AMBER Archive (2004) - Nov 2004 By Date

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Starting: Mon Nov 01 2004 - 14:03:25 CST
Ending: Tue Nov 30 2004 - 19:58:59 CST

Re: AMBER: Settings about frozen atoms in sander Oliver Hucke (Mon Nov 29 2004 - 10:54:10 CST)
AMBER: Amber7 installation error on Solaris 9 Joe Nolan (Mon Nov 01 2004 - 14:03:25 CST)
Re: AMBER: Amber7 installation error on Solaris 9 David A. Case (Mon Nov 01 2004 - 15:11:24 CST)
AMBER: MD & folding bybaker_at_itsa.ucsf.edu (Tue Nov 02 2004 - 01:03:42 CST)
Re: AMBER: MD & folding Bimo Ario Tejo (Tue Nov 02 2004 - 01:26:09 CST)
AMBER: about FEP Xiao He (Tue Nov 02 2004 - 02:29:43 CST)
AMBER: ESP fitting from Gaussian03 cube files Ye Mei (Tue Nov 02 2004 - 03:01:40 CST)
Re: AMBER: about FEP Annette Ho (Tue Nov 02 2004 - 04:44:03 CST)
Re: AMBER: about FEP david.evans_at_ulsop.ac.uk (Tue Nov 02 2004 - 05:28:44 CST)
Re: AMBER: about FEP Annette Höglund (Tue Nov 02 2004 - 05:58:27 CST)
Re: AMBER: about FEP david.evans_at_ulsop.ac.uk (Tue Nov 02 2004 - 06:42:25 CST)
Re: AMBER: about FEP David A. Case (Tue Nov 02 2004 - 10:19:27 CST)
Re: AMBER: about FEP Ray Luo (Tue Nov 02 2004 - 08:05:41 CST)
AMBER: MD & folding bybaker_at_itsa.ucsf.edu (Tue Nov 02 2004 - 15:31:31 CST)
Re: AMBER: MD & folding Carlos Simmerling (Tue Nov 02 2004 - 17:03:41 CST)
AMBER: MD & folding bybaker_at_itsa.ucsf.edu (Tue Nov 02 2004 - 18:05:00 CST)
AMBER: Clustering in PTRAJ Stephen.Titmuss_at_csiro.au (Tue Nov 02 2004 - 19:38:31 CST)
Re: Re: AMBER: about FEP Xiao He (Tue Nov 02 2004 - 21:18:22 CST)
AMBER: SANDER BOMB in subroutine nonbond_list Marc Perea (Tue Nov 02 2004 - 06:45:34 CST)
AMBER: basis set Yanze Zhang (Tue Nov 02 2004 - 23:57:19 CST)
: AMBER: basis set ying xiong (Wed Nov 03 2004 - 00:43:52 CST)
AMBER: ESPGEN problems to read G03 output files Hernán Alonso (Wed Nov 03 2004 - 01:03:12 CST)
Re: Re: AMBER: about FEP Thomas Steinbrecher (Wed Nov 03 2004 - 02:07:51 CST)
Re: AMBER: ESPGEN problems to read G03 output files Jiten (Wed Nov 03 2004 - 02:33:04 CST)
AMBER: FEP and charges Annette Höglund (Wed Nov 03 2004 - 05:59:16 CST)
Re: AMBER: SANDER BOMB in subroutine nonbond_list David A. Case (Wed Nov 03 2004 - 12:05:15 CST)
AMBER: Extracting torsional angles for specific conformation Darian, Eva (Wed Nov 03 2004 - 12:12:33 CST)
AMBER: gaff parameter ambiguities Anthony Fejes (Wed Nov 03 2004 - 17:16:07 CST)
AMBER: MD simulation at pH=1 Kijeong Kwac (Wed Nov 03 2004 - 22:20:01 CST)
AMBER: Fluctuation in temperature anshul_at_imtech.res.in (Thu Nov 04 2004 - 16:09:58 CST)
AMBER: H-bonded waters selection pl (Thu Nov 04 2004 - 06:41:32 CST)
Re: AMBER: Fluctuation in temperature Oliver Hucke (Thu Nov 04 2004 - 12:14:36 CST)
AMBER: gaussian command line Yanze Zhang (Thu Nov 04 2004 - 13:40:27 CST)
RE: AMBER: Fluctuation in temperature Ross Walker (Thu Nov 04 2004 - 14:05:57 CST)
AMBER: Kara Wald (Thu Nov 04 2004 - 15:05:42 CST)
AMBER: Re: Antechamber Kara Wald (Thu Nov 04 2004 - 15:13:28 CST)
RE: AMBER: Re: Antechamber Ross Walker (Thu Nov 04 2004 - 15:31:48 CST)
Re: AMBER: FEP and charges Chunhu Tan (Thu Nov 04 2004 - 16:23:16 CST)
AMBER: ptraj problem Abd Ghani Abd Aziz (Thu Nov 04 2004 - 19:53:39 CST)
Re: AMBER: ptraj problem Thomas E. Cheatham, III (Thu Nov 04 2004 - 20:13:51 CST)
Re: AMBER: ptraj problem Abd Ghani Abd Aziz (Thu Nov 04 2004 - 20:39:37 CST)
AMBER: constructing a small colecule mathew k varghese (Thu Nov 04 2004 - 22:41:58 CST)
Re: AMBER: H-bonded waters selection Thomas E. Cheatham, III (Thu Nov 04 2004 - 23:05:24 CST)
AMBER: translational and rotational entropy hj zou (Fri Nov 05 2004 - 00:48:22 CST)
Re: AMBER: translational and rotational entropy Andreas Svrcek-Seiler (Fri Nov 05 2004 - 01:43:00 CST)
Re: AMBER: constructing a small colecule david.evans_at_ulsop.ac.uk (Fri Nov 05 2004 - 03:53:07 CST)
Re: AMBER: H-bonded waters selection pl (Fri Nov 05 2004 - 04:42:01 CST)
AMBER: end point contribution in MCTI Cai, Yufeng (Fri Nov 05 2004 - 08:12:11 CST)
AMBER: Amber7 compilation error Joe Nolan (Fri Nov 05 2004 - 09:17:39 CST)
AMBER: Problems using mm_pbsa.perl Daniel Wetzler (Fri Nov 05 2004 - 10:28:15 CST)
