Amber Archive Jan 2008 by thread
310 messages
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Starting
Wed Jan 02 2008 - 06:07:27 PST,
Ending
Sun Feb 03 2008 - 06:07:20 PST
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AMBER: ff03-compatible parameters/charges for phosphothreonine and phosphotyrosine
John Chodera
(Tue Jan 01 2008 - 17:44:34 PST)
Re: AMBER: ff03-compatible parameters/charges for phosphothreonine and phosphotyrosine
FyD
(Wed Jan 02 2008 - 00:52:15 PST)
Re: AMBER: ff03-compatible parameters/charges for phosphothreonine and phosphotyrosine
FyD
(Fri Jan 04 2008 - 02:34:00 PST)
Re: AMBER: a question of ptraj
WANG,YING
(Wed Jan 02 2008 - 10:04:24 PST)
AMBER: Help reg. input file
snoze pa
(Wed Jan 02 2008 - 10:34:56 PST)
Re: AMBER: Help reg. input file
FyD
(Wed Jan 02 2008 - 11:34:40 PST)
Re: AMBER: Help reg. input file
snoze pa
(Wed Jan 02 2008 - 11:50:50 PST)
Re: AMBER: Help reg. input file
FyD
(Wed Jan 02 2008 - 12:21:03 PST)
AMBER: AMBER-8 parallel installation - test run failure
brmeher.iitg.ernet.in
(Thu Jan 03 2008 - 02:10:58 PST)
Re: AMBER: AMBER-8 parallel installation - test run failure
Ming Lei
(Thu Jan 03 2008 - 06:08:46 PST)
AMBER: question about antechamber
Lynn
(Thu Jan 03 2008 - 06:32:56 PST)
Re: AMBER: question about antechamber
Junmei Wang
(Thu Jan 03 2008 - 07:18:34 PST)
AMBER: Thermodynamic integration with positional restraint?
Cen Gao
(Thu Jan 03 2008 - 08:43:32 PST)
Re: AMBER: Thermodynamic integration with positional restraint?
David A. Case
(Thu Jan 03 2008 - 09:31:19 PST)
AMBER: Combine mdcrd files
Francesco Pietra
(Thu Jan 03 2008 - 15:01:47 PST)
Re: AMBER: Combine mdcrd files
Carlos Simmerling
(Thu Jan 03 2008 - 15:09:23 PST)
RE: AMBER: Combine mdcrd files
Ross Walker
(Fri Jan 04 2008 - 08:35:23 PST)
AMBER: MM-PBSA problem
stephane acoca
(Thu Jan 03 2008 - 19:45:10 PST)
Re: AMBER: MM-PBSA problem
Jack Lei
(Fri Jan 04 2008 - 17:31:05 PST)
Re: AMBER: MM-PBSA problem
David A. Case
(Fri Jan 04 2008 - 18:07:07 PST)
AMBER: check COM velocity
Pankaj R. Daga
(Fri Jan 04 2008 - 08:06:26 PST)
Re: AMBER: check COM velocity
David A. Case
(Fri Jan 04 2008 - 08:29:09 PST)
Re: AMBER: check COM velocity
Lars Skjærven
(Fri Jan 04 2008 - 08:36:53 PST)
AMBER: Combine mdcrd
Francesco Pietra
(Fri Jan 04 2008 - 08:37:07 PST)
Re: AMBER: Combine mdcrd
Carlos Simmerling
(Fri Jan 04 2008 - 08:44:55 PST)
Re: AMBER: Combine mdcrd
Francesco Pietra
(Fri Jan 04 2008 - 09:07:15 PST)
AMBER: FW: AMBER vs Gaussian : zero VDW parameters?
