Amber Archive Dec 2004 by thread
213 messages
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Starting
Wed Dec 01 2004 - 08:53:00 PST,
Ending
Fri Dec 31 2004 - 17:53:00 PST
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AMBER: FEP along a reaction coordinate in sander
Tomasz Borowski
(Wed Dec 01 2004 - 00:46:54 PST)
Re: AMBER: FEP along a reaction coordinate in sander
Masataka Nagaoka
(Wed Dec 01 2004 - 04:05:01 PST)
Re: AMBER: FEP along a reaction coordinate in sander
David A. Case
(Wed Dec 01 2004 - 09:38:45 PST)
Re: AMBER: Implicit 4r md
Stefano.Pieraccini.unimi.it
(Wed Dec 01 2004 - 00:52:27 PST)
Re: AMBER: Implicit 4r md
yen li
(Thu Dec 02 2004 - 21:14:06 PST)
Re: AMBER: Implicit 4r md
David A. Case
(Fri Dec 03 2004 - 08:48:00 PST)
Re: AMBER: Leap & x86_64 / PGI (was: xleap solvatebox/oct problem)
David A. Case
(Wed Dec 01 2004 - 09:44:12 PST)
(long) Re: AMBER: Leap & x86_64 / PGI (was: xleap solvatebox/oct problem)
Tru Huynh
(Thu Dec 02 2004 - 12:00:17 PST)
AMBER: question about parallel simulation
qlu.notes.cc.sunysb.edu
(Wed Dec 01 2004 - 11:17:43 PST)
RE: AMBER: question about parallel simulation
Ross Walker
(Wed Dec 01 2004 - 12:40:19 PST)
RE: AMBER: question about parallel simulation
qlu.notes.cc.sunysb.edu
(Wed Dec 01 2004 - 15:38:01 PST)
RE: AMBER: question about parallel simulation
Ross Walker
(Wed Dec 01 2004 - 17:00:33 PST)
RE: AMBER: question about parallel simulation
qlu.notes.cc.sunysb.edu
(Thu Dec 02 2004 - 12:30:28 PST)
RE: AMBER: question about parallel simulation
qlu.notes.cc.sunysb.edu
(Thu Dec 02 2004 - 13:28:43 PST)
RE: AMBER: question about parallel simulation
Ross Walker
(Thu Dec 02 2004 - 14:37:12 PST)
AMBER: Re: INSTALLATION GUIDE FOR IFORT AND AMBER8 IN LINUX SUSE 9.1 ....Re: AMBER: SUSE 9.1 and AMBER 8
Ilyas Yildirim
(Wed Dec 01 2004 - 13:12:49 PST)
Re: AMBER: Re: INSTALLATION GUIDE FOR IFORT AND AMBER8 IN LINUX SUSE 9.1 ....Re: AMBER: SUSE 9.1 and AMBER 8
Cenk Andac
(Wed Dec 01 2004 - 19:04:31 PST)
AMBER: ntt parameter
tang kwa
(Wed Dec 01 2004 - 13:32:22 PST)
Re: AMBER: ntt parameter
David A. Case
(Wed Dec 01 2004 - 16:14:30 PST)
Re: AMBER: ntt parameter
David Smith
(Thu Dec 02 2004 - 02:30:01 PST)
Re: AMBER: ntt parameter
Ross Walker
(Thu Dec 02 2004 - 23:11:31 PST)
Re: AMBER: increasing the maximum value of NPHB parameter
Alena Shmygelska
(Wed Dec 01 2004 - 23:42:44 PST)
AMBER: restrainted torsion
tang kwa
(Thu Dec 02 2004 - 05:18:43 PST)
Re: AMBER: restrainted torsion
David A. Case
(Thu Dec 02 2004 - 11:12:19 PST)
Re: AMBER: extracting energy from trajector?
MURAT CETINKAYA
(Thu Dec 02 2004 - 12:56:47 PST)
Re: AMBER: extracting energy from trajector?