Re: AMBER: end point contribution in MCTI David A. Case (Fri Nov 05 2004 - 10:36:31 CST)
Re: AMBER: Problems using mm_pbsa.perl Holger Gohlke (Fri Nov 05 2004 - 10:41:39 CST)
Re: AMBER: Amber7 compilation error David A. Case (Fri Nov 05 2004 - 10:50:01 CST)
AMBER: ptraj radial Sandro Fornili (Fri Nov 05 2004 - 10:28:57 CST)
AMBER: Minimization failure: 1cbn Harianto (Fri Nov 05 2004 - 11:16:30 CST)
AMBER: Solvent exposure measurement Yuqin Cai (Fri Nov 05 2004 - 13:32:22 CST)
Re: AMBER: basis set FyD (Fri Nov 05 2004 - 13:55:06 CST)
Re: AMBER: ESPGEN problems to read G03 output files FyD (Fri Nov 05 2004 - 13:56:52 CST)
Re: AMBER: gaussian command line FyD (Fri Nov 05 2004 - 14:02:45 CST)
Re: AMBER: Minimization failure: 1cbn Bimo Ario Tejo (Fri Nov 05 2004 - 16:12:03 CST)
Re: AMBER: Minimization failure: 1cbn Bill Ross (Fri Nov 05 2004 - 16:32:41 CST)
AMBER: where is the VDW radius? Cai, Yufeng (Sat Nov 06 2004 - 09:42:29 CST)
Re: AMBER: where is the VDW radius? Oliver Hucke (Sat Nov 06 2004 - 13:16:00 CST)
AMBER: positive VDWAALS John (Sun Nov 07 2004 - 12:11:13 CST)
Re: AMBER: positive VDWAALS Michael Crowley (Sun Nov 07 2004 - 15:51:26 CST)
AMBER: mm_PBSA: problems calculating molecular surface for some snapshots Magne Olufsen (Mon Nov 08 2004 - 03:50:39 CST)
AMBER: time-averaged restraints John (Mon Nov 08 2004 - 14:21:51 CST)
Re: AMBER: Re: Antechamber Kara Wald (Mon Nov 08 2004 - 15:49:13 CST)
AMBER: amber 7 nmode on osx Knut Langsetmo (Mon Nov 08 2004 - 17:26:26 CST)
AMBER: salt bridge detection Ye Mei (Mon Nov 08 2004 - 20:33:21 CST)
AMBER: error message about the input file of sander Ru-Zhen Li (Mon Nov 08 2004 - 20:23:23 CST)
Re: AMBER: error message about the input file of sander Michael Crowley (Tue Nov 09 2004 - 00:48:03 CST)
Re: AMBER: error message about the input file of sander Ru-Zhen Li (Tue Nov 09 2004 - 06:20:40 CST)
Re: AMBER: error message about the input file of sander Ru-Zhen Li (Tue Nov 09 2004 - 06:49:26 CST)
AMBER: Problem with Water solute during MD Daniel Wetzler (Tue Nov 09 2004 - 07:20:13 CST)
Re: AMBER: Problem with Water solute during MD David A. Case (Tue Nov 09 2004 - 10:06:31 CST)
AMBER: Leap Greg Kellogg (Tue Nov 09 2004 - 10:24:43 CST)
Re: AMBER: Leap David A. Case (Tue Nov 09 2004 - 11:00:38 CST)
Re: AMBER: Problem with Water solute during MD Bill Ross (Tue Nov 09 2004 - 11:36:22 CST)
RE: AMBER: error message about the input file of sander Ross Walker (Tue Nov 09 2004 - 11:44:31 CST)
Re: AMBER: error message about the input file of sander Ru-Zhen Li (Tue Nov 09 2004 - 14:33:57 CST)
AMBER: IBELLY Harianto (Tue Nov 09 2004 - 14:40:58 CST)
AMBER: Solaris f77 Machine file for Amber7? Joe Nolan (Tue Nov 09 2004 - 16:13:58 CST)
AMBER: single strand simulation ding (Tue Nov 09 2004 - 18:12:17 CST)
Re: AMBER: single strand simulation Thomas E. Cheatham, III (Tue Nov 09 2004 - 18:32:58 CST)
Re: AMBER: Solaris f77 Machine file for Amber7? David A. Case (Tue Nov 09 2004 - 18:57:24 CST)
AMBER: Building the parallel version in AMBER 8 and GIBBS Ilyas Yildirim (Tue Nov 09 2004 - 21:03:54 CST)
Re: AMBER: Building the parallel version in AMBER 8 and GIBBS David A. Case (Tue Nov 09 2004 - 23:07:05 CST)
Re: AMBER: Problem with Water solute during MD Daniel Wetzler (Wed Nov 10 2004 - 04:19:11 CST)
Re: AMBER: Problem with Water solute during MD Bill Ross (Wed Nov 10 2004 - 09:20:23 CST)
Re: AMBER: Problem with Water solute during MD David A. Case (Wed Nov 10 2004 - 09:42:50 CST)
AMBER: AMBER Parameter Database Yanze Zhang (Wed Nov 10 2004 - 09:35:32 CST)
Re: AMBER: Solaris f77 Machine file for Amber7? Joe Nolan (Wed Nov 10 2004 - 10:45:50 CST)
Re: AMBER: Solaris f77 Machine file for Amber7? David A. Case (Wed Nov 10 2004 - 11:07:13 CST)
AMBER: parameter set Yanze Zhang (Wed Nov 10 2004 - 13:56:54 CST)
Re: AMBER: parameter set David A. Case (Wed Nov 10 2004 - 14:10:40 CST)
Re: AMBER: parameter set Bill Ross (Wed Nov 10 2004 - 14:17:25 CST)
Re: AMBER: Solaris f77 Machine file for Amber7? Joe Nolan (Wed Nov 10 2004 - 15:11:44 CST)
AMBER: About the parameter names Ilyas Yildirim (Wed Nov 10 2004 - 15:20:31 CST)