Ross Walker
(Fri Jan 04 2008 - 09:01:14 PST)
Fwd: Re: AMBER: Combine mdcrd
Francesco Pietra
(Fri Jan 04 2008 - 09:23:45 PST)
Re: Re: AMBER: Combine mdcrd
Carlos Simmerling
(Fri Jan 04 2008 - 09:30:31 PST)
Fwd: Re: AMBER: Combine mdcrd
Francesco Pietra
(Fri Jan 04 2008 - 09:36:49 PST)
Re: Re: AMBER: Combine mdcrd
Carlos Simmerling
(Fri Jan 04 2008 - 09:56:04 PST)
Re: Re: AMBER: Combine mdcrd
Francesco Pietra
(Fri Jan 04 2008 - 13:26:32 PST)
AMBER: Combining multiple structures into single pdb
Seth Lilavivat
(Fri Jan 04 2008 - 12:21:58 PST)
AMBER: mm/pbsa and saltcon effect
Christopher Gaughan
(Fri Jan 04 2008 - 13:40:17 PST)
AMBER: amber :antechamber problem
jani sahil
(Fri Jan 04 2008 - 19:51:56 PST)
Re: AMBER: amber :antechamber problem
Wei Chen
(Mon Jan 07 2008 - 08:14:53 PST)
Re: AMBER: amber :antechamber problem
Florian Haberl
(Mon Jan 07 2008 - 08:33:02 PST)
AMBER: RESP
Syed Tarique Moin
(Tue Jan 08 2008 - 04:40:03 PST)
Re: AMBER: RESP
FyD
(Tue Jan 08 2008 - 11:49:31 PST)
Re: AMBER: RESP
Syed Tarique Moin
(Wed Jan 09 2008 - 22:36:05 PST)
Re: AMBER: RESP
FyD
(Wed Jan 09 2008 - 23:39:01 PST)
Re: AMBER: RESP
Syed Tarique Moin
(Thu Jan 10 2008 - 01:15:15 PST)
AMBER: RESP
Syed Tarique Moin
(Tue Jan 08 2008 - 04:41:06 PST)
AMBER: RESP
Syed Tarique Moin
(Tue Jan 08 2008 - 04:41:56 PST)
AMBER: RESP
Syed Tarique Moin
(Tue Jan 08 2008 - 04:40:21 PST)
AMBER: antechamber problems
jani sahil
(Fri Jan 04 2008 - 19:49:10 PST)
Re: AMBER: antechamber problems
Junmei Wang
(Sat Jan 05 2008 - 21:35:04 PST)
AMBER: About RAMD
Francesco Pietra
(Sat Jan 05 2008 - 02:39:44 PST)
Re: AMBER: About RAMD
Carlos Simmerling
(Sat Jan 05 2008 - 08:12:40 PST)
Re: AMBER: About RAMD
Francesco Pietra
(Sat Jan 05 2008 - 08:26:01 PST)
Re: AMBER: About RAMD
Carlos Simmerling
(Sat Jan 05 2008 - 08:46:32 PST)
Re: AMBER: About RAMD
Robert Duke
(Sat Jan 05 2008 - 09:05:55 PST)
Re: AMBER: About RAMD
Adrian Roitberg
(Sat Jan 05 2008 - 09:47:33 PST)
RE: AMBER: About RAMD
Yong Duan
(Sat Jan 05 2008 - 11:24:53 PST)
AMBER: NMROPT=1 in minimisation
Binbin Liu
(Sat Jan 05 2008 - 15:38:51 PST)
Re: AMBER: NMROPT=1 in minimisation
David A. Case
(Sun Jan 06 2008 - 12:59:03 PST)
AMBER: temperature spikes
Sally Pias
(Sat Jan 05 2008 - 22:26:55 PST)
Re: AMBER: temperature spikes
Adrian Roitberg
(Sun Jan 06 2008 - 08:41:50 PST)
AMBER: MD of protein-ligand comlex
umbrita itl
(Sun Jan 06 2008 - 12:54:47 PST)
Re: AMBER: MD of protein-ligand comlex
Syed Tarique Moin
(Sun Jan 06 2008 - 22:18:20 PST)
Re: AMBER: MD of protein-ligand comlex
Chris Moth
(Mon Jan 07 2008 - 04:10:23 PST)
AMBER: Cluster analysis
Francesco Pietra
(Mon Jan 07 2008 - 08:00:40 PST)
Re: AMBER: Cluster analysis
Carlos Simmerling
(Mon Jan 07 2008 - 08:18:22 PST)
AMBER: Structure comparison-NMR and X-ray structure using AMBER9
Prem Prakash Pathak
(Mon Jan 07 2008 - 08:11:22 PST)
Re: AMBER: Structure comparison-NMR and X-ray structure using AMBER9
Carlos Simmerling
(Mon Jan 07 2008 - 08:16:16 PST)
AMBER: offset residue numbering
Brendan Duggan
(Mon Jan 07 2008 - 12:14:30 PST)
Re: AMBER: offset residue numbering
David A. Case
(Fri Jan 11 2008 - 23:10:08 PST)
AMBER: Torsional Forcing to generate PES?
Praveena Gopal
(Mon Jan 07 2008 - 20:42:04 PST)
Re: AMBER: Torsional Forcing to generate PES?