David Smith
(Thu Dec 02 2004 - 13:30:59 PST)
AMBER: nmode & mm-pbsa
Shekter, Lee
(Thu Dec 02 2004 - 18:50:45 PST)
AMBER: Residue Loading Problem
Garhan Attebury
(Thu Dec 02 2004 - 22:20:51 PST)
Re: AMBER: Residue Loading Problem
Furse, Kristina Elisabet
(Thu Dec 02 2004 - 23:23:05 PST)
Re: AMBER: Residue Loading Problem
david.evans.ulsop.ac.uk
(Fri Dec 03 2004 - 01:41:13 PST)
Re: AMBER: Residue Loading Problem
David A. Case
(Thu Dec 16 2004 - 18:10:43 PST)
AMBER: Dielectric Constant
Marsita M
(Sat Dec 04 2004 - 03:42:36 PST)
Re: AMBER: Dielectric Constant
David A. Case
(Sat Dec 04 2004 - 15:15:10 PST)
Re: AMBER: Dielectric Constant
Bill Ross
(Sat Dec 04 2004 - 12:22:33 PST)
AMBER: one question about dielectric dependent model
Xiaowei (David) Li
(Sun Dec 05 2004 - 09:42:56 PST)
AMBER: Compiling Antechamber/Amber8 with ia64_ifort
Toru Yagi
(Sun Dec 05 2004 - 22:25:02 PST)
Re: AMBER: Compiling Antechamber/Amber8 with ia64_ifort
Andreas Svrcek-Seiler
(Mon Dec 06 2004 - 00:56:34 PST)
Re: AMBER: Compiling Antechamber/Amber8 with ia64_ifort
Jack Lei
(Mon Dec 06 2004 - 07:11:05 PST)
AMBER: strange bond energies
Magne Olufsen
(Mon Dec 06 2004 - 05:42:16 PST)
Re: AMBER: strange bond energies
Carlos Simmerling
(Mon Dec 06 2004 - 06:22:10 PST)
AMBER:
Wanxin Sun
(Mon Dec 06 2004 - 07:06:25 PST)
Re: AMBER:
David A. Case
(Wed Dec 08 2004 - 11:49:41 PST)
AMBER: md's
yen li
(Mon Dec 06 2004 - 08:08:07 PST)
AMBER: cut-off & MD
bybaker.itsa.ucsf.edu
(Mon Dec 06 2004 - 12:49:04 PST)
RE: AMBER: cut-off & MD
Ross Walker
(Mon Dec 06 2004 - 13:17:30 PST)
AMBER: converting from NAMD trajectory format
Stern, Julie
(Mon Dec 06 2004 - 15:02:49 PST)
Re: AMBER: converting from NAMD trajectory format
Thomas E. Cheatham, III
(Wed Dec 08 2004 - 16:53:50 PST)
AMBER: FW: two processor amd 64 bit pc
Spero Manolatos
(Mon Dec 06 2004 - 17:36:33 PST)
RE: AMBER: FW: two processor amd 64 bit pc
Ross Walker
(Mon Dec 06 2004 - 19:17:41 PST)
AMBER: (no subject)
Andrew Box
(Mon Dec 06 2004 - 19:32:52 PST)
Re: AMBER: (no subject)
David A. Case
(Tue Dec 07 2004 - 05:00:49 PST)
AMBER: install problem
Kevin Murphy
(Tue Dec 07 2004 - 02:23:11 PST)
Re: AMBER: install problem
David A. Case
(Tue Dec 07 2004 - 05:03:12 PST)
AMBER: Gigabit Ethernet Switch/Opteron 246
jianhui wu
(Tue Dec 07 2004 - 09:09:11 PST)
RE: AMBER: Gigabit Ethernet Switch/Opteron 246
Ross Walker
(Tue Dec 07 2004 - 10:11:24 PST)
AMBER: 1-4 EEL
tang kwa
(Tue Dec 07 2004 - 09:12:54 PST)
Re: AMBER: 1-4 EEL
David A. Case
(Wed Dec 08 2004 - 10:13:08 PST)
AMBER: imin=5 in sander