Re: AMBER: About the parameter names David A. Case (Wed Nov 10 2004 - 15:50:58 CST)
Re: AMBER: Solaris f77 Machine file for Amber7? David A. Case (Wed Nov 10 2004 - 15:49:47 CST)
AMBER: Can parallel simulation have a nonperiodic boundary condition? qlu_at_notes.cc.sunysb.edu (Wed Nov 10 2004 - 16:11:46 CST)
Re: AMBER: Solaris f77 Machine file for Amber7? Joe Nolan (Wed Nov 10 2004 - 16:43:54 CST)
Re: AMBER: Solaris f77 Machine file for Amber7? David A. Case (Wed Nov 10 2004 - 18:15:32 CST)
RE: AMBER: Can parallel simulation have a nonperiodic boundary condition? Ross Walker (Wed Nov 10 2004 - 18:26:27 CST)
Re: AMBER: Solaris f77 Machine file for Amber7? Joe Nolan (Thu Nov 11 2004 - 12:50:06 CST)
AMBER: ptraj MURAT CETINKAYA (Thu Nov 11 2004 - 15:19:45 CST)
Re: AMBER: Solaris f77 Machine file for Amber7? Joe Nolan (Thu Nov 11 2004 - 16:00:33 CST)
AMBER: Solvation free energy of a charged molecule. Chunhu Tan (Thu Nov 11 2004 - 19:53:58 CST)
AMBER: glibc version Ye Mei (Fri Nov 12 2004 - 00:04:00 CST)
Re: AMBER: Solvation free energy of a charged molecule. David A. Case (Fri Nov 12 2004 - 10:11:15 CST)
AMBER: AMBER 4 Manual? Ru-Zhen Li (Fri Nov 12 2004 - 11:02:16 CST)
AMBER: Energy change for isomerization reaction of cyclic peptide nlxc (Fri Nov 12 2004 - 12:03:00 CST)
Re: AMBER: Solvation free energy of a charged molecule. Chunhu Tan (Fri Nov 12 2004 - 12:43:32 CST)
AMBER: a quick question about carnal Haijun Yang (Fri Nov 12 2004 - 14:51:17 CST)
AMBER: the energy difference between sander and nmode xiaowei li (Fri Nov 12 2004 - 15:52:57 CST)
Re: AMBER: a quick question about carnal Bill Ross (Fri Nov 12 2004 - 15:53:41 CST)
Re: AMBER: Energy change for isomerization reaction of cyclic peptide David A. Case (Fri Nov 12 2004 - 16:02:10 CST)
Re: AMBER: AMBER 4 Manual? David A. Case (Fri Nov 12 2004 - 16:10:42 CST)
Re: AMBER: glibc version David A. Case (Fri Nov 12 2004 - 16:17:53 CST)
Re: AMBER: the energy difference between sander and nmode David A. Case (Fri Nov 12 2004 - 16:43:28 CST)
AMBER: xleap problems Kepa Koldo Burusco Goñi (Fri Nov 12 2004 - 13:33:42 CST)
Re: AMBER: xleap problems Ilyas Yildirim (Fri Nov 12 2004 - 17:58:21 CST)
Re: AMBER: xleap problems Mark Williamson (Fri Nov 12 2004 - 17:58:05 CST)
AMBER: Parameters for new residue? Satpal Virdee (Sat Nov 13 2004 - 13:34:27 CST)
Re: AMBER: Parameters for new residue? David A. Case (Sat Nov 13 2004 - 19:30:39 CST)
AMBER: convert .pdb to .mol2 bybaker_at_itsa.ucsf.edu (Sat Nov 13 2004 - 22:35:45 CST)
Re: AMBER: convert .pdb to .mol2 Ye Mei (Sat Nov 13 2004 - 22:57:32 CST)
AMBER: Babel bybaker_at_itsa.ucsf.edu (Sun Nov 14 2004 - 01:29:40 CST)
Re: AMBER: Babel Carlos Simmerling (Sun Nov 14 2004 - 08:02:17 CST)
AMBER: nmode:Number of atoms in -p and -c files do not agree! myang_at_vitamin.uni.cc (Sun Nov 14 2004 - 20:20:25 CST)
AMBER: restraintmask problem in ptraj Takanori TANAKA (Mon Nov 15 2004 - 05:06:23 CST)
Re: AMBER: restraintmask problem in ptraj Viktor Hornak (Mon Nov 15 2004 - 07:37:24 CST)
Re: AMBER: nmode:Number of atoms in -p and -c files do not agree! David A. Case (Mon Nov 15 2004 - 10:10:43 CST)
Re: AMBER: a quick question about carnal Haijun Yang (Mon Nov 15 2004 - 11:31:53 CST)
AMBER: gibbs compilation error Nelson Fonseca (Mon Nov 15 2004 - 11:41:27 CST)
Re: AMBER: gibbs compilation error David A. Case (Mon Nov 15 2004 - 12:18:12 CST)
AMBER: AMBER8 parallel job Emmanuel Giudice (Mon Nov 15 2004 - 01:39:50 CST)
Re: AMBER: nmode:Number of atoms in -p and -c files do not agree! myang_at_vitamin.uni.cc (Mon Nov 15 2004 - 13:58:58 CST)
AMBER: Re: Amber Re: Antechamber problems Kara Wald (Mon Nov 15 2004 - 15:05:19 CST)
Re: AMBER: nmode:Number of atoms in -p and -c files do not agree! David A. Case (Mon Nov 15 2004 - 15:43:15 CST)
AMBER: Can xleap to handle homology model altogether X-ray structure? Jack Lei (Mon Nov 15 2004 - 16:39:55 CST)
AMBER: ifort 8.0 Ilyas Yildirim (Mon Nov 15 2004 - 16:41:28 CST)
Re: AMBER: ifort 8.0 Jack Lei (Mon Nov 15 2004 - 16:46:01 CST)
Re: AMBER: Babel FyD (Mon Nov 15 2004 - 17:07:11 CST)