Chris Moth
(Tue Jan 08 2008 - 09:08:12 PST)
AMBER: Nudged Elastic Band initial heating problem
Mike Wykes
(Tue Jan 08 2008 - 02:42:09 PST)
Re: AMBER: Nudged Elastic Band initial heating problem
Keith Van Nostrand
(Tue Jan 08 2008 - 05:32:31 PST)
RE: AMBER: Nudged Elastic Band initial heating problem
Ross Walker
(Tue Jan 08 2008 - 15:00:59 PST)
AMBER: solvateBox/solvateDontClip
darkcz.tlen.pl
(Tue Jan 08 2008 - 08:02:19 PST)
AMBER: Problem about antechamber
捞毛 渔
(Tue Jan 08 2008 - 08:09:03 PST)
AMBER: A problem about antechamber
捞毛 渔
(Tue Jan 08 2008 - 08:03:49 PST)
Re: AMBER: A problem about antechamber
Junmei Wang
(Tue Jan 08 2008 - 14:19:15 PST)
AMBER: connectivity problem
rams rams
(Wed Jan 09 2008 - 06:53:55 PST)
Re: AMBER: connectivity problem
Junmei Wang
(Wed Jan 09 2008 - 07:51:05 PST)
Re: AMBER: connectivity problem
rams rams
(Wed Jan 09 2008 - 21:04:41 PST)
Re: AMBER: connectivity problem
Junmei Wang
(Thu Jan 10 2008 - 07:27:07 PST)
AMBER: The energy minimization of SIngle RNA chain
backy
(Thu Jan 10 2008 - 00:33:20 PST)
AMBER: input options for replica exchange simulations
rebeca.mmb.pcb.ub.es
(Thu Jan 10 2008 - 08:46:42 PST)
Re: AMBER: input options for replica exchange simulations
Carlos Simmerling
(Thu Jan 10 2008 - 08:57:12 PST)
Re: AMBER: input options for replica exchange simulations
Adrian Roitberg
(Thu Jan 10 2008 - 09:28:50 PST)
Re: AMBER: input options for replica exchange simulations
rebeca.mmb.pcb.ub.es
(Thu Jan 10 2008 - 10:00:10 PST)
Re: AMBER: input options for replica exchange simulations
Carlos Simmerling
(Thu Jan 10 2008 - 12:50:18 PST)
AMBER: using hydrogen bond facility to monitor ion pair interaction
Zhenwei Lu
(Thu Jan 10 2008 - 09:09:09 PST)
Re: AMBER: using hydrogen bond facility to monitor ion pair interaction
Thomas Cheatham III
(Thu Jan 10 2008 - 09:21:10 PST)
Re: AMBER: using hydrogen bond facility to monitor ion pair interaction
Zhenwei Lu
(Thu Jan 10 2008 - 10:16:57 PST)
AMBER: antechamber problem
gurpreet singh
(Thu Jan 10 2008 - 09:49:15 PST)
Re: AMBER: antechamber problem
Junmei Wang
(Thu Jan 10 2008 - 10:29:23 PST)
Re: AMBER: antechamber problem
gurpreet singh
(Thu Jan 10 2008 - 20:05:38 PST)
AMBER: ANTECHAMBER NAMING
Shozeb Haider
(Thu Jan 10 2008 - 13:19:18 PST)
Re: AMBER: ANTECHAMBER NAMING
David A. Case
(Thu Jan 10 2008 - 19:32:30 PST)
Re: AMBER: ANTECHAMBER NAMING
FyD
(Thu Jan 10 2008 - 23:53:04 PST)
AMBER: graphite
Boutheina Kerkeni
(Fri Jan 11 2008 - 03:26:58 PST)
AMBER: chromophore parameters for Molecular Dynamics
Anthony Cruz
(Fri Jan 11 2008 - 07:32:31 PST)
Re: AMBER: chromophore parameters for Molecular Dynamics
FyD
(Fri Jan 11 2008 - 12:57:19 PST)
Re: AMBER: chromophore parameters for Molecular Dynamics
Anthony Cruz
(Wed Jan 16 2008 - 05:47:42 PST)
Re: AMBER: chromophore parameters for Molecular Dynamics
FyD
(Wed Jan 16 2008 - 06:59:31 PST)
AMBER: problems with restart of MD
Vijay Singh
(Fri Jan 11 2008 - 09:29:31 PST)
Re: AMBER: problems with restart of MD
Age.Skjevik.student.uib.no
(Fri Jan 11 2008 - 10:16:00 PST)
RE: AMBER: problems with restart of MD
Pankaj R. Daga
(Fri Jan 11 2008 - 10:34:13 PST)
RE: AMBER: problems with restart of MD
Ross Walker
(Fri Jan 11 2008 - 11:56:16 PST)
Re: AMBER: problems with restart of MD
Vijay Singh
(Fri Jan 11 2008 - 12:04:39 PST)