MURAT CETINKAYA
(Tue Dec 07 2004 - 11:07:34 PST)
Re: AMBER: imin=5 in sander
Carlos Simmerling
(Mon Dec 06 2004 - 17:52:14 PST)
Re: AMBER: imin=5 in sander
Asim Okur
(Tue Dec 07 2004 - 12:44:52 PST)
Re: AMBER: imin=5 in sander
Asim Okur
(Tue Dec 07 2004 - 12:47:38 PST)
AMBER: question about mmpbsa
xhu1.memphis.edu
(Tue Dec 07 2004 - 17:20:19 PST)
Re: AMBER: question about mmpbsa
cailliez
(Wed Dec 08 2004 - 10:23:01 PST)
Re: AMBER: question about mmpbsa
xhu1.memphis.edu
(Wed Dec 08 2004 - 14:23:27 PST)
AMBER: NMR constraint problem
Andrew Box
(Tue Dec 07 2004 - 19:06:02 PST)
Re: AMBER: NMR constraint problem
David A. Case
(Wed Dec 08 2004 - 10:08:11 PST)
Re: AMBER: NMR constraint problem
John Bushnell
(Wed Dec 08 2004 - 12:39:32 PST)
AMBER: Why the surface calculations sometimes fail?
hj zou
(Tue Dec 07 2004 - 22:53:09 PST)
Re: AMBER: Why the surface calculations sometimes fail?
David A. Case
(Wed Dec 08 2004 - 11:52:29 PST)
Re: Re: AMBER: Why the surface calculations sometimes fail?
hj zou
(Wed Dec 08 2004 - 17:58:19 PST)
Re: Re: AMBER: Why the surface calculations sometimes fail?
David A. Case
(Mon Dec 13 2004 - 18:29:17 PST)
Re: Re: Re: AMBER: Why the surface calculations sometimes fail?
hj zou
(Wed Dec 15 2004 - 20:12:59 PST)
Re: Re: Re: AMBER: Why the surface calculations sometimes fail?
David A. Case
(Thu Dec 16 2004 - 09:32:29 PST)
AMBER: some questions....
Germán Sciaini
(Wed Dec 08 2004 - 08:49:55 PST)
Re: AMBER: some questions....
David A. Case
(Wed Dec 08 2004 - 10:04:13 PST)
AMBER: calculate ligand's rmsd
Yong Xu
(Wed Dec 08 2004 - 22:11:15 PST)
RE: AMBER: calculate ligand's rmsd
Ross Walker
(Wed Dec 08 2004 - 22:00:30 PST)
AMBER: Implicit Solvent Models
Nelson Fonseca
(Thu Dec 09 2004 - 04:02:10 PST)
Re: AMBER: Implicit Solvent Models
David A. Case
(Fri Dec 10 2004 - 08:51:12 PST)
AMBER: pbsa error in mm_pbsa amber 8
Ben Cossins
(Thu Dec 09 2004 - 06:58:19 PST)
Re: AMBER: pbsa error in mm_pbsa amber 8
Ben Cossins
(Thu Dec 09 2004 - 07:19:20 PST)
Re: AMBER: pbsa error in mm_pbsa amber 8
david.evans.ulsop.ac.uk
(Thu Dec 09 2004 - 08:15:52 PST)
Re: AMBER: pbsa error in mm_pbsa amber 8
Ben Cossins
(Fri Dec 10 2004 - 05:05:33 PST)
Re: AMBER: pbsa error in mm_pbsa amber 8
Ray Luo
(Fri Dec 10 2004 - 13:36:53 PST)
Re: AMBER: pbsa error in mm_pbsa amber 8
Ben Cossins
(Tue Dec 14 2004 - 05:41:08 PST)
Re: AMBER: pbsa error in mm_pbsa amber 8
david.evans.ulsop.ac.uk
(Tue Dec 14 2004 - 07:28:24 PST)
Re: AMBER: pbsa error in mm_pbsa amber 8
Ray Luo
(Tue Dec 14 2004 - 22:17:01 PST)
