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AMBER Archive (2004) - Mar 2004 By Thread
Most recent messages354 messages sorted by: [ author ] [ date ] [ subject ]
About this archive
Starting: Mon Mar 01 2004 - 08:04:17 CST
Ending: Wed Mar 31 2004 - 19:37:50 CST
- AMBER: Jiten (Mon Mar 01 2004 - 08:04:17 CST)
- AMBER: GIBBS + vlimit exceeded Miguel de Federico (Mon Mar 01 2004 - 11:17:44 CST)
- AMBER: ptraj Carsten Detering (Mon Mar 01 2004 - 11:23:26 CST)
- Re: AMBER: Piotr Cieplak (Mon Mar 01 2004 - 11:38:49 CST)
- AMBER: production input file Ryan Ye (Mon Mar 01 2004 - 12:58:48 CST)
- AMBER: error in minimization atchara_at_mercury.hec.utah.edu (Tue Mar 02 2004 - 11:47:14 CST)
- AMBER: A question about RMSD calculation yonchen (Tue Mar 02 2004 - 13:05:13 CST)
- AMBER: How to use tleap convert *.pdb file to *.crd and *.top files yonchen (Tue Mar 02 2004 - 13:08:55 CST)
- Re: AMBER: A question about RMSD calculation Bill Ross (Tue Mar 02 2004 - 13:53:11 CST)
- AMBER: diffusion coefficient with external applied electric field Ioana Cozmuta (Tue Mar 02 2004 - 14:36:35 CST)
- AMBER: General Questions Sekwan Oh (Tue Mar 02 2004 - 18:07:08 CST)
- AMBER: HIV-RT Nevirapin Annette Höglund (Wed Mar 03 2004 - 09:37:40 CST)
- AMBER: torsion term Guanglei Cui (Wed Mar 03 2004 - 10:48:36 CST)
- AMBER: questions about mmpbsa xhu1_at_memphis.edu (Wed Mar 03 2004 - 13:48:12 CST)
- AMBER: pls forget my first question in my last email xhu1_at_memphis.edu (Wed Mar 03 2004 - 14:02:06 CST)
- Re: AMBER: compiling xleap on MAC OS X.3 Bill Ross (Wed Mar 03 2004 - 16:37:50 CST)
- AMBER: Use tleap convert *.pdb file to *.top and *.crd file yonchen (Wed Mar 03 2004 - 22:01:04 CST)
- AMBER: Question about RMSD calculation yonchen (Wed Mar 03 2004 - 22:25:01 CST)
- Re: AMBER: Question about RMSD calculation Carlos Simmerling (Wed Mar 03 2004 - 22:43:58 CST)
- AMBER: Leap atom removal bug? david.evans_at_ulsop.ac.uk (Thu Mar 04 2004 - 04:30:01 CST)
- Re: AMBER: Leap atom removal bug? david.evans_at_ulsop.ac.uk (Thu Mar 04 2004 - 05:30:00 CST)
- Re: AMBER: Leap atom removal bug? Bill Ross (Thu Mar 04 2004 - 07:06:44 CST)
- Re: AMBER: Leap atom removal bug? David A. Case (Thu Mar 04 2004 - 10:00:08 CST)
- Re: AMBER: Leap atom removal bug? Scott Brozell (Fri Mar 05 2004 - 20:34:16 CST)
- Re: AMBER: Use tleap convert *.pdb file to *.top and *.crd file Bill Ross (Thu Mar 04 2004 - 07:11:45 CST)
- AMBER: conversion of Amber 7 .pdb file to .bgf file Peter Oelschlaeger (Thu Mar 04 2004 - 16:31:43 CST)
- Re: AMBER: conversion of Amber 7 .pdb file to .bgf file David A. Case (Thu Mar 04 2004 - 16:59:21 CST)
- Re: AMBER: conversion of Amber 7 .pdb file to .bgf file Peter Oelschlaeger (Thu Mar 04 2004 - 20:00:34 CST)
- AMBER: recovering total force array Dave S Walker (Thu Mar 11 2004 - 20:20:57 CST)
- Re: AMBER: recovering total force array David A. Case (Fri Mar 12 2004 - 11:13:57 CST)
