Amber Archive Aug 2004 By Date
359 messages
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Starting
Mon Aug 02 2004 - 10:53:00 PDT,
Ending
Thu Sep 02 2004 - 01:15:13 PDT
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Mon Aug 02 2004 - 02:15:34 PDT
Re: AMBER: tleap: automatically identify and connect disulfide bonds?
Raik Grünberg
Mon Aug 02 2004 - 02:30:56 PDT
Re: AMBER: ptraj: load crd without hydrogen (i.e. missing parm file)
Raik Grünberg
Mon Aug 02 2004 - 13:32:37 PDT
AMBER: FW: Imaging problem
Steve Seibold
Mon Aug 02 2004 - 17:57:19 PDT
AMBER: recompiling amber8
Carsten Detering
Mon Aug 02 2004 - 18:12:52 PDT
Re: AMBER: recompiling amber8
Robert Duke
Mon Aug 02 2004 - 18:18:25 PDT
Re: AMBER: recompiling amber8
David A. Case
Mon Aug 02 2004 - 20:21:50 PDT
AMBER: Minimum imaging
Grace Li
Mon Aug 02 2004 - 23:39:06 PDT
Re: AMBER: mm_pbsa Abmer8 example
Holger Gohlke
Tue Aug 03 2004 - 10:29:12 PDT
AMBER: charge not zero
anshul.imtech.res.in
Tue Aug 03 2004 - 04:22:59 PDT
AMBER: cpinutil.pl error
Rukman Hertadi
Tue Aug 03 2004 - 07:25:47 PDT
Re: AMBER: Minimum imaging
David A. Case
Tue Aug 03 2004 - 07:46:54 PDT
Re: AMBER: charge not zero
FyD
Tue Aug 03 2004 - 08:55:04 PDT
Re: AMBER: recompiling amber8
Carsten Detering
Tue Aug 03 2004 - 09:30:41 PDT
Re: AMBER: recompiling amber8
Robert Duke
Tue Aug 03 2004 - 10:20:21 PDT
AMBER: xleap problem fixed!
HL Eastwood
Tue Aug 03 2004 - 11:02:12 PDT
Re: AMBER: recompiling amber8
Xiao Jian Tan
Tue Aug 03 2004 - 11:03:40 PDT
Re: AMBER: cpinutil.pl error
John Mongan
Tue Aug 03 2004 - 13:31:00 PDT
Re: AMBER: recompiling amber8
Viktor Hornak
Tue Aug 03 2004 - 13:49:34 PDT
AMBER: mm_pbsa problem
Carsten Detering
Tue Aug 03 2004 - 13:38:55 PDT
AMBER: Problem: Installing Amber8 on PC with Windows XP
Nhat-hang Duong
Tue Aug 03 2004 - 14:23:20 PDT
AMBER: Re: Phosphoserine residue in AMBER
David A. Case
Tue Aug 03 2004 - 14:47:08 PDT
Re: AMBER: Problem: Installing Amber8 on PC with Windows XP
fangyu liang
Tue Aug 03 2004 - 15:28:25 PDT
Re: AMBER: Problem: Installing Amber8 on PC with Windows XP
David A. Case
Tue Aug 03 2004 - 16:18:48 PDT
Re: AMBER: mm_pbsa problem
Ray Luo
Tue Aug 03 2004 - 22:01:54 PDT
Re: AMBER: Minimum imaging
Joseph Nachman
Wed Aug 04 2004 - 08:38:30 PDT
AMBER: Bug and Patch in ANAL
Andy Purkiss
Wed Aug 04 2004 - 20:48:11 PDT
Re: AMBER: charge not zero
anshul.imtech.res.in
Wed Aug 04 2004 - 10:35:03 PDT
AMBER: RMSD result from GB model
Yongzhi Chen
Wed Aug 04 2004 - 10:53:08 PDT
AMBER: atoms not in residue templates
Yongzhi Chen
Wed Aug 04 2004 - 11:06:50 PDT
RE: AMBER: RMSD result from GB model
Ross Walker
Wed Aug 04 2004 - 11:15:28 PDT
AMBER: intense and spectrum
Yaroslava Yingling
Wed Aug 04 2004 - 11:23:13 PDT
Re: AMBER: charge not zero
FyD
Wed Aug 04 2004 - 11:26:55 PDT
RE: AMBER: atoms not in residue templates
Ross Walker
Wed Aug 04 2004 - 11:32:28 PDT
AMBER: RE: Hello Sir,
Ross Walker
Wed Aug 04 2004 - 12:57:51 PDT
Re: AMBER: charge not zero
FyD
Wed Aug 04 2004 - 12:23:29 PDT
AMBER: sander.QMMM: CHARGE keyword in divcon.in file
M. L. Dodson
Wed Aug 04 2004 - 13:48:08 PDT
RE: AMBER: sander.QMMM: CHARGE keyword in divcon.in file
Ross Walker
Wed Aug 04 2004 - 14:35:48 PDT
AMBER: A question about pheTI in AMBER8 test.
Chunhu Tan
Wed Aug 04 2004 - 16:38:52 PDT
Re: AMBER: A question about pheTI in AMBER8 test.
David A. Case
Wed Aug 04 2004 - 16:41:13 PDT
Re: AMBER: intense and spectrum
David A. Case
Wed Aug 04 2004 - 17:08:07 PDT
Re: AMBER: sander.QMMM: CHARGE keyword in divcon.in file
M. L. Dodson
Thu Aug 05 2004 - 01:32:36 PDT
Re: AMBER: RMSD result from GB model
Marcin Krol
Thu Aug 05 2004 - 05:17:44 PDT
AMBER: Angle parameters in phosphate groups
Seongeun Yang
Thu Aug 05 2004 - 08:54:19 PDT
AMBER: How to covalently bind a ligand to a residue?