AMBER: Can xleap handle homology model altogether with X-ray structure? Jack Lei (Mon Nov 15 2004 - 17:08:44 CST)
AMBER: AMBER8 compiling error under Itanium 2. qlu_at_notes.cc.sunysb.edu (Mon Nov 15 2004 - 18:39:36 CST)
Re: AMBER: nmode:Number of atoms in -p and -c files do not agree! myang_at_vitamin.uni.cc (Mon Nov 15 2004 - 19:26:17 CST)
Re: AMBER: AMBER8 compiling error under Itanium 2. Ye Mei (Mon Nov 15 2004 - 19:46:52 CST)
AMBER: constant pH simulations reference Sergio E. Wong (Mon Nov 15 2004 - 19:50:16 CST)
Re: AMBER: constant pH simulations reference David A. Case (Mon Nov 15 2004 - 20:23:42 CST)
AMBER: ambpdb segmentation fault justin litchfield (Mon Nov 15 2004 - 20:57:14 CST)
FWD: RE: AMBER: xleap problems Kepa Koldo Burusco Goñi (Tue Nov 16 2004 - 04:56:40 CST)
AMBER: SUSE 9.1 and AMBER 8 Ilyas Yildirim (Tue Nov 16 2004 - 05:12:16 CST)
Re: AMBER: SUSE 9.1 and AMBER 8 Andreas Svrcek-Seiler (Tue Nov 16 2004 - 07:10:44 CST)
INSTALLATION GUIDE FOR IFORT AND AMBER8 IN LINUX SUSE 9.1 ....Re: AMBER: SUSE 9.1 and AMBER 8 Cenk Andac (Tue Nov 16 2004 - 08:19:03 CST)
AMBER: How to compile the downloadable RESP in UNIX Yanze Zhang (Tue Nov 16 2004 - 09:33:03 CST)
Re: AMBER: How to compile the downloadable RESP in UNIX Satpal Virdee (Tue Nov 16 2004 - 09:58:41 CST)
Re: AMBER: Can xleap to handle homology model altogether X-ray structure? David A. Case (Tue Nov 16 2004 - 10:13:11 CST)
Re: AMBER: Can xleap to handle homology model altogether X-ray structure? Joachim Reichelt (Tue Nov 16 2004 - 11:42:02 CST)
Re: AMBER: AMBER8 compiling error under Itanium 2. Jack Lei (Tue Nov 16 2004 - 11:32:23 CST)
AMBER: restrained options Toshifumi Yui (Tue Nov 16 2004 - 10:42:22 CST)
AMBER: <dV/dL> fluctuations in TI Nelson Fonseca (Wed Nov 17 2004 - 05:39:01 CST)
AMBER: Problem with a single aminoacid as inhibitor Daniel Wetzler (Wed Nov 17 2004 - 05:54:04 CST)
AMBER: Problem with a single aminoacid as inhibitor Daniel Wetzler (Wed Nov 17 2004 - 05:59:12 CST)
Re: AMBER: Problem with a single aminoacid as inhibitor Carlos Simmerling (Wed Nov 17 2004 - 06:43:08 CST)
Re: AMBER: Problem with a single aminoacid as inhibitor david.evans_at_ulsop.ac.uk (Wed Nov 17 2004 - 06:55:58 CST)
Re: AMBER: <dV/dL> fluctuations in TI Thomas Steinbrecher (Wed Nov 17 2004 - 07:06:40 CST)
AMBER: Problem to update antechamber package. Guillaume Bollot (Wed Nov 17 2004 - 07:50:49 CST)
Re: AMBER: Problem with a single aminoacid as inhibitor M. L. Dodson (Wed Nov 17 2004 - 09:29:26 CST)
Re: AMBER: Problem with a single aminoacid as inhibitor Daniel Wetzler (Wed Nov 17 2004 - 10:13:50 CST)
AMBER: RMS of energy in Minimization using SANDER Jack Lei (Wed Nov 17 2004 - 12:15:31 CST)
RE: AMBER: RMS of energy in Minimization using SANDER Ross Walker (Wed Nov 17 2004 - 12:36:25 CST)
RE: AMBER: ifort 8.0 Ross Walker (Wed Nov 17 2004 - 12:39:49 CST)
RE: AMBER: ambpdb segmentation fault Ross Walker (Wed Nov 17 2004 - 15:35:40 CST)
Re: AMBER: ambpdb segmentation fault justin litchfield (Wed Nov 17 2004 - 16:46:01 CST)
Re: AMBER: How to compile the downloadable RESP in UNIX Yanze Zhang (Wed Nov 17 2004 - 17:04:57 CST)
Re: AMBER: How to compile the downloadable RESP in UNIX Satpal Virdee (Thu Nov 18 2004 - 06:36:07 CST)
AMBER: Fifth European Workshop in Drug Design Andrea Tafi (Thu Nov 18 2004 - 06:35:02 CST)
AMBER: Diastereoisomers of ATP William Boxford (Thu Nov 18 2004 - 09:18:42 CST)
AMBER: calcium van der Waals parameters cailliez (Thu Nov 18 2004 - 10:53:23 CST)
Re: AMBER: calcium van der Waals parameters Bill Ross (Thu Nov 18 2004 - 12:25:49 CST)
Re: AMBER: How to compile the downloadable RESP in UNIX Yanze Zhang (Thu Nov 18 2004 - 14:10:13 CST)
Re: AMBER: <dV/dL> fluctuations in TI Chunhu Tan (Thu Nov 18 2004 - 16:57:05 CST)
AMBER: Problem with carnal on linux Sébastien Fiorucci (Fri Nov 19 2004 - 08:13:26 CST)
AMBER: SHAKE probelm Huang, Hai (Fri Nov 19 2004 - 10:25:24 CST)
RE: AMBER: Problem with carnal on linux Ross Walker (Fri Nov 19 2004 - 11:36:08 CST)
RE: AMBER: SHAKE probelm Ross Walker (Fri Nov 19 2004 - 11:35:18 CST)
AMBER: amber8 compilation lucian livadaru (Fri Nov 19 2004 - 12:51:00 CST)