- Re: AMBER: recovering total force array Dave S Walker (Tue Mar 30 2004 - 19:51:41 CST)
- Re: AMBER: recovering total force array Carlos Simmerling (Tue Mar 30 2004 - 20:11:28 CST)
- Re: AMBER: recovering total force array Dave S Walker (Wed Mar 31 2004 - 15:29:13 CST)
- Re: AMBER: recovering total force array Carlos Simmerling (Wed Mar 31 2004 - 15:39:18 CST)
- Re: AMBER: conversion of Amber 7 .pdb file to .bgf file David A. Case (Thu Mar 04 2004 - 16:59:21 CST)
- AMBER: PKA calculation hj zou (Fri Mar 05 2004 - 00:34:21 CST)
- AMBER: positive binding free energy hj zou (Fri Mar 05 2004 - 00:53:18 CST)
- AMBER: MD at different pH !! Jiten (Fri Mar 05 2004 - 00:30:30 CST)
- Re: AMBER: MD at different pH !! David A. Case (Fri Mar 05 2004 - 10:23:27 CST)
- AMBER: Ewald calculation using PME for charged system Byungchan Kim (Fri Mar 05 2004 - 12:13:43 CST)
- AMBER: Ewald calculation using PME for charged system Byungchan Kim (Tue Mar 09 2004 - 15:04:31 CST)
- Re: AMBER: Ewald calculation using PME for charged system David A. Case (Tue Mar 09 2004 - 16:58:29 CST)
- Re: AMBER: Ewald calculation using PME for charged system Byungchan Kim (Tue Mar 09 2004 - 17:09:18 CST)
- Re: AMBER: Ewald calculation using PME for charged system Wayne Dawson (Tue Mar 09 2004 - 21:28:36 CST)
- Re: AMBER: Ewald calculation using PME for charged system David A. Case (Wed Mar 10 2004 - 02:11:54 CST)
- Re: AMBER: MD at different pH !! Xin Chen (Fri Mar 05 2004 - 14:04:46 CST)
- AMBER: Ewald calculation using PME for charged system Byungchan Kim (Fri Mar 05 2004 - 12:13:43 CST)
- Re: AMBER: MD at different pH !! Do Anh Tuan (Fri Mar 05 2004 - 15:11:25 CST)
- Re: AMBER: MD at different pH !! Bimo Ario Tejo (Fri Mar 05 2004 - 20:43:36 CST)
- Re: AMBER: MD at different pH !! Do Anh Tuan (Fri Mar 05 2004 - 22:20:04 CST)
- Re: AMBER: MD at different pH !! Bimo Ario Tejo (Fri Mar 05 2004 - 22:58:39 CST)
- Re: AMBER: MD at different pH !! Jiten (Sat Mar 06 2004 - 01:37:27 CST)
- Re: AMBER: MD at different pH !! Bimo Ario Tejo (Sat Mar 06 2004 - 06:18:15 CST)
- Re: AMBER: MD at different pH !! Bimo Ario Tejo (Fri Mar 05 2004 - 20:43:36 CST)
- Re: AMBER: MD at different pH !! David A. Case (Fri Mar 05 2004 - 10:23:27 CST)
- AMBER: AMBER7 sander compiled on SGI R10000 fails to complete test suite james.m.woolven_at_gsk.com (Fri Mar 05 2004 - 06:40:31 CST)
- AMBER: Sander problem with different CPU yuann (Fri Mar 05 2004 - 06:29:49 CST)
- AMBER: Unbinding with different pH Volodymyr Nechiporuk-Zloy (Fri Mar 05 2004 - 08:10:23 CST)
- AMBER: A Question about RESP ::©¾¸Û:: (Sat Mar 06 2004 - 06:39:22 CST)
- Re: AMBER: A Question about RESP Bimo Ario Tejo (Sat Mar 06 2004 - 07:31:51 CST)
- Re: AMBER: A Question about RESP Ming-Hsun Ho (Sat Mar 06 2004 - 07:58:44 CST)
- Re: AMBER: A Question about RESP Ming-Hsun Ho (Sat Mar 06 2004 - 09:28:25 CST)