Re: AMBER: problems with restart of MD
Vijay Singh
(Sat Jan 12 2008 - 01:48:39 PST)
RE: AMBER: problems with restart of MD
Ross Walker
(Sat Jan 12 2008 - 18:58:20 PST)
Re: AMBER: problems with restart of MD
Vijay Singh
(Sun Jan 13 2008 - 07:45:25 PST)
RE: AMBER: problems with restart of MD
Yong Duan
(Sun Jan 13 2008 - 10:08:52 PST)
Re: AMBER: problems with restart of MD
Vijay Singh
(Sun Jan 13 2008 - 11:53:11 PST)
RE: AMBER: problems with restart of MD
Yong Duan
(Mon Jan 14 2008 - 10:16:24 PST)
AMBER: Visualizing Electrostatic Potential
Seth Lilavivat
(Fri Jan 11 2008 - 11:57:31 PST)
AMBER: Amber DNA Model for X-ray Crystallography
Hopkins, Robert
(Fri Jan 11 2008 - 15:32:00 PST)
AMBER: Unable to create the top & crd files for a protein+ligand pdb structure
abiram abiram
(Fri Jan 11 2008 - 23:54:01 PST)
Re: AMBER: Unable to create the top & crd files for a protein+ligand pdb structure
Jiten
(Sat Jan 12 2008 - 00:21:01 PST)
AMBER: connectivity lose during the minimizations
rams rams
(Sat Jan 12 2008 - 03:40:21 PST)
Re: AMBER: connectivity lose during the minimizations
David A. Case
(Sat Jan 12 2008 - 12:28:37 PST)
AMBER: build RNA by nucgen
欧阳德方
(Sat Jan 12 2008 - 18:26:44 PST)
Re: AMBER: build RNA by nucgen
David A. Case
(Sun Jan 13 2008 - 09:56:32 PST)
AMBER: Back on track
Mike Summers
(Mon Jan 28 2008 - 17:39:32 PST)
Re: AMBER: Back on track
David A. Case
(Wed Jan 30 2008 - 17:33:46 PST)
AMBER: problem:capping
jani sahil
(Sat Jan 12 2008 - 18:53:24 PST)
Re: AMBER: problem:capping
David A. Case
(Sun Jan 13 2008 - 09:10:55 PST)
AMBER: problem in neturalization
jani sahil
(Sat Jan 12 2008 - 19:27:31 PST)
AMBER: Distorsion in protein and ligand during MD
Francesco Pietra
(Sun Jan 13 2008 - 01:46:23 PST)
AMBER: Fwd: Distorsion in protein and ligand during MD
Francesco Pietra
(Sun Jan 13 2008 - 01:57:43 PST)
AMBER: ELAN_EXCEPTION . --: 6 (Initialisation error) ELAN_EXCEPTION . --: 6 (Initialisation error)
Neko Maryam.
(Sun Jan 13 2008 - 21:44:10 PST)
Re: AMBER: ELAN_EXCEPTION . --: 6 (Initialisation error) ELAN_EXCEPTION . --: 6 (Initialisation error)
David A. Case
(Sun Jan 13 2008 - 22:16:31 PST)
Re: AMBER: ELAN_EXCEPTION . --: 6 (Initialisation error) ELAN_EXCEPTION . --: 6 (Initialisation error)
Neko Maryam.
(Sun Jan 13 2008 - 22:23:58 PST)
Re: AMBER: ELAN_EXCEPTION . --: 6 (Initialisation error) ELAN_EXCEPTION . --: 6 (Initialisation error)
Neko Maryam.
(Sun Jan 13 2008 - 22:54:28 PST)
AMBER: Amber : neutralizing without adding ions
jani sahil
(Mon Jan 14 2008 - 03:43:01 PST)
Re: AMBER: Amber : neutralizing without adding ions
Lars Skjærven
(Mon Jan 14 2008 - 07:41:55 PST)
AMBER: pmemd 9.0 compilation error
Raphael Chaleil
(Mon Jan 14 2008 - 06:38:12 PST)
Re: AMBER: pmemd 9.0 compilation error
Robert Duke
(Mon Jan 14 2008 - 07:19:51 PST)
AMBER: QM/MM Heating
Steven Winfield
(Mon Jan 14 2008 - 07:22:27 PST)
Re: AMBER: QM/MM Heating
Steven Winfield
(Mon Jan 21 2008 - 05:48:22 PST)
Re: AMBER: QM/MM Heating
Adrian Roitberg
(Mon Jan 21 2008 - 08:13:18 PST)
RE: AMBER: QM/MM Heating
Ross Walker
(Mon Jan 21 2008 - 08:41:31 PST)
Re: AMBER: QM/MM Heating
Steven Winfield
(Wed Jan 23 2008 - 04:30:11 PST)
RE: AMBER: QM/MM Heating
Ross Walker
(Tue Jan 29 2008 - 06:49:48 PST)
AMBER: Disturb you for help!
捞毛 渔
(Mon Jan 14 2008 - 08:16:37 PST)
RE: AMBER: Disturb you for help!