Re: AMBER: <dV/dL> fluctuations in TI Chunhu Tan (Fri Nov 19 2004 - 13:07:03 CST)
AMBER: leap compiling problem on a 64-bit machine xhu1_at_memphis.edu (Fri Nov 19 2004 - 13:13:22 CST)
RE: AMBER: amber8 compilation Ross Walker (Fri Nov 19 2004 - 13:20:00 CST)
RE: AMBER: leap compiling problem on a 64-bit machine Ross Walker (Fri Nov 19 2004 - 13:32:01 CST)
AMBER: Electrolyte concentrations in MD arubin_at_unmc.edu (Fri Nov 19 2004 - 14:56:09 CST)
Re: AMBER: leap compiling problem on a 64-bit machine Bill Ross (Fri Nov 19 2004 - 15:14:07 CST)
RE: AMBER: SHAKE probelm Huang, Hai (Fri Nov 19 2004 - 16:56:54 CST)
RE: AMBER: SHAKE probelm Ross Walker (Fri Nov 19 2004 - 17:09:05 CST)
Re: RE: AMBER: leap compiling problem on a 64-bit machine xhu1_at_memphis.edu (Fri Nov 19 2004 - 17:51:58 CST)
Re: RE: AMBER: leap compiling problem on a 64-bit machine Tomas Linhart (Fri Nov 19 2004 - 19:14:51 CST)
Re: RE: AMBER: leap compiling problem on a 64-bit machine xhu1_at_memphis.edu (Sat Nov 20 2004 - 14:19:27 CST)
Re: RE: AMBER: leap compiling problem on a 64-bit machine Tomas Linhart (Sat Nov 20 2004 - 16:15:44 CST)
Re: RE: AMBER: leap compiling problem on a 64-bit machine xhu1_at_memphis.edu (Sun Nov 21 2004 - 16:52:02 CST)
Re: RE: AMBER: leap compiling problem on a 64-bit machine Tomas Linhart (Sun Nov 21 2004 - 17:22:25 CST)
Re: RE: AMBER: leap compiling problem on a 64-bit machine xhu1_at_memphis.edu (Sun Nov 21 2004 - 21:31:53 CST)
Re: AMBER: ambpdb segmentation fault justin litchfield (Sun Nov 21 2004 - 23:09:25 CST)
Re: AMBER: ambpdb segmentation fault Bill Ross (Sun Nov 21 2004 - 23:34:13 CST)
AMBER: calculation of pKa values Peter Trodler (Mon Nov 22 2004 - 02:32:25 CST)
AMBER: sander, MD problems Kepa Koldo Burusco Goñi (Mon Nov 22 2004 - 06:00:37 CST)
Re: AMBER: sander, MD problems Carlos Simmerling (Mon Nov 22 2004 - 06:53:29 CST)
Re: AMBER: calcium van der Waals parameters cailliez (Mon Nov 22 2004 - 11:10:30 CST)
Re: AMBER: calcium van der Waals parameters Bill Ross (Mon Nov 22 2004 - 12:57:09 CST)
Re: AMBER: calcium van der Waals parameters Piotr Cieplak (Mon Nov 22 2004 - 13:03:57 CST)
AMBER: problem solved: leap compiling problem on a 64-bit machine xhu1_at_memphis.edu (Mon Nov 22 2004 - 14:51:28 CST)
AMBER: New problem on our 64bit box: xleap Segmentation fault xhu1_at_memphis.edu (Mon Nov 22 2004 - 15:03:48 CST)
AMBER: LEaP compilation error on Solaris 9 Joe Nolan (Mon Nov 22 2004 - 15:21:41 CST)
Re: AMBER: New problem on our 64bit box: xleap Segmentation fault Bill Ross (Mon Nov 22 2004 - 15:27:21 CST)
RE: AMBER: New problem on our 64bit box: xleap Segmentation fault Ross Walker (Mon Nov 22 2004 - 15:29:13 CST)
AMBER: generating parmfile containing topology and parameter information Nitin Bhardwaj (Mon Nov 22 2004 - 15:29:00 CST)
AMBER: questions on dummy atom types in FEP setup Eric Hu (Mon Nov 22 2004 - 15:37:54 CST)
RE: AMBER: generating parmfile containing topology and parameter information Ross Walker (Mon Nov 22 2004 - 15:46:30 CST)
Re: AMBER: LEaP compilation error on Solaris 9 David A. Case (Mon Nov 22 2004 - 16:02:35 CST)
AMBER: mm_pbsa +fillratio Carsten Detering (Mon Nov 22 2004 - 17:14:55 CST)
Re: AMBER: LEaP compilation error on Solaris 9 Bill Ross (Mon Nov 22 2004 - 16:16:10 CST)
RE: AMBER: amber8 compilation lucian livadaru (Mon Nov 22 2004 - 16:22:43 CST)
Re: RE: AMBER: New problem on our 64bit box: xleap Segmentation fault xhu1_at_memphis.edu (Mon Nov 22 2004 - 16:37:03 CST)
Re: AMBER: New problem on our 64bit box: xleap Segmentation fault xhu1_at_memphis.edu (Mon Nov 22 2004 - 16:38:37 CST)
Re: AMBER: problem solved: leap compiling problem on a 64-bit machine Bill Ross (Mon Nov 22 2004 - 16:37:58 CST)
RE: AMBER: amber8 compilation Ross Walker (Mon Nov 22 2004 - 16:48:03 CST)
Re: AMBER: mm_pbsa +fillratio David A. Case (Mon Nov 22 2004 - 17:20:03 CST)
Re: AMBER: mm_pbsa +fillratio Carsten Detering (Mon Nov 22 2004 - 18:38:13 CST)
Re: AMBER: questions on dummy atom types in FEP setup Chunhu Tan (Mon Nov 22 2004 - 17:37:57 CST)
Re: AMBER: problem solved: leap compiling problem on a 64-bit machine xhu1_at_memphis.edu (Mon Nov 22 2004 - 17:48:43 CST)