Ozlem Demir
Thu Aug 05 2004 - 08:44:38 PDT
Re: AMBER: Bug and Patch in ANAL
David A. Case
Thu Aug 05 2004 - 15:03:36 PDT
AMBER: Using TIP4P water in free energy calculation
Lijiang Yang
Thu Aug 05 2004 - 15:30:20 PDT
Re: AMBER: sander.QMMM: CHARGE keyword in divcon.in file
M. L. Dodson
Thu Aug 05 2004 - 15:35:22 PDT
Re: AMBER: Using TIP4P water in free energy calculation
David A. Case
Thu Aug 05 2004 - 15:56:56 PDT
Re: AMBER: A question about pheTI in AMBER8 test.
Chunhu Tan
Thu Aug 05 2004 - 17:39:06 PDT
Re: AMBER: A question about pheTI in AMBER8 test.
David A. Case
Thu Aug 05 2004 - 21:33:41 PDT
AMBER: sander error
Rukman Hertadi
Thu Aug 05 2004 - 21:50:09 PDT
RE: AMBER: sander error
Ross Walker
Thu Aug 05 2004 - 22:06:02 PDT
Re: AMBER: How to covalently bind a ligand to a residue?
Bimo Ario Tejo
Thu Aug 05 2004 - 22:04:07 PDT
Re: AMBER: Using TIP4P water in free energy calculation
Lijiang Yang
Thu Aug 05 2004 - 22:35:09 PDT
AMBER: another cpinutil.pl error
Rukman Hertadi
Fri Aug 06 2004 - 01:11:39 PDT
Re: AMBER: How to covalently bind a ligand to a residue?
david.evans.ulsop.ac.uk
Fri Aug 06 2004 - 01:22:17 PDT
Re: AMBER: How to covalently bind a ligand to a residue?
david.evans.ulsop.ac.uk
Fri Aug 06 2004 - 08:56:46 PDT
Re: AMBER: Using TIP4P water in free energy calculation
David A. Case
Fri Aug 06 2004 - 08:58:46 PDT
Re: AMBER: another cpinutil.pl error
David A. Case
Fri Aug 06 2004 - 10:40:33 PDT
AMBER: AMBER7 plastocyanin tutorial problem.
tarek mahfouz
Fri Aug 06 2004 - 10:57:42 PDT
Re: AMBER: AMBER7 plastocyanin tutorial problem.
Rhonda Torres
Fri Aug 06 2004 - 11:37:06 PDT
AMBER: RE: about PME in Amber6
Ross Walker
Fri Aug 06 2004 - 11:42:06 PDT
Re: AMBER: Using TIP4P water in free energy calculation
Lijiang Yang
Fri Aug 06 2004 - 12:09:34 PDT
Re: AMBER: AMBER7 plastocyanin tutorial problem.
David A. Case
Sat Aug 07 2004 - 00:18:32 PDT
AMBER: atomic positional fluctuation
RAJA SWAMINATHAN
Sun Aug 08 2004 - 05:31:22 PDT
AMBER: antechamber test
mathew k varghese
Sun Aug 08 2004 - 09:40:34 PDT
Re: AMBER: antechamber test
David A. Case
Mon Aug 09 2004 - 04:35:37 PDT
AMBER: Problems with Carnal coordinate average
HL Eastwood
Mon Aug 09 2004 - 06:54:00 PDT
AMBER: error while loading shared libraries: libcxa.so.5
Madalin Giambasu
Mon Aug 09 2004 - 07:24:06 PDT
Re: AMBER: error while loading shared libraries: libcxa.so.5
Guanglei Cui
Mon Aug 09 2004 - 07:42:16 PDT
Re: AMBER: error while loading shared libraries: libcxa.so.5
Mark Williamson
Mon Aug 09 2004 - 08:52:03 PDT
AMBER: trival question about format of pev file and covariance matrix
jz7.duke.edu
Mon Aug 09 2004 - 09:24:59 PDT
AMBER: Sander
sachin patil
Mon Aug 09 2004 - 09:57:40 PDT
Re: AMBER: Sander
David A. Case
Mon Aug 09 2004 - 10:12:04 PDT
Re: AMBER: Problems with Carnal coordinate average
Bill Ross
Mon Aug 09 2004 - 11:26:20 PDT
Re: AMBER: Sander
sachin patil
Mon Aug 09 2004 - 11:51:26 PDT
Re: AMBER: Adding residues
tarek mahfouz
Mon Aug 09 2004 - 11:50:59 PDT
RE: AMBER: Adding residues
Ross Walker
Mon Aug 09 2004 - 12:00:50 PDT
Re: AMBER: Adding residues
Rhonda Torres
Mon Aug 09 2004 - 12:23:08 PDT
Re: AMBER: Adding residues
Bill Ross
Mon Aug 09 2004 - 12:25:10 PDT
AMBER: question about covariance matrix from ptraj
jz7.duke.edu
Mon Aug 09 2004 - 12:45:18 PDT
AMBER: resp charge calculation for Fe+3 heme
Sebastian Fernandez Alberti
Mon Aug 09 2004 - 13:00:06 PDT
Re: AMBER: question about covariance matrix from ptraj
Elijah Gregory
Mon Aug 09 2004 - 13:18:46 PDT
Re: AMBER: resp charge calculation for Fe+3 heme
James W. Caldwell
Mon Aug 09 2004 - 15:21:12 PDT
Re: AMBER: Sander
David A. Case
Mon Aug 09 2004 - 15:43:10 PDT
AMBER: rdparm problem
Lijiang Yang
Mon Aug 09 2004 - 17:24:25 PDT
AMBER: perturb a water to a dummy water with shake
Dr. Turgut Bastug
Mon Aug 09 2004 - 19:28:25 PDT