Re: AMBER: pbsa error in mm_pbsa amber 8
Ben Cossins
(Wed Dec 15 2004 - 04:04:50 PST)
Re: AMBER: pbsa error in mm_pbsa amber 8
Ray Luo
(Thu Dec 16 2004 - 15:58:29 PST)
Re: AMBER: pbsa error in mm_pbsa amber 8
Ray Luo
(Fri Dec 10 2004 - 10:17:07 PST)
AMBER: No radius found for 2412 Zn Zn
Yong Xu
(Thu Dec 09 2004 - 23:13:37 PST)
Re: AMBER: No radius found for 2412 Zn Zn
Holger Gohlke
(Fri Dec 10 2004 - 00:21:45 PST)
Re: AMBER: No radius found for 2412 Zn Zn
Jack Lei
(Fri Dec 10 2004 - 06:49:53 PST)
Re: Re: AMBER: No radius found for 2412 Zn Zn
Yong Xu
(Fri Dec 10 2004 - 01:15:14 PST)
Re: AMBER: No radius found for 2412 Zn Zn
Holger Gohlke
(Fri Dec 10 2004 - 02:22:19 PST)
Re: Re: AMBER: No radius found for 2412 Zn Zn
Yong Xu
(Fri Dec 10 2004 - 21:53:18 PST)
AMBER: how to prepare Zn.lib
Yong Xu
(Thu Dec 09 2004 - 23:50:16 PST)
RE: AMBER: how to prepare Zn.lib
Ross Walker
(Fri Dec 10 2004 - 10:29:24 PST)
AMBER: question about md's
yen li
(Fri Dec 10 2004 - 07:27:39 PST)
AMBER: question about MGB and PB
xhu1.memphis.edu
(Fri Dec 10 2004 - 14:12:30 PST)
AMBER: Workshop 2004, Tutorial #6, QMMM MD Simulation
Ilyas Yildirim
(Mon Dec 13 2004 - 20:34:34 PST)
RE: AMBER: Workshop 2004, Tutorial #6, QMMM MD Simulation
Ross Walker
(Tue Dec 14 2004 - 09:53:58 PST)
RE: AMBER: Workshop 2004, Tutorial #6, QMMM MD Simulation
Ilyas Yildirim
(Wed Dec 15 2004 - 16:47:05 PST)
AMBER: Free Energy Perturbation using Sander (TI Method)
Ilyas Yildirim
(Wed Dec 15 2004 - 18:43:09 PST)
AMBER: General Question about AMBER's Free Energy Perturbation Method
Ilyas Yildirim
(Wed Dec 15 2004 - 20:13:07 PST)
Re: AMBER: General Question about AMBER's Free Energy Perturbation Method
David A. Case
(Wed Dec 15 2004 - 23:03:18 PST)
Re: AMBER: General Question about AMBER's Free Energy Perturbation Method
Ilyas Yildirim
(Fri Dec 17 2004 - 13:53:07 PST)
Re: AMBER: General Question about AMBER's Free Energy Perturbation Method
David A. Case
(Fri Dec 17 2004 - 15:26:34 PST)
AMBER: Why the charge is not an integer?
mmv
(Sun Dec 12 2004 - 01:44:36 PST)
Re: AMBER: Why the charge is not an integer?
Guanglei Cui
(Sun Dec 12 2004 - 08:21:32 PST)
Re: AMBER: Why the charge is not an integer?
FyD
(Sun Dec 12 2004 - 11:47:02 PST)
Re: AMBER: Why the charge is not an integer?
David A. Case
(Sun Dec 12 2004 - 13:05:57 PST)
RE: AMBER: Why the charge is not an integer?
Ross Walker
(Mon Dec 13 2004 - 10:15:13 PST)
AMBER: Why the charge is not an integer?
Annette Höglund
(Mon Dec 13 2004 - 23:39:11 PST)
Re: AMBER: Why the charge is not an integer?