Yong Duan
(Mon Jan 14 2008 - 12:06:11 PST)
回复： RE: AMBER: Disturb you for help !?=
捞毛 渔
(Mon Jan 14 2008 - 16:12:27 PST)
AMBER: RE: 回复： RE: AMBER: Disturb you for help !?=
Yong Duan
(Mon Jan 14 2008 - 20:14:26 PST)
回复： AMBER: RE: 回复： RE: AMBER: Disturb you for help !?=
捞毛 渔
(Mon Jan 14 2008 - 21:33:49 PST)
AMBER: RE: 回复： AMBER: RE: 回复： RE: AMBER: Disturb you for help !?=
Yong Duan
(Mon Jan 14 2008 - 23:40:39 PST)
回复： AMBER: RE: 回复： AMBER: RE: 回复： RE: AMBER: Disturb you for help !?=
捞毛 渔
(Tue Jan 15 2008 - 17:24:30 PST)
AMBER: RE: 回复： AMBER: RE: 回复： AMBER: RE: 回复： RE: AMBER: Disturb you for help !?=
Yong Duan
(Tue Jan 15 2008 - 20:16:10 PST)
回复： AMBER: RE: 回复： AMBER(wrong string) (wrong string) RE: AMBER: Disturb you for help !?=
捞毛 渔
(Wed Jan 16 2008 - 06:55:37 PST)
AMBER: RE: 回复： AMBER: RE: 回复： AMBER: RE: 回复： AMBER: RE: 回复： RE: AMBER: Disturb you for help !?=
Yong Duan
(Wed Jan 16 2008 - 08:13:15 PST)
回复： AMBER: RE: 回复： AMBER(wrong string) (wrong string) AMBER: RE: ظ RE: AMBER: Disturb you for help !?=
捞毛 渔
(Thu Jan 17 2008 - 07:33:28 PST)
AMBER: running AMBER in NAMD Trucated Octahedron
Seth Lilavivat
(Mon Jan 14 2008 - 14:19:05 PST)
Re: AMBER: running AMBER in NAMD Trucated Octahedron
Jojart Balazs
(Mon Jan 14 2008 - 14:31:05 PST)
AMBER: Using VMD to calculate end-to-end distance?
Lili Peng
(Mon Jan 14 2008 - 14:41:55 PST)
Re: AMBER: Using VMD to calculate end-to-end distance?
Keith Van Nostrand
(Mon Jan 14 2008 - 19:35:42 PST)
AMBER: How to build a dimer using amber
Reena .....
(Mon Jan 14 2008 - 23:19:45 PST)
Re: AMBER: How to build a dimer using amber
David A. Case
(Mon Jan 14 2008 - 23:51:50 PST)
Re: AMBER: How to build a dimer using amber
Reena .....
(Tue Jan 15 2008 - 01:29:03 PST)
Re: AMBER: How to build a dimer using amber
Reena .....
(Tue Jan 15 2008 - 01:31:24 PST)
Re: AMBER: How to build a dimer using amber
David A. Case
(Tue Jan 15 2008 - 09:18:14 PST)
AMBER: NPT to NVT
Age.Skjevik.student.uib.no
(Tue Jan 15 2008 - 05:58:22 PST)
AMBER: Regarding neutral Arginine unit
jani sahil
(Tue Jan 15 2008 - 08:19:00 PST)
Re: AMBER: Regarding neutral Arginine unit
Carlos Simmerling
(Tue Jan 15 2008 - 08:28:21 PST)
AMBER: Problem with: Increase lastrst in the &cntrl namelist
rdauria.uci.edu
(Tue Jan 15 2008 - 20:46:04 PST)
Re: AMBER: Problem with: Increase lastrst in the &cntrl namelist
David A. Case
(Wed Jan 16 2008 - 08:46:35 PST)
Re: AMBER: Problem with: Increase lastrst in the &cntrl namelist
rdauria.uci.edu
(Wed Jan 16 2008 - 10:19:27 PST)
AMBER:
DawsonSean
(Wed Jan 16 2008 - 00:52:07 PST)
Re: AMBER:
Reena .....