AMBER: how to correct the charge of oligosaccharides
Wen-Chi Tseng
Tue Aug 10 2004 - 03:34:42 PDT
AMBER: pb_bomb in setgrd()
steven.j.enoch.gsk.com
Tue Aug 10 2004 - 07:31:40 PDT
Re: AMBER: how to correct the charge of oligosaccharides
David A. Case
Tue Aug 10 2004 - 07:53:29 PDT
Re: AMBER: how to correct the charge of oligosaccharides
Karl N. Kirschner
Tue Aug 10 2004 - 09:16:38 PDT
AMBER: Amber8 - LAM MPI Compilation problems
Thomas Steinbrecher
Tue Aug 10 2004 - 09:21:06 PDT
AMBER: RESP partial charge calculation
Sebastian Fernandez Alberti
Tue Aug 10 2004 - 09:29:13 PDT
Re: AMBER: pb_bomb in setgrd()
Ray Luo
Tue Aug 10 2004 - 09:59:33 PDT
RE: AMBER: Amber8 - LAM MPI Compilation problems
Ross Walker
Tue Aug 10 2004 - 10:25:55 PDT
Re: AMBER: RESP partial charge calculation
James W. Caldwell
Tue Aug 10 2004 - 10:46:16 PDT
Re: AMBER: RESP partial charge calculation
FyD
Tue Aug 10 2004 - 11:31:25 PDT
AMBER: unknown residue: ABA
Guowen Han
Tue Aug 10 2004 - 11:35:05 PDT
AMBER: Re: RED II and changepot
FyD
Tue Aug 10 2004 - 11:46:14 PDT
RE: AMBER: unknown residue: ABA
Ross Walker
Tue Aug 10 2004 - 12:20:36 PDT
Re: AMBER: unknown residue: ABA
Bill Ross
Tue Aug 10 2004 - 13:37:22 PDT
AMBER: Membrane protein simulation
Gabbar Daaku
Tue Aug 10 2004 - 13:48:51 PDT
AMBER: bugfix.all
Lihua Wang
Tue Aug 10 2004 - 14:45:27 PDT
Re: AMBER: unknown residue: ABA
Lao_3
Tue Aug 10 2004 - 17:23:53 PDT
AMBER: Atomic charges in Lactose
Johnson Agbo
Tue Aug 10 2004 - 17:54:25 PDT
RE: AMBER: bugfix.all
Ross Walker
Tue Aug 10 2004 - 18:06:57 PDT
Re: AMBER: Membrane protein simulation
David A. Case
Tue Aug 10 2004 - 22:55:05 PDT
AMBER: installing amber 8 on 64 bit amd opteron
Dr Gavin Seddon
Wed Aug 11 2004 - 04:51:09 PDT
AMBER: different cooling schedules for simulated annealing
Madalin Giambasu
Wed Aug 11 2004 - 05:47:46 PDT
Re: AMBER: Atomic charges in Lactose
Karl N. Kirschner
Wed Aug 11 2004 - 07:41:50 PDT
Re: AMBER: different cooling schedules for simulated annealing
David A. Case
Wed Aug 11 2004 - 08:03:38 PDT
AMBER: units
Gustavo Pierdominici Sottile
Wed Aug 11 2004 - 08:45:44 PDT
RE: AMBER: unknown residue: ABA
Lao_3
Wed Aug 11 2004 - 09:23:08 PDT
Re: AMBER: different cooling schedules for simulated annealing
Madalin Giambasu
Wed Aug 11 2004 - 09:10:19 PDT
AMBER: RESP charge derivation
Vlad Cojocaru
Wed Aug 11 2004 - 09:56:08 PDT
AMBER: How to test the used parameters.
tarek mahfouz
Wed Aug 11 2004 - 09:55:57 PDT
Re: AMBER: RESP charge derivation
FyD
Wed Aug 11 2004 - 10:31:28 PDT
Re: AMBER: How to test the used parameters.
Bill Ross
Wed Aug 11 2004 - 10:33:56 PDT
RE: AMBER: How to test the used parameters.
Ross Walker
Wed Aug 11 2004 - 11:59:33 PDT
AMBER: opteron 64 bit workstation
sachin patil
Wed Aug 11 2004 - 13:45:02 PDT
AMBER: parameter
Gustavo Pierdominici Sottile
Wed Aug 11 2004 - 14:07:18 PDT
Re: AMBER: parameter
Guanglei Cui
Wed Aug 11 2004 - 14:51:51 PDT
AMBER: Amber 8 Installation - C compiler?
Nhat-hang Duong
Wed Aug 11 2004 - 17:23:03 PDT
Re: AMBER: Amber 8 Installation - C compiler?
fangyu liang
Wed Aug 11 2004 - 17:37:45 PDT
RE: AMBER: Amber 8 Installation - C compiler?
Ross Walker
Wed Aug 11 2004 - 22:28:37 PDT
Re: AMBER: Amber 8 Installation - C compiler?
Do Anh Tuan
Thu Aug 12 2004 - 02:16:38 PDT
Re: AMBER: how to correct the charge of oligosaccharides
Wen-Chi Tseng
Thu Aug 12 2004 - 05:37:05 PDT
AMBER: Gaussian in RED
Vlad Cojocaru
Thu Aug 12 2004 - 06:29:02 PDT
AMBER: Angle parameters in phosphate groups
Seongeun Yang
Thu Aug 12 2004 - 07:18:06 PDT
Re: AMBER: Angle parameters in phosphate groups
Guanglei Cui
Thu Aug 12 2004 - 07:55:45 PDT
Re: AMBER: different cooling schedules for simulated annealing
David A. Case
Thu Aug 12 2004 - 07:56:09 PDT
Re: AMBER: units
David A. Case
Thu Aug 12 2004 - 08:53:04 PDT
AMBER: ptraj -- velocities set to zero?