RE: AMBER: generating parmfile containing topology and parameter information Nitin Bhardwaj (Mon Nov 22 2004 - 17:53:07 CST)
Re: AMBER: generating parmfile containing topology and parameter information David A. Case (Mon Nov 22 2004 - 18:12:20 CST)
AMBER: Problem with converting AMBER PREP to MOL2 Cenk Andac (Mon Nov 22 2004 - 18:13:39 CST)
AMBER: mm_pbsa + vertex atom mismatch Carsten Detering (Mon Nov 22 2004 - 21:01:28 CST)
Re: AMBER: questions on dummy atom types in FEP setup Eric Hu (Mon Nov 22 2004 - 20:22:45 CST)
AMBER: Resend: Problem with converting AMBER8 PREP to MOL2 Cenk Andac (Tue Nov 23 2004 - 02:57:55 CST)
AMBER: langevin dynamic in sander Stefano.Pieraccini_at_unimi.it (Tue Nov 23 2004 - 03:33:08 CST)
AMBER: TI with electrostatic decoupling Nelson Fonseca (Tue Nov 23 2004 - 03:56:44 CST)
AMBER: restart calculation tang kwa (Tue Nov 23 2004 - 04:31:22 CST)
AMBER: Problem with minimisation of an protein-inhibitor complex Daniel Wetzler (Tue Nov 23 2004 - 04:31:33 CST)
Re: AMBER: restart calculation Tomas Linhart (Tue Nov 23 2004 - 04:53:29 CST)
Re: AMBER: restart calculation tang kwa (Tue Nov 23 2004 - 05:44:45 CST)
AMBER: Problem with minimisation of an protein-inhibitor complex Daniel Wetzler (Tue Nov 23 2004 - 06:31:38 CST)
Re: AMBER: restart calculation Carlos Simmerling (Tue Nov 23 2004 - 06:45:28 CST)
AMBER: add dummy atoms tang kwa (Tue Nov 23 2004 - 08:27:05 CST)
Re: AMBER: Problem with converting AMBER PREP to MOL2 David A. Case (Tue Nov 23 2004 - 10:12:06 CST)
Re: AMBER: langevin dynamic in sander David A. Case (Tue Nov 23 2004 - 10:21:30 CST)
Re: AMBER: add dummy atoms David A. Case (Tue Nov 23 2004 - 10:27:48 CST)
Re: AMBER: restart calculation David A. Case (Tue Nov 23 2004 - 10:39:37 CST)
Re: AMBER: TI with electrostatic decoupling David A. Case (Tue Nov 23 2004 - 10:42:16 CST)
Re: AMBER: Problem with converting AMBER PREP to MOL2 david.evans_at_ulsop.ac.uk (Tue Nov 23 2004 - 11:06:22 CST)
RE: AMBER: restart calculation Ross Walker (Tue Nov 23 2004 - 12:02:12 CST)
Re: AMBER: Problem with converting AMBER PREP to MOL2 Bill Ross (Tue Nov 23 2004 - 12:00:31 CST)
RE: AMBER: Problem with minimisation of an protein-inhibitor complex Ross Walker (Tue Nov 23 2004 - 12:16:04 CST)
AMBER: Antechamber problems Kara Wald (Tue Nov 23 2004 - 12:49:43 CST)
Re: AMBER: TI with electrostatic decoupling Chunhu Tan (Tue Nov 23 2004 - 13:01:48 CST)
RE: AMBER: SHAKE probelm Huang, Hai (Tue Nov 23 2004 - 16:01:25 CST)
AMBER: md.out & plot bybaker_at_itsa.ucsf.edu (Tue Nov 23 2004 - 16:23:41 CST)
Re: AMBER: md.out & plot Luis Gracia (Tue Nov 23 2004 - 16:43:33 CST)
RE: AMBER: md.out & plot Ross Walker (Tue Nov 23 2004 - 16:59:58 CST)
AMBER: cannot load frcmod file properly Eric Hu (Tue Nov 23 2004 - 17:10:17 CST)
AMBER: Re: md.out & plot bybaker_at_itsa.ucsf.edu (Tue Nov 23 2004 - 19:26:36 CST)
AMBER: build a cyclic peptide Eric Hu (Tue Nov 23 2004 - 19:34:13 CST)
Re: AMBER: cannot load frcmod file properly Chunhu Tan (Tue Nov 23 2004 - 20:12:42 CST)
Re: AMBER: build a cyclic peptide Bill Ross (Tue Nov 23 2004 - 20:33:04 CST)
AMBER: Installation of AMBER8 on AMD cluster using pgf90 Hwankyu Lee (Tue Nov 23 2004 - 20:41:13 CST)
Re: AMBER: build a cyclic peptide Carlos Simmerling (Tue Nov 23 2004 - 20:43:13 CST)
Re: AMBER: Re: md.out & plot Furse, Kristina Elisabet (Tue Nov 23 2004 - 22:29:37 CST)
Re: AMBER: Re: md.out & plot Furse, Kristina Elisabet (Tue Nov 23 2004 - 22:37:21 CST)
AMBER: Re: md.out & plot bybaker_at_itsa.ucsf.edu (Wed Nov 24 2004 - 00:21:10 CST)
Re: AMBER: Installation of AMBER8 on AMD cluster using pgf90 David A. Case (Wed Nov 24 2004 - 01:03:55 CST)
Re: AMBER: Installation of AMBER8 on AMD cluster using pgf90 Hwankyu Lee (Wed Nov 24 2004 - 08:03:28 CST)
AMBER: missing XaLeap_wcl file Nitin Bhardwaj (Wed Nov 24 2004 - 12:22:04 CST)
Re: AMBER: cannot load frcmod file properly Eric Hu (Wed Nov 24 2004 - 12:28:02 CST)
AMBER: extracting energy from trajector? MURAT CETINKAYA (Wed Nov 24 2004 - 12:33:04 CST)
Re: AMBER: build a cyclic peptide Eric Hu (Wed Nov 24 2004 - 12:26:44 CST)
Re: AMBER: build a cyclic peptide Bill Ross (Wed Nov 24 2004 - 12:39:15 CST)
