER: A question about Dynamics. David A. Case (Fri Sep 22 2006 - 19:57:46 CDT)
- Re: AMBER: leap can't assign CALA David A. Case (Fri Sep 22 2006 - 19:53:29 CDT)
- AMBER: Picking up water molecules around one molecule Atsutoshi Okabe (Sat Sep 23 2006 - 03:26:12 CDT)
- Re: AMBER: leap can't assign CALA Myunggi Yi (Sat Sep 23 2006 - 10:36:12 CDT)
- AMBER: one question on MD Fenghui Fan (Sat Sep 23 2006 - 20:03:11 CDT)
- Re: AMBER: one question on MD Carlos Simmerling (Sat Sep 23 2006 - 20:32:46 CDT)
- AMBER: the RMSD of MD Fenghui Fan (Sun Sep 24 2006 - 12:07:56 CDT)
- Re: AMBER: the RMSD of MD Adrian Roitberg (Sun Sep 24 2006 - 12:49:52 CDT)
- Re: AMBER: pbsa segmentation faults Ray Luo (Sun Sep 24 2006 - 01:40:58 CDT)
- AMBER: strange values of the energy of "1-4 EEL" , "EAMBER" and the RMS Zhihong Yu (Sun Sep 24 2006 - 22:03:28 CDT)
- Re: AMBER: strange values of the energy of "1-4 EEL" , "EAMBER" and the RMS Carlos Simmerling (Mon Sep 25 2006 - 06:30:57 CDT)
- Re: AMBER: center of mass dihedral restraints Carlos Simmerling (Mon Sep 25 2006 - 06:43:49 CDT)
- AMBER: polarizable ff for ligand bala (Mon Sep 25 2006 - 08:53:02 CDT)
- Re: AMBER: center of mass dihedral restraints Lauren O'Neil (Mon Sep 25 2006 - 10:39:19 CDT)
- AMBER: question on Lennard-Jones fitting in FF94 and 96 David Mobley (Mon Sep 25 2006 - 12:07:45 CDT)
- Re: AMBER: build a polymer with sequence command Shuting Wei (Mon Sep 25 2006 - 12:15:10 CDT)
- Re: AMBER: center of mass dihedral restraints venditti2_at_unisi.it (Mon Sep 25 2006 - 12:44:01 CDT)
- AMBER: mm_pbsa segmentation faults Thomas Steinbrecher (Mon Sep 25 2006 - 13:24:17 CDT)
- Re: AMBER: strange values of the energy of "1-4 EEL" , "EAMBER" and the RMS JunJun Liu (Mon Sep 25 2006 - 14:28:55 CDT)
- Re: AMBER: build a polymer with sequence command David A. Case (Mon Sep 25 2006 - 16:37:54 CDT)
- Re: AMBER: mm_pbsa segmentation faults linfu (Mon Sep 25 2006 - 19:56:08 CDT)
- Re: AMBER: mm_pbsa segmentation faults Ray Luo (Mon Sep 25 2006 - 20:17:54 CDT)
- Re: AMBER: strange values of the energy of "1-4 EEL" , "EAMBER" andthe RMS Zhihong Yu (Mon Sep 25 2006 - 20:20:14 CDT)
- AMBER: from ADP-small protein complex to GTP-protein complex Fenghui Fan (Mon Sep 25 2006 - 23:00:53 CDT)
- AMBER: lifetime and maxocc Sergey Samsonov (Tue Sep 26 2006 - 10:56:26 CDT)
- Re: AMBER: mm_pbsa segmentation faults Ray Luo (Tue Sep 26 2006 - 11:29:26 CDT)
- AMBER: structure from MD Fenghui Fan (Tue Sep 26 2006 - 11:42:14 CDT)
- Re: AMBER: structure from MD Carlos Simmerling (Tue Sep 26 2006 - 11:43:58 CDT)
- Re: AMBER: mm_pbsa segmentation faults Thomas Steinbrecher (Tue Sep 26 2006 - 12:31:34 CDT)
- AMBER: chemical shift restrains Emilia Sikorska (Tue Sep 26 2006 - 13:22:05 CDT)