Gabbar Daaku
Thu Aug 12 2004 - 10:51:35 PDT
AMBER: minimization output file format
Marsita M
Thu Aug 12 2004 - 12:28:42 PDT
AMBER: bending
Gustavo Pierdominici Sottile
Thu Aug 12 2004 - 12:43:02 PDT
RE: AMBER: minimization output file format
Ross Walker
Thu Aug 12 2004 - 12:48:30 PDT
Re: AMBER: bending
David A. Case
Thu Aug 12 2004 - 12:55:13 PDT
Re: AMBER: opteron 64 bit workstation
David A. Case
Thu Aug 12 2004 - 13:47:16 PDT
AMBER: bending
Gustavo Pierdominici Sottile
Fri Aug 13 2004 - 03:02:57 PDT
AMBER: question about compilation of AMBER8 on MANDRAKE9.2
Madalin Giambasu
Fri Aug 13 2004 - 03:09:10 PDT
RE: AMBER: question about compilation of AMBER8 on MANDRAKE9.2
Niko Jukarainen
Fri Aug 13 2004 - 03:35:20 PDT
AMBER: RED fails to read g94 output
Vlad Cojocaru
Fri Aug 13 2004 - 05:00:30 PDT
AMBER: Amber: xleap crash
Helios
Fri Aug 13 2004 - 05:34:50 PDT
AMBER: RED BUG!!!!...perhaps I fixed it
Vlad Cojocaru
Fri Aug 13 2004 - 05:56:25 PDT
AMBER: RED BUG!!!
Vlad Cojocaru
Fri Aug 13 2004 - 06:03:44 PDT
AMBER: Antechamber and dummy atoms
Perdita Barran
Fri Aug 13 2004 - 07:49:49 PDT
Re: AMBER: Antechamber and dummy atoms
David A. Case
Fri Aug 13 2004 - 09:23:50 PDT
RE: AMBER: Amber: xleap crash
Ross Walker
Fri Aug 13 2004 - 10:47:53 PDT
AMBER: pmemd config.h request for athlon
Madalin Giambasu
Fri Aug 13 2004 - 10:55:57 PDT
Re: AMBER: Antechamber and dummy atoms
Oliver Hucke
Fri Aug 13 2004 - 11:09:15 PDT
RE: AMBER: pmemd config.h request for athlon
Ross Walker
Fri Aug 13 2004 - 11:40:05 PDT
Re: AMBER: pmemd config.h request for athlon
Robert Duke
Fri Aug 13 2004 - 11:42:42 PDT
Re: AMBER: pmemd config.h request for athlon
Robert Duke
Fri Aug 13 2004 - 11:46:20 PDT
AMBER: Temp control
ding
Fri Aug 13 2004 - 11:52:22 PDT
AMBER: pmemd problems
Florian Barth
Fri Aug 13 2004 - 12:14:39 PDT
Re: AMBER: pmemd problems
Robert Duke
Fri Aug 13 2004 - 13:08:33 PDT
AMBER: Moil-view, prmtop, inpcrd question
opitz.che.udel.edu
Fri Aug 13 2004 - 13:13:20 PDT
Re: AMBER: Temp control
David A. Case
Fri Aug 13 2004 - 13:20:14 PDT
Re: AMBER: Moil-view, prmtop, inpcrd question
Viktor Hornak
Fri Aug 13 2004 - 13:28:26 PDT
Re: AMBER: Moil-view, prmtop, inpcrd question
opitz.che.udel.edu
Fri Aug 13 2004 - 13:41:27 PDT
Re: AMBER: Moil-view, prmtop, inpcrd question
Viktor Hornak
Fri Aug 13 2004 - 14:08:27 PDT
Re: AMBER: Moil-view, prmtop, inpcrd question
opitz.che.udel.edu
Fri Aug 13 2004 - 14:22:30 PDT
Re: AMBER: Moil-view, prmtop, inpcrd question
Viktor Hornak
Fri Aug 13 2004 - 13:27:54 PDT
AMBER: Bug: ptraj adds spurious box information
Don Bashford
Fri Aug 13 2004 - 15:07:42 PDT
Re: AMBER: Moil-view, prmtop, inpcrd question
David A. Case
Fri Aug 13 2004 - 15:13:33 PDT
Re: AMBER: Bug: ptraj adds spurious box information
David A. Case
Fri Aug 13 2004 - 22:16:30 PDT
Re: AMBER: Gaussian in RED
FyD
Fri Aug 13 2004 - 22:34:21 PDT
Re: AMBER: RED fails to read g94 output
FyD
Sat Aug 14 2004 - 01:26:33 PDT
Re: AMBER: RED fails to read g94 output
FyD
Sat Aug 14 2004 - 02:51:14 PDT
AMBER: simulated annealing
Lee SL
Sat Aug 14 2004 - 02:58:07 PDT
Re: AMBER: Angle parameters in phosphate groups
Seongeun Yang
Sat Aug 14 2004 - 03:40:54 PDT
RE: AMBER: simulated annealing
Lee SL
Sat Aug 14 2004 - 05:13:23 PDT
Re: AMBER: Moil-view, prmtop, inpcrd question
Carlos Simmerling
Sat Aug 14 2004 - 05:20:12 PDT
Re: AMBER: simulated annealing
Carlos Simmerling
Sat Aug 14 2004 - 14:55:59 PDT
AMBER: residue database
Lihua Wang
Sun Aug 15 2004 - 01:12:50 PDT
AMBER: About the Amber constraint constant
Yuhui Cheng
Sun Aug 15 2004 - 05:42:53 PDT
Re: AMBER: simulated annealing
nurul bahiyah
Sun Aug 15 2004 - 07:08:29 PDT
Re: AMBER: Angle parameters in phosphate groups
Guanglei Cui
Sun Aug 15 2004 - 15:59:51 PDT
Re: AMBER: Angle parameters in phosphate groups
David A. Case
Sun Aug 15 2004 - 16:07:11 PDT
Re: AMBER: About the Amber constraint constant
David A. Case
Sun Aug 15 2004 - 23:04:16 PDT
Re: AMBER: Angle parameters in phosphate groups
Seongeun Yang
Mon Aug 16 2004 - 02:20:20 PDT
AMBER: installing amber8
Dr Gavin Seddon
Mon Aug 16 2004 - 06:03:15 PDT
RE: AMBER: pmemd.