Re: AMBER: build a cyclic peptide Carlos Simmerling (Wed Nov 24 2004 - 12:56:57 CST)
Re: AMBER: extracting energy from trajector? Bill Ross (Wed Nov 24 2004 - 12:50:30 CST)
Re: AMBER: extracting energy from trajector? Carlos Simmerling (Wed Nov 24 2004 - 12:55:49 CST)
Re: AMBER: extracting energy from trajector? Carlos Simmerling (Wed Nov 24 2004 - 13:07:12 CST)
Re: AMBER: extracting energy from trajector? Bill Ross (Wed Nov 24 2004 - 13:33:29 CST)
Re: AMBER: extracting energy from trajector? David Smith (Wed Nov 24 2004 - 13:29:34 CST)
Re: AMBER: build a cyclic peptide Eric Hu (Wed Nov 24 2004 - 14:11:18 CST)
Re: AMBER: build a cyclic peptide Carlos Simmerling (Wed Nov 24 2004 - 14:33:10 CST)
Re: AMBER: cannot load frcmod file properly Chunhu Tan (Wed Nov 24 2004 - 14:37:46 CST)
Re: AMBER: build a cyclic peptide Bill Ross (Wed Nov 24 2004 - 15:56:44 CST)
AMBER: nucgen problem opitz_at_che.udel.edu (Wed Nov 24 2004 - 16:08:52 CST)
Re: AMBER: nucgen problem david.evans_at_ulsop.ac.uk (Thu Nov 25 2004 - 03:04:28 CST)
AMBER: Regarding Dielectric Constant in AMBER8 pande.vineet_at_fc.up.pt (Thu Nov 25 2004 - 09:22:41 CST)
Re: AMBER: Regarding Dielectric Constant in AMBER8 Carlos Simmerling (Thu Nov 25 2004 - 09:50:12 CST)
Re: AMBER: Regarding Dielectric Constant in AMBER8 pande.vineet_at_fc.up.pt (Thu Nov 25 2004 - 10:03:27 CST)
Re: AMBER: Regarding Dielectric Constant in AMBER8 Carlos Simmerling (Thu Nov 25 2004 - 10:45:34 CST)
Re: AMBER: nucgen problem Bill Ross (Thu Nov 25 2004 - 11:08:14 CST)
Re: AMBER: question about molsurf Chris Page (Thu Nov 25 2004 - 12:45:28 CST)
Re: AMBER: Regarding Dielectric Constant in AMBER8 pande.vineet_at_fc.up.pt (Fri Nov 26 2004 - 02:45:50 CST)
Re: AMBER: Regarding Dielectric Constant in AMBER8 Carlos Simmerling (Fri Nov 26 2004 - 08:02:56 CST)
Re: AMBER: Regarding Dielectric Constant in AMBER8 pande.vineet_at_fc.up.pt (Fri Nov 26 2004 - 10:45:47 CST)
Re: AMBER: Regarding Dielectric Constant in AMBER8 pande.vineet_at_fc.up.pt (Fri Nov 26 2004 - 10:35:43 CST)
Re: AMBER: Regarding Dielectric Constant in AMBER8 Carlos Simmerling (Fri Nov 26 2004 - 10:55:48 CST)
Re: AMBER: Regarding Dielectric Constant in AMBER8 pande.vineet_at_fc.up.pt (Fri Nov 26 2004 - 12:59:19 CST)
Re: AMBER: Regarding Dielectric Constant in AMBER8 Carlos Simmerling (Fri Nov 26 2004 - 13:24:59 CST)
AMBER: combine crd files bybaker_at_itsa.ucsf.edu (Fri Nov 26 2004 - 16:54:43 CST)
AMBER: sander.QMMM on Mac justin litchfield (Fri Nov 26 2004 - 17:17:35 CST)
Re: AMBER: combine crd files Furse, Kristina Elisabet (Fri Nov 26 2004 - 17:42:09 CST)
Re: AMBER: combine crd files Carlos Simmerling (Fri Nov 26 2004 - 18:03:28 CST)
RE: AMBER: sander.QMMM on Mac Ross Walker (Fri Nov 26 2004 - 19:56:56 CST)
AMBER: Protein with maximum hydrogen bonds anshul_at_imtech.res.in (Sat Nov 27 2004 - 11:23:43 CST)
RE: AMBER: Protein with maximum hydrogen bonds Ross Walker (Sat Nov 27 2004 - 01:15:34 CST)
AMBER: About Disulfer bond Xiao He (Sat Nov 27 2004 - 02:11:00 CST)
Re: AMBER: sander.QMMM on Mac justin litchfield (Sat Nov 27 2004 - 02:29:26 CST)
Re: AMBER: Protein with maximum hydrogen bonds pande.vineet_at_fc.up.pt (Sat Nov 27 2004 - 08:13:58 CST)
Fwd: Re: AMBER: Protein with maximum hydrogen bonds pande.vineet_at_fc.up.pt (Sat Nov 27 2004 - 08:19:31 CST)
Re: AMBER: Protein with maximum hydrogen bonds Sanjeev B.S. (Sat Nov 27 2004 - 09:14:01 CST)
Re: AMBER: About Disulfer bond David A. Case (Sat Nov 27 2004 - 12:05:28 CST)
AMBER: xfl90 and xlc "C" compiler Dr. Noah Allen (Sat Nov 27 2004 - 14:05:28 CST)
Re: AMBER: xfl90 and xlc "C" compiler justin litchfield (Sat Nov 27 2004 - 14:42:22 CST)
AMBER: GO lie Amber simulation Alena Shmygelska (Sat Nov 27 2004 - 15:48:53 CST)
Re: AMBER: GO lie Amber simulation David A. Case (Sat Nov 27 2004 - 17:37:45 CST)
AMBER: saving trajectory parameters Ed Pate (Sat Nov 27 2004 - 18:17:40 CST)
RE: AMBER: saving trajectory parameters Ross Walker (Sat Nov 27 2004 - 18:52:03 CST)
AMBER: MD run: frozen bybaker_at_itsa.ucsf.edu (Sun Nov 28 2004 - 00:17:36 CST)
RE: AMBER: MD run: frozen Ross Walker (Sun Nov 28 2004 - 01:00:37 CST)