(Wed Jan 16 2008 - 01:07:30 PST)
AMBER:
Chris Moth
(Wed Jan 16 2008 - 07:11:07 PST)
AMBER: Help in radii
snoze pa
(Wed Jan 16 2008 - 09:08:59 PST)
Re: AMBER: Help in radii
snoze pa
(Wed Jan 16 2008 - 09:45:20 PST)
Re: AMBER: Help in radii
FyD
(Wed Jan 16 2008 - 12:31:07 PST)
AMBER: diblock copolymer
Z Insepov
(Thu Jan 17 2008 - 07:27:47 PST)
Re: AMBER: diblock copolymer
Jed W Pitera
(Tue Jan 22 2008 - 17:01:03 PST)
Re: AMBER: diblock copolymer
Z Insepov
(Tue Jan 22 2008 - 21:23:39 PST)
AMBER: Re: timestep problem
Andrey Semichaevsky
(Thu Jan 17 2008 - 10:24:00 PST)
Re: AMBER: Re: timestep problem
David A. Case
(Thu Jan 17 2008 - 12:27:56 PST)
AMBER: PEO-PLA/PCE
Z Insepov
(Thu Jan 17 2008 - 12:19:47 PST)
Re: AMBER: PEO-PLA/PCE
FyD
(Fri Jan 18 2008 - 12:42:06 PST)
AMBER: GAFF atom types for flavin (again)
Hans Martin Senn
(Thu Jan 17 2008 - 12:47:54 PST)
Re: AMBER: GAFF atom types for flavin (again)
Junmei Wang
(Thu Jan 17 2008 - 21:21:21 PST)
AMBER: problems of antechamber
liu junjun
(Thu Jan 17 2008 - 18:15:54 PST)
Re: AMBER: problems of antechamber
Junmei Wang
(Thu Jan 17 2008 - 21:24:52 PST)
Re: AMBER: problems of antechamber
JunJun Liu
(Tue Jan 22 2008 - 06:45:26 PST)
Re: AMBER: problems of antechamber
liu junjun
(Sun Jan 20 2008 - 07:21:49 PST)
AMBER: NMR refinement
Wenyong Tong
(Thu Jan 17 2008 - 18:54:04 PST)
Re: AMBER: NMR refinement
David A. Case
(Fri Jan 18 2008 - 09:11:54 PST)
Re: AMBER: NMR refinement
David A. Case
(Fri Jan 18 2008 - 09:35:37 PST)
AMBER: Tinker 4.3
Paulo Couto
(Fri Jan 18 2008 - 07:22:25 PST)
Re: AMBER: Tinker 4.3
David A. Case
(Fri Jan 18 2008 - 09:07:50 PST)
AMBER: about AM1-BCC in antechamber
Shun Zhu
(Fri Jan 18 2008 - 14:06:30 PST)
Re: AMBER: about AM1-BCC in antechamber
David Mobley
(Fri Jan 18 2008 - 14:21:44 PST)
Re: AMBER: about AM1-BCC in antechamber
Junmei Wang
(Fri Jan 18 2008 - 21:31:06 PST)
Re: AMBER: about AM1-BCC in antechamber
Shun Zhu
(Tue Jan 22 2008 - 09:38:01 PST)
Re: AMBER: about AM1-BCC in antechamber
Junmei Wang
(Tue Jan 22 2008 - 09:56:55 PST)
Re: AMBER: about AM1-BCC in antechamber
Shun Zhu
(Tue Jan 22 2008 - 10:09:49 PST)
AMBER: A problem to loadup the molecular in the xleap
捞毛 渔
(Fri Jan 18 2008 - 21:28:02 PST)
RE: AMBER: A problem to loadup the molecular in the xleap
Yong Duan
(Fri Jan 18 2008 - 22:17:35 PST)
回复： RE: AMBER: A problem to loadup the molecular in the xleap
捞毛 渔
(Sat Jan 19 2008 - 08:31:05 PST)
Re: ?????? RE: AMBER: A problem to loadup the molecular in the xleap
David A. Case
(Sat Jan 19 2008 - 10:17:16 PST)
AMBER: RE: 回复： RE: AMBER: A problem to loadup the molecular in the xleap
Yong Duan
(Sat Jan 19 2008 - 12:44:25 PST)
AMBER: RMSD calculation using AMBER7
Biman Jana
(Sat Jan 19 2008 - 05:16:46 PST)
Re: AMBER: RMSD calculation using AMBER7
Carlos Simmerling
(Sat Jan 19 2008 - 06:19:45 PST)
AMBER: convergence of free energy calculations
saurabh agrawal
(Tue Jan 22 2008 - 03:54:28 PST)
Re: AMBER: convergence of free energy calculations
David Mobley
(Thu Jan 24 2008 - 10:20:35 PST)
AMBER: problem with group input
Ed Pate
(Sun Jan 20 2008 - 22:53:28 PST)
Re: AMBER: problem with group input
anna.schrey.gmx.de
(Mon Jan 21 2008 - 06:22:48 PST)
AMBER: Atomic restraints
Marie Brut
(Mon Jan 21 2008 - 05:34:42 PST)
AMBER: BCC charges
Thomas Exner
(Tue Jan 22 2008 - 07:47:20 PST)
RE: AMBER: BCC charges
Ross Walker
(Tue Jan 22 2008 - 09:16:05 PST)
Re: AMBER: BCC charges
Thomas Exner
(Wed Jan 23 2008 - 02:11:36 PST)
AMBER: Has anyone seen a protein fall apart due to PBCs?