Osman Gani
Mon Aug 16 2004 - 06:16:15 PDT
AMBER: ANAL memory problem.
Osman Gani
Mon Aug 16 2004 - 07:33:21 PDT
Re: AMBER: pmemd.
Robert Duke
Mon Aug 16 2004 - 07:45:03 PDT
Re: AMBER: pmemd. - OOPS!!!
Robert Duke
Mon Aug 16 2004 - 09:27:02 PDT
Re: AMBER: pmemd.
David E. Konerding
Mon Aug 16 2004 - 10:14:38 PDT
Re: AMBER: question about compilation of AMBER8 on MANDRAKE9.2
Sarah Rankin
Mon Aug 16 2004 - 11:13:09 PDT
RE: AMBER: question about compilation of AMBER8 on MANDRAKE9.2
Ross Walker
Mon Aug 16 2004 - 11:17:35 PDT
Re: AMBER: Moil-view, prmtop, inpcrd question
opitz.che.udel.edu
Mon Aug 16 2004 - 11:45:08 PDT
Re: AMBER: Moil-view, prmtop, inpcrd question
Viktor Hornak
Mon Aug 16 2004 - 12:05:49 PDT
AMBER: temperature control in coupled potential runs
M. L. Dodson
Mon Aug 16 2004 - 12:18:50 PDT
Re: AMBER: Moil-view, prmtop, inpcrd question
opitz.che.udel.edu
Mon Aug 16 2004 - 12:26:27 PDT
Re: AMBER: Moil-view, prmtop, inpcrd question
Viktor Hornak
Mon Aug 16 2004 - 12:51:30 PDT
Re: AMBER: Moil-view, prmtop, inpcrd question
opitz.che.udel.edu
Mon Aug 16 2004 - 14:17:45 PDT
AMBER: Improving PMEMD performance on gigabit ethernet Linux clusters
Robert Duke
Mon Aug 16 2004 - 18:34:22 PDT
Re: AMBER: ANAL memory problem.
David A. Case
Mon Aug 16 2004 - 23:15:57 PDT
AMBER: Amber: Anal program format
Helios
Mon Aug 16 2004 - 23:34:24 PDT
Re: AMBER: About the Amber constraint constant
Yuhui Cheng
Tue Aug 17 2004 - 01:18:30 PDT
Re: AMBER: question about compilation of AMBER8 on MANDRAKE9.2
Sarah Rankin
Tue Aug 17 2004 - 12:15:30 PDT
AMBER: peoblemwith RED II
anshul.imtech.res.in
Tue Aug 17 2004 - 03:38:42 PDT
RE: AMBER: ANAL memory problem.
Osman Gani
Tue Aug 17 2004 - 05:42:33 PDT
AMBER: Improving PMEMD Performance on gigabit ethernet - CORRECTION
Robert Duke
Tue Aug 17 2004 - 08:08:04 PDT
Re: AMBER: About the Amber constraint constant
David A. Case
Tue Aug 17 2004 - 09:14:31 PDT
Re: AMBER: Amber: Anal program format
David A. Case
Tue Aug 17 2004 - 09:33:03 PDT
Re: AMBER: ANAL memory problem.
David A. Case
Tue Aug 17 2004 - 11:44:04 PDT
AMBER: leap: impose
Guanglei Cui
Tue Aug 17 2004 - 12:23:27 PDT
Re: AMBER: leap: impose
Guanglei Cui
Tue Aug 17 2004 - 13:15:27 PDT
Re: AMBER: leap: impose
Guanglei Cui
Tue Aug 17 2004 - 13:44:54 PDT
AMBER: RESP calculation with different multiplicities
Sebastian Fernandez Alberti
Tue Aug 17 2004 - 13:12:34 PDT
AMBER: turning off HB interactions
Taner E. Dirama
Tue Aug 17 2004 - 16:43:06 PDT
AMBER: Dr. Herman Von Grafenstein
Harsh Parikh
Tue Aug 17 2004 - 16:59:21 PDT
AMBER: mm-gbsa
Oliver Hucke
Tue Aug 17 2004 - 18:33:18 PDT
AMBER: intrinsic born radius of Br
Oliver Hucke
Thu Aug 19 2004 - 02:29:34 PDT
AMBER: thermal ellipsoid-DNA
RAJA SWAMINATHAN
Thu Aug 19 2004 - 05:31:21 PDT
AMBER: angle bending
Gustavo Pierdominici Sottile
Thu Aug 19 2004 - 08:05:23 PDT
AMBER: metal atoms in Xleap
Atilio Anzellotti
Thu Aug 19 2004 - 09:57:04 PDT
Re: AMBER: metal atoms in Xleap
Rhonda Torres
Thu Aug 19 2004 - 09:59:28 PDT
RE: AMBER: metal atoms in Xleap
Ross Walker
Thu Aug 19 2004 - 10:09:52 PDT
RE: AMBER: angle bending
Ross Walker
Thu Aug 19 2004 - 11:19:48 PDT
AMBER: how to read in CHARMM or AMBER binary trajectories
Grace Li
Thu Aug 19 2004 - 11:30:59 PDT
RE: AMBER: how to read in CHARMM or AMBER binary trajectories
Ross Walker
Thu Aug 19 2004 - 11:55:06 PDT
AMBER: can MM-PBSA be applied to Charmm format trajectory file?
jz7.duke.edu
Thu Aug 19 2004 - 12:02:50 PDT
RE: AMBER: can MM-PBSA be applied to Charmm format trajectory file?