John Mongan
(Tue Dec 14 2004 - 19:10:49 PST)
AMBER: Binding free energy from separate/single trajectory
yuann
(Sun Dec 12 2004 - 21:01:17 PST)
AMBER: ptraj hbond memory allocation on opteron
Fabian Boes
(Mon Dec 13 2004 - 04:07:11 PST)
Re: AMBER: ptraj hbond memory allocation on opteron
Andreas Svrcek-Seiler
(Mon Dec 13 2004 - 08:07:25 PST)
Re: AMBER: ptraj hbond memory allocation on opteron
Fabian Boes
(Tue Dec 14 2004 - 06:33:42 PST)
AMBER: cobalt parameters
Peter Gannett
(Mon Dec 13 2004 - 17:21:50 PST)
AMBER: entropy implementation in ptraj
Raik Grünberg
(Tue Dec 14 2004 - 09:37:18 PST)
Re: AMBER: entropy implementation in ptraj
David A. Case
(Wed Dec 15 2004 - 10:07:50 PST)
Re: AMBER: entropy implementation in ptraj
Raik Grünberg
(Fri Dec 17 2004 - 06:44:13 PST)
Re: AMBER: entropy implementation in ptraj
David A. Case
(Fri Dec 17 2004 - 08:11:29 PST)
AMBER: Compiling question
Yanze Zhang
(Tue Dec 14 2004 - 11:27:53 PST)
Re: AMBER: Compiling question
David A. Case
(Tue Dec 14 2004 - 11:33:34 PST)
Re: AMBER: Compiling question
James W. Caldwell
(Tue Dec 14 2004 - 12:10:19 PST)
RE: AMBER: Compiling question
Ross Walker
(Tue Dec 14 2004 - 11:44:27 PST)
Re: AMBER: Compiling question
Robert Duke
(Tue Dec 14 2004 - 11:51:20 PST)
Re: AMBER: Compiling question
Yanze Zhang
(Tue Dec 14 2004 - 12:11:07 PST)
AMBER: Ewald
tang kwa
(Wed Dec 15 2004 - 08:31:41 PST)
Re: AMBER: Ewald
David A. Case
(Wed Dec 15 2004 - 10:17:04 PST)
AMBER: unknown elements
Youyi Peng
(Wed Dec 15 2004 - 08:33:54 PST)
Re: AMBER: unknown elements
David A. Case
(Wed Dec 15 2004 - 10:00:32 PST)
AMBER: mm_pbsa
Carsten Detering
(Wed Dec 15 2004 - 13:57:13 PST)
AMBER: About MM/PBSA, PB Calculation
nlxc
(Wed Dec 15 2004 - 15:11:29 PST)
Re: AMBER: About MM/PBSA, PB Calculation
David A. Case
(Thu Dec 16 2004 - 09:38:32 PST)
Re: AMBER: About MM/PBSA, PB Calculation
nlxc
(Thu Dec 16 2004 - 14:31:13 PST)
AMBER: sander imin=5
MURAT CETINKAYA
(Thu Dec 16 2004 - 00:01:45 PST)
AMBER: nmode problem
Yong Xu
(Thu Dec 16 2004 - 20:16:23 PST)
AMBER: Question concerning ANAL total energy calculation
Daniel Wetzler
(Fri Dec 17 2004 - 04:04:05 PST)
Re: AMBER: Question concerning ANAL total energy calculation
David A. Case
(Fri Dec 17 2004 - 07:58:49 PST)
Re: AMBER: Question concerning ANAL total energy calculation
Daniel Wetzler
(Sat Dec 18 2004 - 01:33:26 PST)
Re: AMBER: Question concerning ANAL total energy calculation
David A. Case
(Sat Dec 18 2004 - 08:50:01 PST)
Re: AMBER: Question concerning ANAL total energy calculation
Daniel Wetzler
(Mon Dec 20 2004 - 13:15:12 PST)
Re: AMBER: Question concerning ANAL total energy calculation
David A. Case
(Mon Dec 20 2004 - 14:10:08 PST)
AMBER: MD: Water network analysis + visualization
Sanjeev B.S.