David Cerutti
(Tue Jan 22 2008 - 08:10:10 PST)
Re: AMBER: Has anyone seen a protein fall apart due to PBCs?
Thomas Cheatham III
(Tue Jan 22 2008 - 08:37:03 PST)
RE: AMBER: Has anyone seen a protein fall apart due to PBCs?
Irene Newhouse
(Tue Jan 22 2008 - 09:28:44 PST)
Re: AMBER: Has anyone seen a protein fall apart due to PBCs?
Melinda Layten
(Tue Jan 22 2008 - 10:43:23 PST)
Re: AMBER: Has anyone seen a protein fall apart due to PBCs?
David Cerutti
(Tue Jan 22 2008 - 11:13:42 PST)
RE: AMBER: Has anyone seen a protein fall apart due to PBCs?
Yong Duan
(Tue Jan 22 2008 - 19:20:41 PST)
AMBER: Systematic drift
Francesco Pietra
(Tue Jan 22 2008 - 14:06:46 PST)
AMBER: Installing OpenMPI
Hopkins, Robert
(Tue Jan 22 2008 - 15:57:49 PST)
Re: AMBER: Installing OpenMPI
David A. Case
(Wed Jan 23 2008 - 09:07:46 PST)
Re: AMBER: Installing OpenMPI
Francesco Pietra
(Wed Jan 23 2008 - 10:18:44 PST)
Re: AMBER: Installing OpenMPI
Hopkins, Robert
(Wed Jan 23 2008 - 16:40:22 PST)
AMBER: collision with surface
Z Insepov
(Tue Jan 22 2008 - 16:25:55 PST)
AMBER: Re: Systematic drift
Francesco Pietra
(Tue Jan 22 2008 - 23:23:07 PST)
AMBER: Amber 9: Question regarding Test Failures and Compilers
Jan Schulze
(Wed Jan 23 2008 - 02:01:04 PST)
Re: AMBER: Amber 9: Question regarding Test Failures and Compilers
David A. Case
(Wed Jan 23 2008 - 08:22:04 PST)
AMBER: distorted aromatic rings
Marc Lindner
(Wed Jan 23 2008 - 02:40:20 PST)
Re: AMBER: distorted aromatic rings
David A. Case
(Wed Jan 23 2008 - 08:24:15 PST)
Re: AMBER: mmpbsa binding energy
Marc Lindner
(Thu Jan 24 2008 - 02:16:23 PST)
AMBER: vlimit exceeded error
priya priya
(Wed Jan 23 2008 - 03:27:37 PST)
Re: AMBER: vlimit exceeded error
David A. Case
(Wed Jan 23 2008 - 08:29:18 PST)
AMBER: ptraj: new mask parser
Vlad Cojocaru
(Wed Jan 23 2008 - 03:59:24 PST)
Re: AMBER: ptraj: new mask parser
Jianyin Shao
(Thu Jan 24 2008 - 09:23:53 PST)
Re: AMBER: ptraj: new mask parser
Vlad Cojocaru
(Thu Jan 24 2008 - 10:19:25 PST)
AMBER: regarding :scee
jani sahil
(Wed Jan 23 2008 - 07:50:45 PST)
Re: AMBER: regarding :scee
David A. Case
(Wed Jan 23 2008 - 08:45:07 PST)
Re: AMBER: regarding :scee
jani sahil
(Wed Jan 23 2008 - 20:37:48 PST)
AMBER: tutorial_8_section_6
Urszula Uciechowska
(Wed Jan 23 2008 - 09:04:38 PST)
AMBER: antechamber run on charged system
san_amber roy
(Wed Jan 23 2008 - 10:09:34 PST)
Re: AMBER: antechamber run on charged system
David A. Case
(Wed Jan 23 2008 - 10:37:06 PST)
Re: AMBER: antechamber run on charged system
snoze pa
(Wed Jan 23 2008 - 11:34:04 PST)
AMBER: Units of atomicfluct
Lili Peng
(Wed Jan 23 2008 - 16:27:16 PST)
AMBER: Tough time with antechamber
David Cerutti
(Wed Jan 23 2008 - 23:29:38 PST)
AMBER: Tough time with antechamber (UPDATE, still need help)
David Cerutti
(Thu Jan 24 2008 - 00:09:42 PST)
Re: AMBER: Tough time with antechamber
Junmei Wang
(Thu Jan 24 2008 - 07:23:08 PST)
Re: AMBER: Tough time with antechamber
David Mobley
(Thu Jan 24 2008 - 10:14:42 PST)
Re: AMBER: Tough time with antechamber
David A. Case
(Thu Jan 24 2008 - 10:42:56 PST)
Re: AMBER: Tough time with antechamber
David Cerutti
(Thu Jan 24 2008 - 10:55:48 PST)
Re: AMBER: Tough time with antechamber
Junmei Wang
(Thu Jan 24 2008 - 15:49:51 PST)
Re: AMBER: Tough time with antechamber
David A. Case
(Thu Jan 24 2008 - 18:25:33 PST)
AMBER: Problems in execution of Replica Exchange calculations Amber 9.0
rebeca.mmb.pcb.ub.es
(Thu Jan 24 2008 - 08:50:22 PST)
Re: AMBER: Problems in execution of Replica Exchange calculations Amber 9.0
David A. Case
(Thu Jan 24 2008 - 09:25:09 PST)
AMBER: Help needed to analyze DNA Holliday Junction - Drug Binding MD simulations.