Ross Walker
Thu Aug 19 2004 - 12:58:42 PDT
AMBER: mmpbsa question
Sébastien Osborne
Thu Aug 19 2004 - 15:58:44 PDT
AMBER: born radius and screening parameter for Br
Oliver Hucke
Fri Aug 20 2004 - 05:13:51 PDT
AMBER: questions on mm_pbsa
cailliez
Fri Aug 20 2004 - 11:43:51 PDT
Re: AMBER: metal atoms in Xleap
Atilio Anzellotti
Fri Aug 20 2004 - 11:52:23 PDT
AMBER: Updating Amber 7
Johnson Agbo
Fri Aug 20 2004 - 12:04:32 PDT
Re: AMBER: metal atoms in Xleap
Jiri Sponer
Fri Aug 20 2004 - 12:13:54 PDT
AMBER: mm_pbsa.pl in Amber8
Shan, Jufang
Fri Aug 20 2004 - 12:35:48 PDT
Re: AMBER: Atomic charges in Lactose
Johnson Agbo
Fri Aug 20 2004 - 12:43:31 PDT
AMBER: Minimization error
opitz.che.udel.edu
Fri Aug 20 2004 - 13:25:47 PDT
Re: AMBER: metal atoms in Xleap
Atilio Anzellotti
Fri Aug 20 2004 - 15:48:27 PDT
RE: AMBER: Minimization error
Ross Walker
Sat Aug 21 2004 - 04:59:46 PDT
Re: AMBER: questions on mm_pbsa
Thomas Steinbrecher
Sat Aug 21 2004 - 02:45:08 PDT
AMBER: Increasing MAXATOM in antechamber
Niko Jukarainen
Sat Aug 21 2004 - 08:07:10 PDT
Re: AMBER: Increasing MAXATOM in antechamber
Guanglei Cui
Sat Aug 21 2004 - 09:13:56 PDT
Re: AMBER: Increasing MAXATOM in antechamber
Niko Jukarainen
Mon Aug 23 2004 - 03:00:21 PDT
Re: AMBER: mm_pbsa.pl in Amber8
Sarah Rankin
Mon Aug 23 2004 - 10:59:30 PDT
AMBER: Sander : Vrand flag
sachin patil
Mon Aug 23 2004 - 11:20:15 PDT
RE: AMBER: Sander : Vrand flag
Ross Walker
Mon Aug 23 2004 - 12:07:32 PDT
RE: AMBER: Sander : Vrand flag
sachin patil
Mon Aug 23 2004 - 12:29:06 PDT
RE: AMBER: Sander : Vrand flag
Ross Walker
Mon Aug 23 2004 - 12:54:52 PDT
RE: AMBER: Sander : Vrand flag
sachin patil
Mon Aug 23 2004 - 13:43:14 PDT
AMBER: error estimates in AMBER
Grace Li
Mon Aug 23 2004 - 13:58:15 PDT
RE: AMBER: Sander : Vrand flag
Ross Walker
Mon Aug 23 2004 - 15:25:26 PDT
AMBER: NTT=0 and TAUTP
Gabbar Daaku
Mon Aug 23 2004 - 16:03:30 PDT
RE: AMBER: NTT=0 and TAUTP
Ross Walker
Mon Aug 23 2004 - 18:48:22 PDT
AMBER: how to deal with the initial structure?
hj zou
Mon Aug 23 2004 - 19:19:23 PDT
RE: AMBER: how to deal with the initial structure?
Ross Walker
Tue Aug 24 2004 - 07:52:05 PDT
AMBER: problem loading pdb in leap.
anshul.imtech.res.in
Mon Aug 23 2004 - 21:53:49 PDT
RE: AMBER: problem loading pdb in leap.
Ross Walker
Tue Aug 24 2004 - 09:34:58 PDT
RE: AMBER: problem loading pdb in leap.
anshul.imtech.res.in
Mon Aug 23 2004 - 23:30:46 PDT
RE: AMBER: problem loading pdb in leap.
Andrew Box
Tue Aug 24 2004 - 10:27:32 PDT
AMBER: freezing atoms in impliciti solvent
Sergio E. Wong
Tue Aug 24 2004 - 10:35:08 PDT
RE: AMBER: problem loading pdb in leap.
Ross Walker
Tue Aug 24 2004 - 10:54:58 PDT
Re: AMBER: freezing atoms in impliciti solvent
Carlos Simmerling
Tue Aug 24 2004 - 11:47:38 PDT
RE: AMBER: Sander : Vrand flag
Furse, Kristina Elisabet
Tue Aug 24 2004 - 12:29:39 PDT
Re: AMBER: how to deal with the initial structure?