Re: AMBER: MD run: frozen Carlos Simmerling (Sun Nov 28 2004 - 09:32:25 CST)
AMBER: FEP - GIBBS of charged sidechains using IELPER Annette Höglund (Sun Nov 28 2004 - 11:26:06 CST)
Re: AMBER: FEP - GIBBS of charged sidechains using IELPER David A. Case (Sun Nov 28 2004 - 17:28:43 CST)
Re: AMBER: MD run: frozen bybaker_at_itsa.ucsf.edu (Sun Nov 28 2004 - 18:39:30 CST)
Re: AMBER: extracting energy from trajector? MURAT CETINKAYA (Sun Nov 28 2004 - 18:59:27 CST)
AMBER: question! Marsita M (Sun Nov 28 2004 - 21:01:41 CST)
Re: AMBER: extracting energy from trajector? David Smith (Mon Nov 29 2004 - 06:37:41 CST)
Re: AMBER: extracting energy from trajector? David Smith (Mon Nov 29 2004 - 07:04:52 CST)
AMBER: problem in quasih.f diagonalising matrix Phineus Markwick (Mon Nov 29 2004 - 07:14:35 CST)
Re: AMBER: extracting energy from trajector? MURAT CETINKAYA (Mon Nov 29 2004 - 09:31:14 CST)
Re: AMBER: problem in quasih.f diagonalising matrix David A. Case (Mon Nov 29 2004 - 10:38:46 CST)
Re: AMBER: extracting energy from trajector? David Smith (Mon Nov 29 2004 - 10:54:53 CST)
AMBER: Leap & x86_64 / PGI (was: xleap solvatebox/oct problem) Hannes Barsch (Mon Nov 29 2004 - 11:02:15 CST)
Re: AMBER: extracting energy from trajector? MURAT CETINKAYA (Mon Nov 29 2004 - 11:20:12 CST)
Re: AMBER: extracting energy from trajector? David Smith (Mon Nov 29 2004 - 11:39:30 CST)
AMBER: Restrained minimization problem opitz_at_che.udel.edu (Mon Nov 29 2004 - 16:11:56 CST)
Re: AMBER: Restrained minimization problem Bill Ross (Mon Nov 29 2004 - 16:31:54 CST)
Re: AMBER: Restrained minimization problem opitz_at_che.udel.edu (Mon Nov 29 2004 - 16:50:14 CST)
Re: AMBER: Restrained minimization problem opitz_at_che.udel.edu (Mon Nov 29 2004 - 16:56:47 CST)
Re: AMBER: Restrained minimization problem Thomas E. Cheatham, III (Mon Nov 29 2004 - 17:02:44 CST)
Re: AMBER: Restrained minimization problem Bill Ross (Mon Nov 29 2004 - 17:25:58 CST)
Re: AMBER: Restrained minimization problem David A. Case (Mon Nov 29 2004 - 17:27:41 CST)
Re: AMBER: Restrained minimization problem Furse, Kristina Elisabet (Mon Nov 29 2004 - 17:32:28 CST)
AMBER: increasing the maximum value of NPHB parameter Alena Shmygelska (Mon Nov 29 2004 - 23:05:08 CST)
AMBER: Slowly releasing restraints Marcin Krol (Tue Nov 30 2004 - 05:12:37 CST)
AMBER: amber8 parallel installation with mpich cailliez (Tue Nov 30 2004 - 06:24:41 CST)
Re: AMBER: amber8 parallel installation with mpich Marc Baaden (Tue Nov 30 2004 - 06:00:26 CST)
Re: AMBER: amber8 parallel installation with mpich Marc Baaden (Tue Nov 30 2004 - 06:27:18 CST)
AMBER: problem loading mdcrd to VMD Ru-Zhen Li (Tue Nov 30 2004 - 06:59:40 CST)
Re: AMBER: problem loading mdcrd to VMD Stefano.Pieraccini_at_unimi.it (Tue Nov 30 2004 - 08:04:07 CST)
Re: AMBER: problem loading mdcrd to VMD David Smith (Tue Nov 30 2004 - 08:19:24 CST)
Re: AMBER: problem loading mdcrd to VMD David E. Konerding (Tue Nov 30 2004 - 09:45:59 CST)
Re: AMBER: problem loading mdcrd to VMD Ru-Zhen Li (Tue Nov 30 2004 - 11:05:57 CST)
AMBER: Implicit 4r md yen li (Tue Nov 30 2004 - 10:58:34 CST)
Re: AMBER: problem loading mdcrd to VMD David Smith (Tue Nov 30 2004 - 11:44:16 CST)
Re: AMBER: problem loading mdcrd to VMD myang_at_vitamin.uni.cc (Tue Nov 30 2004 - 12:48:43 CST)
Re: AMBER: Slowly releasing restraints David A. Case (Tue Nov 30 2004 - 13:55:40 CST)
Re: AMBER: problem loading mdcrd to VMD John Bushnell (Tue Nov 30 2004 - 16:41:14 CST)
AMBER: Re: AMBER: problem loading mdcrd to VMD Dawsonzhu_at_aol.com (Tue Nov 30 2004 - 17:03:46 CST)
Re: AMBER: problem loading mdcrd to VMD Ru-Zhen Li (Tue Nov 30 2004 - 17:17:08 CST)
AMBER: memory prolem of the nmode calculation Xiao Jian Tan (Tue Nov 30 2004 - 17:24:18 CST)
Re: AMBER: memory prolem of the nmode calculation David A. Case (Tue Nov 30 2004 - 19:40:29 CST)
Re: AMBER: increasing the maximum value of NPHB parameter David A. Case (Tue Nov 30 2004 - 19:58:59 CST)

Last message date: Thu May 05 2005 - 14:26:38 CDT
Archived on: Thu May 05 2005 - 14:30:04 CDT

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