(Fri Dec 17 2004 - 10:23:22 PST)
AMBER: nanotube parameters
MURAT CETINKAYA
(Fri Dec 17 2004 - 12:28:24 PST)
Re: AMBER: nanotube parameters
David A. Case
(Fri Dec 17 2004 - 15:34:31 PST)
Re: AMBER: nanotube parameters
Andreas Svrcek-Seiler
(Mon Dec 20 2004 - 02:02:56 PST)
Re: AMBER: nanotube parameters
Bill Ross
(Fri Dec 17 2004 - 13:52:13 PST)
AMBER: Kinetics energy
Germán Sciaini
(Sat Dec 18 2004 - 09:54:04 PST)
Re: AMBER: Kinetics energy
Carlos Simmerling
(Sat Dec 18 2004 - 11:07:11 PST)
Re: AMBER: Kinetics energy
Andreas Svrcek-Seiler
(Mon Dec 20 2004 - 02:11:10 PST)
AMBER: Question on tleap of amber8
Okimoto Noriaki
(Mon Dec 20 2004 - 01:00:38 PST)
Re: AMBER: Question on tleap of amber8
David A. Case
(Mon Dec 20 2004 - 09:27:07 PST)
AMBER: constraints on atoms
cailliez
(Mon Dec 20 2004 - 03:06:19 PST)
Re: AMBER: constraints on atoms
David A. Case
(Tue Dec 21 2004 - 09:12:55 PST)
AMBER: Ideal bonds and angles
Nhat-hang Duong
(Tue Dec 21 2004 - 09:49:38 PST)
Re: AMBER: Ideal bonds and angles
David A. Case
(Tue Dec 21 2004 - 10:52:15 PST)
AMBER: Sander TI
Cai, Yufeng
(Mon Dec 20 2004 - 10:11:29 PST)
Re: AMBER: Sander TI
David A. Case
(Tue Dec 21 2004 - 08:15:50 PST)
AMBER: parameter development
Sebastian Fernandez Alberti
(Mon Dec 20 2004 - 11:34:42 PST)
Re: AMBER: parameter development
David A. Case
(Tue Dec 21 2004 - 08:53:19 PST)
AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules
Jianwen Jiang
(Mon Dec 20 2004 - 16:18:52 PST)
Re: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules
Ilyas Yildirim
(Mon Dec 20 2004 - 16:42:29 PST)
RE: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules
Ross Walker
(Mon Dec 20 2004 - 16:55:17 PST)
Re: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules
Jianwen Jiang
(Tue Dec 21 2004 - 14:30:47 PST)
RE: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules
Ross Walker
(Tue Dec 21 2004 - 21:26:48 PST)
Re: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules
Jianwen Jiang
(Wed Dec 22 2004 - 12:01:40 PST)
Re: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules
David A. Case
(Wed Dec 22 2004 - 13:50:00 PST)
Re: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules
Jianwen Jiang
(Wed Dec 22 2004 - 13:59:47 PST)
Re: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules
David A. Case
(Wed Dec 22 2004 - 16:39:57 PST)
Re: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules
Bill Ross
(Tue Dec 21 2004 - 14:57:13 PST)
Re: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules
Jianwen Jiang
(Tue Dec 21 2004 - 18:22:00 PST)
AMBER: cluster analysis with ptraj in amber 8.0
Eric Hu
(Mon Dec 20 2004 - 18:01:26 PST)
Re: AMBER: cluster analysis with ptraj in amber 8.0
David Smith
(Tue Dec 21 2004 - 00:47:46 PST)
AMBER: Dummy torsion paramters for thermodynamic integration
Thomas Steinbrecher
(Tue Dec 21 2004 - 00:25:31 PST)
Re: AMBER: Dummy torsion paramters for thermodynamic integration
David A. Case