- RE: AMBER: Amber8: problem related to antechamber Junmei Wang (Tue Sep 26 2006 - 16:15:07 CDT)
- RE: AMBER: parameters for Nickel and iron Junmei Wang (Tue Sep 26 2006 - 16:38:08 CDT)
- Re: AMBER: mm_pbsa segmentation faults Mark Williamson (Tue Sep 26 2006 - 16:41:06 CDT)
- AMBER: missing benchmark files Mark H. Schofield (Tue Sep 26 2006 - 17:32:38 CDT)
- AMBER: job crashes Xiaowei (David) Li (Tue Sep 26 2006 - 22:09:04 CDT)
- Re: AMBER: job crashes JunJun Liu (Tue Sep 26 2006 - 22:39:52 CDT)
- AMBER: RE: Amber8: problem related to antechamber priya priya (Tue Sep 26 2006 - 22:49:34 CDT)
- Re: AMBER: job crashes Xiaowei (David) Li (Tue Sep 26 2006 - 22:57:18 CDT)
- Re: AMBER: bad atom type: Li David A. Case (Wed Sep 27 2006 - 01:03:56 CDT)
- Re: AMBER: missing benchmark files David A. Case (Wed Sep 27 2006 - 01:50:49 CDT)
- AMBER: RE: Amber8: problem related to antechamber priya priya (Wed Sep 27 2006 - 02:29:01 CDT)
- AMBER: kclust Fabiana Caporuscio (Wed Sep 27 2006 - 03:32:51 CDT)
- Re: AMBER: parameters for Nickel and iron Rachel (Wed Sep 27 2006 - 08:53:45 CDT)
- AMBER: A script file for measuring the distance between 2 atoms during MD Fenghui Fan (Wed Sep 27 2006 - 10:14:23 CDT)
- Re: AMBER: A script file for measuring the distance between 2 atoms during MD Fenghui Fan (Wed Sep 27 2006 - 12:49:53 CDT)
- Re: AMBER: A script file for measuring the distance between 2 atoms during MD Carlos Simmerling (Wed Sep 27 2006 - 12:59:33 CDT)
- Re: AMBER: A script file for measuring the distance between 2 atoms during MD Thomas Cheatham (Wed Sep 27 2006 - 13:05:25 CDT)
- Re: AMBER: A script file for measuring the distance between 2 atoms during MD Carlos Simmerling (Wed Sep 27 2006 - 13:26:35 CDT)
- Re: AMBER: A script file for measuring the distance between 2 atoms during MD Carlos Simmerling (Wed Sep 27 2006 - 13:33:01 CDT)
- Re: AMBER: A script file for measuring the distance between 2 atoms during MD Fenghui Fan (Wed Sep 27 2006 - 14:44:08 CDT)
- AMBER: Error in compiling Amber 8 parallel Jianhui Tian (Wed Sep 27 2006 - 15:28:48 CDT)
- AMBER: Multiple Timestep MD David LeBard (Wed Sep 27 2006 - 20:03:35 CDT)
- AMBER: WHATIF Check after MD Fenghui Fan (Wed Sep 27 2006 - 21:24:39 CDT)
- Re: AMBER: WHATIF Check after MD FyD (Wed Sep 27 2006 - 23:06:30 CDT)
- AMBER: Questions/observations about Nudged Elastic Band (NEB) Pietro Amodeo (Thu Sep 28 2006 - 05:56:36 CDT)
- AMBER: NAD parameters Uni-Halle (Thu Sep 28 2006 - 08:06:06 CDT)
- Re: AMBER: NAD parameters cristian obiol (Thu Sep 28 2006 - 08:56:43 CDT)
- RE: AMBER: NAD parameters Ross Walker (Thu Sep 28 2006 - 10:32:48 CDT)
- RE: AMBER: Questions/observations about Nudged Elastic Band (NEB) Ross Walker (Thu Sep 28 2006 - 10:29:29 CDT)