- Re: AMBER: A Question about RESP Jiten (Sat Mar 06 2004 - 20:54:52 CST)
- RE: AMBER: A Question about RESP William Wei (Mon Mar 15 2004 - 09:23:57 CST)
- AMBER: understanding SANDER source code myang (Sat Mar 20 2004 - 09:33:33 CST)
- Re: AMBER: understanding SANDER source code Scott Brozell (Sun Mar 21 2004 - 13:47:40 CST)
- RE: AMBER: understanding SANDER source code Yong Duan (Sun Mar 21 2004 - 20:32:03 CST)
- Re: AMBER: understanding SANDER source code Andreas Svrcek-Seiler (Mon Mar 22 2004 - 06:15:42 CST)
- Re: AMBER: understanding SANDER source code David E. Konerding (Mon Mar 22 2004 - 10:15:49 CST)
- Re: AMBER: A Question about RESP Jiten (Sat Mar 06 2004 - 20:54:52 CST)
- Re: AMBER: A Question about RESP Ming-Hsun Ho (Sat Mar 06 2004 - 09:58:38 CST)
- Re: AMBER: A Question about RESP Ming-Hsun Ho (Sun Mar 07 2004 - 00:15:16 CST)
- AMBER: pka questions hj zou (Sat Mar 06 2004 - 21:22:54 CST)
- AMBER: antechamber prepin Guanglei Cui (Sun Mar 07 2004 - 13:03:22 CST)
- AMBER: factor used in b-factor calculation Fabian Boes (Tue Mar 09 2004 - 02:12:11 CST)
- AMBER: a problem about alanine scan of proline luocheng (Tue Mar 09 2004 - 03:00:27 CST)
- AMBER: Amber on RedHat 3.0 madeleine.richard_at_bull.net (Tue Mar 09 2004 - 03:39:47 CST)
- AMBER: MD simulation of a DNA decamer Thomas Steinbrecher (Tue Mar 09 2004 - 04:10:15 CST)
- AMBER: what's the meaning of parameter NRUN scopio (Tue Mar 09 2004 - 07:40:51 CST)
- AMBER: NMR restraint in sander Lishan Yao (Tue Mar 09 2004 - 08:19:30 CST)
- AMBER: Residue question opitz_at_che.udel.edu (Tue Mar 09 2004 - 10:29:22 CST)
- AMBER: mol2 vs. prepin opitz_at_che.udel.edu (Tue Mar 09 2004 - 10:53:46 CST)
- AMBER: sander + child process died Carsten Detering (Tue Mar 09 2004 - 20:18:21 CST)
- AMBER: positive binding free energy hj zou (Wed Mar 10 2004 - 00:43:58 CST)
- AMBER: Some questions in building a new residue Chung-Chien Wei (Wed Mar 10 2004 - 11:16:37 CST)
- AMBER: residue insertion Yunfeng Hu (Wed Mar 10 2004 - 18:24:52 CST)
- AMBER: positive binding free energy hj zou (Thu Mar 11 2004 - 07:59:09 CST)
- AMBER: PMEMD COMPILATION REDHAT Obdulia Rabal (Thu Mar 11 2004 - 12:36:45 CST)
- AMBER: Atomic Charge in Residue opitz_at_che.udel.edu (Thu Mar 11 2004 - 13:29:21 CST)
- AMBER: compiling on SGI Beale, John (Thu Mar 11 2004 - 15:26:22 CST)
- AMBER: Resizing sizes.h and recompiling problem! Marco Aurelio Correia Preto (Sat Mar 13 2004 - 08:38:56 CST)
- AMBER: Anal module on PDBs Sanjeev B.S. (Sat Mar 13 2004 - 09:35:31 CST)
- Re: AMBER: Anal module on PDBs Bill Ross (Sat Mar 13 2004 - 18:17:25 CST)
- AMBER: xleap couldn't display any word scopio (Sun Mar 14 2004 - 20:45:42 CST)
- Re: AMBER: xleap couldn't display any word John Bushnell (Mon Mar 15 2004 - 13:46:50 CST)
- Re: AMBER: xleap couldn't display any word scopio (Mon Mar 15 2004 - 19:44:47 CST)
- AMBER: About RESP Calculation Ilyas Yildirim (Fri Mar 19 2004 - 01:20:16 CST)