Furse, Kristina Elisabet
Tue Aug 24 2004 - 13:42:19 PDT
AMBER: Trajectory file conversion between Amber & Charmm
CK Sim
Tue Aug 24 2004 - 14:09:15 PDT
Re: AMBER: Minimization error
opitz.che.udel.edu
Tue Aug 24 2004 - 16:51:17 PDT
RE: AMBER: Trajectory file conversion between Amber & Charmm
Ross Walker
Tue Aug 24 2004 - 16:56:47 PDT
AMBER: mutation of Tyr to Leu with TI
Oliver Hucke
Wed Aug 25 2004 - 00:17:34 PDT
Re: AMBER: mutation of Tyr to Leu with TI
Thomas Steinbrecher
Wed Aug 25 2004 - 06:51:47 PDT
AMBER: density calculation in AMBER output
Grace Li
Wed Aug 25 2004 - 07:03:41 PDT
AMBER: restart a MD after replacing molecules
cailliez
Wed Aug 25 2004 - 08:34:28 PDT
AMBER: Amber 8 - Energy Minimization Parameters
Nhat-hang Duong
Wed Aug 25 2004 - 09:02:31 PDT
RE: AMBER: Amber 8 - Energy Minimization Parameters
Ross Walker
Wed Aug 25 2004 - 10:11:02 PDT
RE: AMBER: density calculation in AMBER output
Ross Walker
Wed Aug 25 2004 - 10:23:13 PDT
RE: AMBER: Minimization error
Ross Walker
Wed Aug 25 2004 - 10:29:13 PDT
RE: AMBER: restart a MD after replacing molecules
Ross Walker
Wed Aug 25 2004 - 12:38:57 PDT
AMBER: Lennard-Jones particle simulation
Guanglei Cui
Wed Aug 25 2004 - 13:05:58 PDT
Re: AMBER: Lennard-Jones particle simulation
Thomas E. Cheatham, III
Wed Aug 25 2004 - 13:06:47 PDT
Re: AMBER: Lennard-Jones particle simulation
Carlos Simmerling
Wed Aug 25 2004 - 13:57:15 PDT
Re: AMBER: Lennard-Jones particle simulation
darden
Wed Aug 25 2004 - 13:26:56 PDT
RE: AMBER: Amber 8 - Energy Minimization Parameters
Nhat-hang Duong
Wed Aug 25 2004 - 13:55:24 PDT
Re: AMBER: Minimization error
opitz.che.udel.edu
Wed Aug 25 2004 - 14:11:37 PDT
Re: AMBER: Lennard-Jones particle simulation
Guanglei Cui
Wed Aug 25 2004 - 15:31:37 PDT
Re: AMBER: Lennard-Jones particle simulation
Piotr Cieplak
Wed Aug 25 2004 - 15:35:18 PDT
RE: AMBER: Minimization error
Ross Walker
Wed Aug 25 2004 - 16:46:36 PDT
AMBER: About tree structure of TRP residue
Yuhui Cheng
Wed Aug 25 2004 - 17:16:46 PDT
Re: AMBER: About tree structure of TRP residue
Lihua Wang
Wed Aug 25 2004 - 17:35:13 PDT
Re: AMBER: About tree structure of TRP residue
Yuhui Cheng
Wed Aug 25 2004 - 17:56:13 PDT
Re: AMBER: About tree structure of TRP residue
Bill Ross
Wed Aug 25 2004 - 20:11:36 PDT
AMBER: One more question about the tree structure of looping residues
Yuhui Cheng
Thu Aug 26 2004 - 01:38:55 PDT
Re: AMBER: restart a MD after replacing molecules
cailliez
Thu Aug 26 2004 - 02:50:39 PDT
AMBER: ptraj and hbond
Nelson Fonseca
Thu Aug 26 2004 - 13:38:44 PDT
AMBER: problem loading molecule in leap
anshul.imtech.res.in
Thu Aug 26 2004 - 06:28:24 PDT
AMBER: Amber8 - Floating point
Nhat-hang Duong
Thu Aug 26 2004 - 07:00:52 PDT
Re: AMBER: Amber8 - Floating point
Carlos Simmerling
Thu Aug 26 2004 - 07:15:00 PDT
Re: AMBER: Amber8 - Floating point
Nhat-hang Duong
Thu Aug 26 2004 - 07:25:31 PDT
Re: AMBER: Amber8 - Floating point
Carlos Simmerling
Thu Aug 26 2004 - 08:41:48 PDT
AMBER: question on minimization
Venkata S Koppuravuri
Thu Aug 26 2004 - 08:44:16 PDT
Re: AMBER: peoblemwith RED II
FyD
Thu Aug 26 2004 - 08:56:06 PDT
Re: AMBER: Amber8 - Floating point
Michael Crowley
Thu Aug 26 2004 - 09:51:28 PDT
Re: AMBER: Amber8 - Floating point
Nhat-hang Duong
Thu Aug 26 2004 - 10:43:08 PDT
AMBER: RESP charges in Fe+3 heme system
Sebastian Fernandez Alberti
Thu Aug 26 2004 - 11:09:18 PDT
Re: AMBER: RESP calculation with different multiplicities
FyD
Thu Aug 26 2004 - 11:31:23 PDT
Re: AMBER: One more question about the tree structure of looping residues
Bill Ross
Thu Aug 26 2004 - 11:33:09 PDT
Re: AMBER: RESP charges in Fe+3 heme system
FyD
Thu Aug 26 2004 - 11:57:43 PDT
AMBER: charge perturbation - xleap question
Oliver Hucke
Fri Aug 27 2004 - 00:19:25 PDT
Re: AMBER: charge perturbation - xleap question
Thomas Steinbrecher
Fri Aug 27 2004 - 02:57:51 PDT
AMBER: Biotin/streptavidin tutorial.
Osman Gani
Fri Aug 27 2004 - 03:02:37 PDT
Re: AMBER: peoblemwith RED II
FyD
Fri Aug 27 2004 - 04:51:00 PDT
AMBER: error for performing MD
tang kwa
Fri Aug 27 2004 - 08:23:08 PDT
AMBER: snapshots of MD trajectory
Xin Hu
Fri Aug 27 2004 - 08:27:20 PDT
Re: AMBER: snapshots of MD trajectory
Guanglei Cui
Fri Aug 27 2004 - 08:36:38 PDT
Re: AMBER: snapshots of MD trajectory
Carlos Simmerling
Fri Aug 27 2004 - 08:43:33 PDT
Re: AMBER: snapshots of MD trajectory
Peter Gannett
Fri Aug 27 2004 - 09:36:06 PDT
Re: AMBER: snapshots of MD trajectory
Xin Hu
Fri Aug 27 2004 - 10:07:21 PDT
AMBER: error of performing simulation
tang kwa
Fri Aug 27 2004 - 10:57:47 PDT
Re: AMBER: Biotin/streptavidin tutorial.