- RE: AMBER: Error in compiling Amber 8 parallel Ross Walker (Thu Sep 28 2006 - 10:36:25 CDT)
- AMBER: Problem about installing amber9 on Mac OS X gtg549i_at_mail.gatech.edu (Thu Sep 28 2006 - 11:28:51 CDT)
- AMBER: parm*.dat Ivelin Georgiev (Thu Sep 28 2006 - 11:39:23 CDT)
- AMBER: running sander on several nodes Fenghui Fan (Thu Sep 28 2006 - 11:45:34 CDT)
- Re: AMBER: running sander on several nodes Fenghui Fan (Thu Sep 28 2006 - 12:21:26 CDT)
- RE: AMBER: running sander on several nodes Ross Walker (Thu Sep 28 2006 - 12:37:28 CDT)
- RE: AMBER: Problem about installing amber9 on Mac OS X Ross Walker (Thu Sep 28 2006 - 12:40:26 CDT)
- RE: AMBER: Problem about installing amber9 on Mac OS X gtg549i_at_mail.gatech.edu (Thu Sep 28 2006 - 13:32:18 CDT)
- AMBER: Machine File for Intel Core 2 Duo E6400 Osmar Norberto de Souza (Thu Sep 28 2006 - 13:47:06 CDT)
- RE: AMBER: Problem about installing amber9 on Mac OS X Ross Walker (Thu Sep 28 2006 - 13:52:30 CDT)
- RE: AMBER: Machine File for Intel Core 2 Duo E6400 Ross Walker (Thu Sep 28 2006 - 14:05:02 CDT)
- Re: AMBER: Machine File for Intel Core 2 Duo E6400 Osmar Norberto de Souza (Thu Sep 28 2006 - 14:22:15 CDT)
- AMBER: Parameterization of ethidium - phenyl ring sethl_at_gatech.edu (Thu Sep 28 2006 - 15:02:08 CDT)
- Re: AMBER: parm*.dat Jianhui (Thu Sep 28 2006 - 16:24:49 CDT)
- AMBER: WHAT IF CHeck after MD Fenghui Fan (Thu Sep 28 2006 - 17:06:04 CDT)
- Re: AMBER: WHAT IF CHeck after MD David Mobley (Thu Sep 28 2006 - 17:58:32 CDT)
- RE: AMBER: Questions/observations about Nudged Elastic Band (NEB) Pietro Amodeo (Fri Sep 29 2006 - 04:21:43 CDT)
- AMBER: problem to center solvateshell Bonnet, Pascal [PRDBE] (Fri Sep 29 2006 - 04:30:49 CDT)
- AMBER: Problem using antechamber Gustavo Seabra (Fri Sep 29 2006 - 11:19:12 CDT)
- AMBER: Electrostatic Energy Constant Ivelin Georgiev (Fri Sep 29 2006 - 12:50:03 CDT)
- Re: AMBER: Electrostatic Energy Constant Thomas Cheatham (Fri Sep 29 2006 - 13:19:00 CDT)
- RE: AMBER: Problem using antechamber Junmei Wang (Fri Sep 29 2006 - 13:17:37 CDT)
- Re: AMBER: Problem using antechamber Gustavo Seabra (Fri Sep 29 2006 - 14:06:34 CDT)
- Re: AMBER: Electrostatic Energy Constant Fenghui Fan (Fri Sep 29 2006 - 14:23:03 CDT)
- Re: AMBER: Electrostatic Energy Constant Thomas Cheatham (Fri Sep 29 2006 - 14:44:25 CDT)
- Re: AMBER: Electrostatic Energy Constant Carlos Simmerling (Fri Sep 29 2006 - 15:20:24 CDT)
- RE: AMBER: Problem about installing amber9 on Mac OS X Shuting Wei (Fri Sep 29 2006 - 16:08:42 CDT)
Last message date: Sat Dec 30 2006 - 07:20:23 CST
Archived on: Wed Feb 21 2007 - 22:44:16 CST
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