- Re: AMBER: About RESP Calculation David A. Case (Fri Mar 19 2004 - 10:14:29 CST)
- Re: AMBER: About RESP Calculation Ilyas Yildirim (Fri Mar 19 2004 - 13:50:13 CST)
- Re: AMBER: About RESP Calculation FyD (Fri Mar 19 2004 - 14:10:19 CST)
- Re: AMBER: About RESP Calculation David A. Case (Fri Mar 19 2004 - 14:15:39 CST)
- Re: AMBER: About RESP Calculation FyD (Fri Mar 19 2004 - 14:30:00 CST)
- Re: AMBER: About RESP Calculation Qing Zhang (Sat Mar 20 2004 - 00:43:03 CST)
- Re: AMBER: About RESP Calculation FyD (Sun Mar 21 2004 - 01:30:41 CST)
- Re: AMBER: About RESP Calculation FyD (Fri Mar 19 2004 - 11:45:22 CST)
- Re: AMBER: xleap couldn't display any word scopio (Mon Mar 15 2004 - 19:44:47 CST)
- Re: AMBER: xleap couldn't display any word John Bushnell (Mon Mar 15 2004 - 13:46:50 CST)
- AMBER: Release announcement for Amber 8 David A. Case (Mon Mar 15 2004 - 00:39:25 CST)
- AMBER: new wed site for amber tutorials Juan Fernandez-Carmona (Mon Mar 15 2004 - 02:57:29 CST)
- AMBER: How to convert charmm parameters to amber scopio (Mon Mar 15 2004 - 03:55:11 CST)
- AMBER: [Fwd: No timings from jac test on opteron quad] Arvid Soderhall (Mon Mar 15 2004 - 07:28:02 CST)
- AMBER: antechamber/mopac question opitz_at_che.udel.edu (Mon Mar 15 2004 - 14:20:24 CST)
- AMBER: rdparm/ptraj writeparm david.evans_at_ulsop.ac.uk (Tue Mar 16 2004 - 02:57:16 CST)
- AMBER: re:can i get help from you? hj zou (Tue Mar 16 2004 - 07:53:48 CST)
- AMBER: literature question/residue charges opitz_at_che.udel.edu (Tue Mar 16 2004 - 14:09:43 CST)
- Re: AMBER: trajectory file Bill Ross (Tue Mar 16 2004 - 14:54:10 CST)
- Re: AMBER: literature question/residue charges Piotr Cieplak (Tue Mar 16 2004 - 16:07:21 CST)
- AMBER: How to use these parameters? scopio (Tue Mar 16 2004 - 19:15:15 CST)
- AMBER: description of toplogy file format? Oliver Hucke (Tue Mar 16 2004 - 19:44:10 CST)
- AMBER: segmentation fault with sander Carsten Detering (Tue Mar 16 2004 - 20:29:55 CST)
- AMBER: MD problem. Osman Gani (Wed Mar 17 2004 - 05:07:47 CST)
- AMBER: amber98 with amberffc+INSIGHT II a b (Wed Mar 17 2004 - 08:28:58 CST)
- AMBER: protein-protein interaction Oscar Rey i Puiggròs (Wed Mar 17 2004 - 08:50:06 CST)
- AMBER: Preparing complex in Xleap for Amber calculations warka_at_il.waw.pl (Wed Mar 17 2004 - 10:02:38 CST)
- AMBER: using LJ 10-12 non bonded potential for glycoproteins in Amber8 Tom Turner (Wed Mar 17 2004 - 12:49:18 CST)
- AMBER: segmentation fault Hailong Lin (Thu Mar 18 2004 - 06:48:24 CST)
- AMBER: segmentation fault when convert pdb to mol2 Ye Mei (Thu Mar 18 2004 - 07:02:44 CST)
- Re: AMBER: segmentation fault Bill Ross (Thu Mar 18 2004 - 12:22:24 CST)
- AMBER: alignment problem using carnal xhu1_at_memphis.edu (Thu Mar 18 2004 - 13:48:55 CST)
- AMBER: About RESP Calculation Chris Moth (Fri Mar 19 2004 - 15:38:40 CST)
- AMBER: EWALD BOMB? Ryan Ye (Sat Mar 20 2004 - 13:28:01 CST)