Bill Ross
Fri Aug 27 2004 - 12:38:44 PDT
Re: AMBER: snapshots of MD trajectory
Guanglei Cui
Fri Aug 27 2004 - 12:44:36 PDT
Re: AMBER: snapshots of MD trajectory
Carlos Simmerling
Fri Aug 27 2004 - 13:56:46 PDT
Re: AMBER: Minimization error
opitz.che.udel.edu
Fri Aug 27 2004 - 14:15:27 PDT
Re: AMBER: snapshots of MD trajectory
Xin Hu
Fri Aug 27 2004 - 15:58:18 PDT
AMBER: Neutral C and N termini.
tarek mahfouz
Sat Aug 28 2004 - 02:52:20 PDT
Re: AMBER: peoblemwith RED II
FyD
Sat Aug 28 2004 - 07:11:43 PDT
AMBER: nonpalar energy contribution-DMSO
Dalmaris, John
Sat Aug 28 2004 - 12:34:31 PDT
RE: AMBER: Minimization error
Ross Walker
Sat Aug 28 2004 - 23:19:18 PDT
AMBER: MD & net charge
bybaker.itsa.ucsf.edu
Sun Aug 29 2004 - 16:37:19 PDT
AMBER: Neutral C and N termini.
tarek mahfouz
Sun Aug 29 2004 - 19:14:10 PDT
Re: AMBER: Neutral C and N termini.
M. L. Dodson
Mon Aug 30 2004 - 01:01:05 PDT
AMBER: temperature scaling with ntt=3(Langevin thermostat)
Madalin Giambasu
Mon Aug 30 2004 - 06:21:36 PDT
Re: AMBER: temperature scaling with ntt=3(Langevin thermostat)
Carlos Simmerling
Mon Aug 30 2004 - 06:23:20 PDT
Re: AMBER: MD & net charge
Carlos Simmerling
Mon Aug 30 2004 - 06:28:46 PDT
Re: AMBER: MD & net charge
Chris Harrison
Mon Aug 30 2004 - 06:51:35 PDT
Re: AMBER: temperature scaling with ntt=3(Langevin thermostat)
Madalin Giambasu
Mon Aug 30 2004 - 06:41:21 PDT
Re: AMBER: MD & net charge
Carlos Simmerling
Mon Aug 30 2004 - 06:51:28 PDT
Re: AMBER: temperature scaling with ntt=3(Langevin thermostat)
Carlos Simmerling
Mon Aug 30 2004 - 07:47:55 PDT
Re: AMBER: temperature scaling with ntt=3(Langevin thermostat)
Madalin Giambasu
Mon Aug 30 2004 - 07:36:18 PDT
AMBER: Amber 03 Forcefield discrepancy
MD Tyka, Biochemistry
Mon Aug 30 2004 - 08:59:35 PDT
AMBER: Differences in RESP charges for G in RG and DG residues
Vlad Cojocaru
Mon Aug 30 2004 - 11:16:21 PDT
Re: AMBER: Amber 03 Forcefield discrepancy
Yong Duan
Mon Aug 30 2004 - 13:48:00 PDT
Re: AMBER: MD & net charge
bybaker.itsa.ucsf.edu
Mon Aug 30 2004 - 13:57:50 PDT
Re: AMBER: MD & net charge
Carlos Simmerling
Mon Aug 30 2004 - 12:54:46 PDT
AMBER:
jwcraft.uh.edu
Mon Aug 30 2004 - 14:33:38 PDT
Re: AMBER:
Bill Ross
Mon Aug 30 2004 - 15:02:53 PDT
Re: AMBER: MD & net charge
bybaker.itsa.ucsf.edu
Mon Aug 30 2004 - 18:12:17 PDT
AMBER: Glycam-04 Parameters in Amber 7
Johnson Agbo
Mon Aug 30 2004 - 23:50:09 PDT
AMBER: parm94
bybaker.itsa.ucsf.edu
Tue Aug 31 2004 - 03:54:26 PDT
AMBER: Using AMBER to simulate carbon nanotubes?
Chen Song
Tue Aug 31 2004 - 06:12:58 PDT
Re: AMBER: parm94
Asim Okur
Tue Aug 31 2004 - 07:15:37 PDT
RE: AMBER: Sander : Vrand flag
sachin patil
Tue Aug 31 2004 - 08:43:56 PDT
Re: AMBER: Using AMBER to simulate carbon nanotubes?
darden
Tue Aug 31 2004 - 09:06:46 PDT
AMBER: Increase lastrst in the &cntrl namelist
Sichun Yang
Tue Aug 31 2004 - 09:21:00 PDT
Re: AMBER: parm94
bybaker.itsa.ucsf.edu
Tue Aug 31 2004 - 13:27:26 PDT
AMBER: PBC in sander
Mingfeng Yang
Tue Aug 31 2004 - 14:16:15 PDT
AMBER: Pulling versus Distance Restraints
Nhat-hang Duong
Tue Aug 31 2004 - 15:15:04 PDT
Re: AMBER: parm94
bybaker.itsa.ucsf.edu
Tue Aug 31 2004 - 15:22:29 PDT
Re: AMBER: parm94
Lihua Wang
Tue Aug 31 2004 - 18:57:39 PDT
Re: AMBER: parm94
bybaker.itsa.ucsf.edu
Tue Aug 31 2004 - 20:56:27 PDT
Re: AMBER:
David A. Case
Tue Aug 31 2004 - 20:57:49 PDT
Re: AMBER: PBC in sander
David A. Case
Tue Aug 31 2004 - 21:00:46 PDT
Re: AMBER: Updating Amber 7
David A. Case
Tue Aug 31 2004 - 21:43:01 PDT
Re: AMBER: temperature scaling with ntt=3(Langevin thermostat)
David A. Case
Tue Aug 31 2004 - 21:53:20 PDT
Re: AMBER: Increase lastrst in the &cntrl namelist
David A. Case
Tue Aug 31 2004 - 23:29:27 PDT
Re: AMBER: Increase lastrst in the &cntrl namelist
Sichun Yang
Last message date
:
Thu Sep 02 2004 - 01:15:13 PDT
Archived on
: Wed Mar 17 2010 - 05:59:40 PDT
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