(Tue Dec 21 2004 - 07:49:29 PST)
AMBER: a question
Germán Sciaini
(Tue Dec 21 2004 - 06:10:14 PST)
Re: AMBER: a question
David A. Case
(Tue Dec 21 2004 - 14:07:51 PST)
AMBER: nrespa=2
Marsita M
(Tue Dec 21 2004 - 07:19:58 PST)
Re: AMBER: nrespa=2
David A. Case
(Tue Dec 21 2004 - 07:52:53 PST)
Re: AMBER: nrespa=2
Carlos Simmerling
(Tue Dec 21 2004 - 07:54:15 PST)
AMBER: TFE parameters
Adrian E. Roitberg
(Tue Dec 21 2004 - 12:34:29 PST)
AMBER: Output of sander
Harianto
(Wed Dec 22 2004 - 08:09:37 PST)
Re: AMBER: Output of sander
David A. Case
(Wed Dec 22 2004 - 09:35:27 PST)
Re: AMBER: Output of sander
Harianto
(Thu Dec 23 2004 - 12:36:27 PST)
Re: AMBER: Output of sander
David A. Case
(Thu Dec 23 2004 - 13:35:49 PST)
AMBER: energy unit
Chen Song
(Wed Dec 22 2004 - 21:20:00 PST)
Re: AMBER: energy unit
Harianto
(Thu Dec 23 2004 - 08:25:32 PST)
AMBER: amber7 on digital unix
anshul.imtech.res.in
(Thu Dec 23 2004 - 14:23:15 PST)
Re: AMBER: amber7 on digital unix
David A. Case
(Thu Dec 23 2004 - 08:18:46 PST)
Re: AMBER: amber7 on digital unix
anshul.imtech.res.in
(Thu Dec 23 2004 - 19:15:47 PST)
Re: AMBER: amber7 on digital unix
David A. Case
(Thu Dec 23 2004 - 10:26:55 PST)
AMBER: Molecular modelling.
Osman Gani
(Thu Dec 23 2004 - 06:44:05 PST)
Re: AMBER: Molecular modelling.
David A. Case
(Thu Dec 23 2004 - 18:03:50 PST)
AMBER: RMSD of ligand
Yong Xu
(Thu Dec 23 2004 - 16:26:14 PST)
AMBER: mm_gbsa results for charged ligands
Cenk Andac
(Fri Dec 24 2004 - 01:50:10 PST)
Re: AMBER: mm_gbsa results for charged ligands
Holger Gohlke
(Fri Dec 24 2004 - 02:31:22 PST)
AMBER: Problem with computing Resp charges using RED
Cenk Andac
(Sat Dec 25 2004 - 07:54:54 PST)
Re: AMBER: Problem with computing Resp charges using RED
FyD
(Wed Dec 29 2004 - 12:54:05 PST)
Re: AMBER: Problem with computing Resp charges using RED
Cenk Andac
(Thu Dec 30 2004 - 09:30:34 PST)
AMBER: Dummy Atoms: How to create them?
Ilyas Yildirim
(Thu Dec 30 2004 - 17:23:02 PST)
Re: AMBER: Dummy Atoms: How to create them?
David A. Case
(Thu Dec 30 2004 - 19:55:59 PST)
AMBER: input conversion error [Amber8]
Bimo Ario Tejo
(Tue Dec 28 2004 - 21:15:58 PST)
AMBER: NSCM
Alberto p
(Wed Dec 29 2004 - 04:07:48 PST)
AMBER: MM_PBSA calculations
Jiten
(Wed Dec 29 2004 - 23:22:25 PST)
AMBER: MM_PBSA calculation error
Jiten
(Thu Dec 30 2004 - 02:57:30 PST)
AMBER: MD simulations on heparin and heparin sulfate
Harald Lanig
(Thu Dec 30 2004 - 08:23:24 PST)
AMBER: How is optimization done during energy minimization of the force field?
fangyu liang
(Thu Dec 30 2004 - 21:11:28 PST)
Re: AMBER: How is optimization done during energy minimization of the force field?
myang
(Fri Dec 31 2004 - 08:49:58 PST)
AMBER: mm_pbsa +fillratio
Jiten
(Fri Dec 31 2004 - 01:31:57 PST)
Last message date
:
Fri Dec 31 2004 - 17:53:00 PST
Archived on
: Wed Dec 25 2024 - 05:53:25 PST
213 messages
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