- AMBER: langevin dynamics Wei Fu (Sun Mar 21 2004 - 21:22:27 CST)
- AMBER: Compilation problem in SUN OS 5.7! Pradipta Bandyopadhyay (Mon Mar 22 2004 - 02:48:59 CST)
- AMBER: Assignment of parameters, missing parameters Julien Michel (Mon Mar 22 2004 - 09:47:15 CST)
- AMBER: gibbs dynamic memory error jwfang (Mon Mar 22 2004 - 10:43:46 CST)
- AMBER: Re: About RESP Calculation FyD (Mon Mar 22 2004 - 11:09:00 CST)
- AMBER: SANDER general questions. Osman Gani (Mon Mar 22 2004 - 11:37:18 CST)
- AMBER: [Fwd: KLAMBDA in amber7] Ahammadunny Pathiaseril (Mon Mar 22 2004 - 12:44:11 CST)
- AMBER: downloading antechamber astrid.maass (Tue Mar 23 2004 - 01:53:56 CST)
- AMBER: M7G parameters Vlad Cojocaru (Tue Mar 23 2004 - 06:43:55 CST)
- AMBER: Residue Charges opitz_at_che.udel.edu (Tue Mar 23 2004 - 09:17:38 CST)
- AMBER: About glycam2004 Javier Perez Miron (Wed Mar 17 2004 - 21:02:47 CST)
- AMBER: gibbs error Fang, Jianwen (Tue Mar 23 2004 - 10:27:22 CST)
- AMBER: How to make leap recognise inosine? arvind_at_mbu.iisc.ernet.in (Tue Mar 23 2004 - 11:33:40 CST)
- Re: AMBER: How to make leap recognise inosine? Bill Ross (Tue Mar 23 2004 - 11:57:27 CST)
- AMBER: residence time Ioana Cozmuta (Tue Mar 23 2004 - 21:51:10 CST)
- AMBER: fluorine in mmpbsa ferranna_at_unimore.it (Wed Mar 24 2004 - 03:49:27 CST)
- AMBER: Amber: Equilibrated DMSO solvent box Marco Aurelio Correia Preto (Wed Mar 24 2004 - 05:32:31 CST)
- AMBER: non-isotropic pressure scaling Lubos Vrbka (Wed Mar 24 2004 - 06:38:08 CST)
- AMBER: Cadmium Beale, John (Wed Mar 24 2004 - 07:10:36 CST)
- AMBER: make sure of the Magnesium parameters sychen (Wed Mar 24 2004 - 12:15:25 CST)
- Re: AMBER: make sure of the Magnesium parameters Rhonda Torres (Wed Mar 24 2004 - 12:53:55 CST)
- AMBER: INtel Fortran 90 compiler Carsten Detering (Wed Mar 24 2004 - 13:03:17 CST)
- Re: AMBER: INtel Fortran 90 compiler Robert Duke (Wed Mar 24 2004 - 14:36:35 CST)
- Re: AMBER: INtel Fortran 90 compiler Scott Brozell (Wed Mar 24 2004 - 15:37:37 CST)
- Re: AMBER: INtel Fortran 90 compiler Robert Duke (Wed Mar 24 2004 - 16:01:54 CST)
- Re: AMBER: INtel Fortran 90 compiler Robert Duke (Wed Mar 24 2004 - 16:54:01 CST)
- Re: AMBER: INtel Fortran 90 compiler Bill Ross (Wed Mar 24 2004 - 15:41:30 CST)
- AMBER: INtel Fortran 90 compiler Carsten Detering (Wed Mar 24 2004 - 13:03:17 CST)
- Re: AMBER: make sure of the Magnesium parameters Rhonda Torres (Wed Mar 24 2004 - 12:53:55 CST)
- AMBER: vlimit and vmax problem Venkata S Koppuravuri (Wed Mar 24 2004 - 12:25:31 CST)
- AMBER: Glycam04 Karl N. Kirschner (Wed Mar 24 2004 - 13:37:56 CST)
- PMEMD and myrinet trouble Chris Moth (Wed Mar 24 2004 - 15:25:57 CST)
- AMBER: antechamber download files should now be available David A. Case (Wed Mar 24 2004 - 17:05:19 CST)
- AMBER: RE: Amber: Equilibrated DMSO solvent box Marco Aurelio Correia Preto (Thu Mar 25 2004 - 03:26:41 CST)
- AMBER: MM_PBSA GB parameters david.evans_at_ulsop.ac.uk (Thu Mar 25 2004 - 04:54:59 CST)
- AMBER: phosphorylated serin / histidin Nadine Homeyer (Thu Mar 25 2004 - 07:04:38 CST)
- AMBER: FW: Problems with antechamber innstallation Osman Gani (Thu Mar 25 2004 - 09:12:20 CST)
- AMBER: Antechamber MOPAC Beale, John (Thu Mar 25 2004 - 09:24:56 CST)
- AMBER: hbond analysis in ptraj(%occupied>1) Lishan Yao (Thu Mar 25 2004 - 09:19:01 CST)
- AMBER: undefined loops and protonate Stern, Julie (Thu Mar 25 2004 - 11:52:41 CST)
- AMBER: eedmeth atchara_at_mercury.hec.utah.edu (Thu Mar 25 2004 - 12:53:23 CST)
- AMBER: Error while protonating a PDB file Mike (Thu Mar 25 2004 - 17:47:54 CST)
- AMBER: Pang-model of Zn2+ Oliver Hucke (Thu Mar 25 2004 - 19:04:48 CST)
- AMBER: Pang Zn2+ model - correction Oliver Hucke (Thu Mar 25 2004 - 19:32:30 CST)
- AMBER: a question about anal Xiao He (Thu Mar 25 2004 - 21:06:10 CST)
- AMBER: nmanal - segmentation fault Sivakolundu, Sivashankar (Fri Mar 26 2004 - 00:11:16 CST)
- AMBER: tleap error and warnings Mike (Fri Mar 26 2004 - 01:06:38 CST)
- AMBER: How to compile antechamber? scopio (Fri Mar 26 2004 - 01:17:54 CST)
- AMBER: Problem solved Xiao He (Fri Mar 26 2004 - 09:35:01 CST)
- AMBER: Xiaowei Li (Fri Mar 26 2004 - 14:21:08 CST)
- Re: Fwd: Re: AMBER: Pang-model of Zn2+ Oliver Hucke (Fri Mar 26 2004 - 15:29:24 CST)
- AMBER: questions for PNA parameters Suwipa saen-oon (Fri Mar 26 2004 - 21:36:56 CST)
- AMBER: erreo in sander Anshul Awasthi (Sat Mar 27 2004 - 07:15:54 CST)
- AMBER: solvation energy hj zou (Sun Mar 28 2004 - 11:36:31 CST)
- AMBER: fix two groups Helios Chen (Sun Mar 28 2004 - 21:07:07 CST)
- AMBER: pmemd machinefiles Lubos Vrbka (Mon Mar 29 2004 - 04:38:13 CST)
- AMBER: radial distribution franck (Mon Mar 29 2004 - 07:20:48 CST)
- Re: AMBER: HBOND calculation Bill Ross (Mon Mar 29 2004 - 12:24:59 CST)
- AMBER: segmentation fault of minimization scopio (Mon Mar 29 2004 - 20:57:39 CST)
- AMBER: gaff: hydrogen atom types astrid.maass (Tue Mar 30 2004 - 01:37:58 CST)
- AMBER: segmentation fault when running parmchk Ye Mei (Tue Mar 30 2004 - 03:52:14 CST)
- AMBER: Bad atom symbol, K+ and IB in vacuum Skauge Tormod (Tue Mar 30 2004 - 06:50:42 CST)
- AMBER: solvation energy hj zou (Tue Mar 30 2004 - 06:55:20 CST)
- AMBER: pmemd speedup and interactions Lubos Vrbka (Wed Mar 31 2004 - 03:27:21 CST)
- AMBER: pmemd speedup and interactions Lubos Vrbka (Wed Mar 31 2004 - 03:55:14 CST)
- AMBER: Pasrameters for MAI Anshul Awasthi (Wed Mar 31 2004 - 15:46:18 CST)
- AMBER: test output of amber8 Oliver Hucke (Wed Mar 31 2004 - 17:54:38 CST)
- AMBER: about glycam 04 Javier Perez Miron (Mon Mar 29 2004 - 11:40:18 CST)
Last message date: Thu May 05 2005 - 14:26:38 CDT
Archived on: Thu May 05 2005 - 14:29:59 CDT
354 messages sorted by: [ author ] [ date ] [ subject ]
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