Subramanian Arun Kumar
(Thu Jan 24 2008 - 09:14:56 PST)
AMBER: NMR refinement
Seth Lilavivat
(Thu Jan 24 2008 - 09:39:08 PST)
Re: AMBER: NMR refinement
Wenyong Tong
(Fri Jan 18 2008 - 20:18:18 PST)
Re: AMBER: NMR refinement
David A. Case
(Sat Jan 19 2008 - 10:39:08 PST)
Re: AMBER: NMR refinement
David A. Case
(Thu Jan 24 2008 - 18:18:48 PST)
AMBER: QM/MM: input conversion error
Pankaj R. Daga
(Thu Jan 24 2008 - 10:11:36 PST)
Re: AMBER: QM/MM: input conversion error
M. L. Dodson
(Thu Jan 24 2008 - 10:31:44 PST)
RE: AMBER: QM/MM: input conversion error
Pankaj R. Daga
(Thu Jan 24 2008 - 11:05:31 PST)
Re: AMBER: QM/MM: input conversion error
M. L. Dodson
(Thu Jan 24 2008 - 11:25:03 PST)
RE: AMBER: QM/MM: input conversion error
Ross Walker
(Thu Jan 24 2008 - 16:01:43 PST)
RE: AMBER: QM/MM: input conversion error
Pankaj R. Daga
(Fri Jan 25 2008 - 12:11:24 PST)
Re: AMBER: QM/MM: input conversion error
M. L. Dodson
(Fri Jan 25 2008 - 12:56:38 PST)
RE: AMBER: QM/MM: input conversion error
Pankaj R. Daga
(Fri Jan 25 2008 - 14:02:47 PST)
RE: AMBER: QM/MM: input conversion error
Ross Walker
(Fri Jan 25 2008 - 14:48:49 PST)
Re: AMBER: QM/MM: input conversion error
David A. Case
(Fri Jan 25 2008 - 14:59:35 PST)
AMBER: Number of Hydrogen Bonds?
d90223013.ntu.edu.tw
(Thu Jan 24 2008 - 17:07:39 PST)
RE: AMBER: Number of Hydrogen Bonds?
Jiapu.Zhang.csiro.au
(Thu Jan 24 2008 - 17:35:04 PST)
Re: AMBER: Number of Hydrogen Bonds?
Jack Lei
(Fri Jan 25 2008 - 05:20:53 PST)
AMBER: flexible molecule parameterization
Zhenwei Lu
(Fri Jan 25 2008 - 07:36:46 PST)
Re: AMBER: flexible molecule parameterization
FyD
(Sun Jan 27 2008 - 06:09:37 PST)
AMBER: AMBER installation problem
Jun Liu
(Fri Jan 25 2008 - 10:59:29 PST)
Re: AMBER: AMBER installation problem
Bertrand P. S. Russell
(Sat Jan 26 2008 - 07:53:43 PST)
Re: AMBER: AMBER installation problem
Sampath Koppole
(Mon Jan 28 2008 - 00:36:27 PST)
Re: AMBER: AMBER installation problem
David A. Case
(Mon Jan 28 2008 - 08:06:54 PST)
AMBER: Reg cysteine protonaitons states in pH constant MD
D.Usharani
(Sun Jan 27 2008 - 21:15:58 PST)
AMBER: Why LEap created a new H atom for CYM while generating TOPOLOGY file?
Jack Lei
(Mon Jan 28 2008 - 04:59:38 PST)
RE: AMBER: Why LEap created a new H atom for CYM while generating TOPOLOGY file?
Steve Spronk
(Mon Jan 28 2008 - 05:47:39 PST)
Re: AMBER: Why LEap created a new H atom for CYM while generating TOPOLOGY file?
Jack Lei
(Mon Jan 28 2008 - 06:35:06 PST)
Re: AMBER: Why LEap created a new H atom for CYM while generating TOPOLOGY file?
David A. Case
(Mon Jan 28 2008 - 08:11:02 PST)
AMBER: Reference for rmsd
Francesco Pietra
(Mon Jan 28 2008 - 09:51:02 PST)
AMBER: How to determine the basic parameters of a Replica Exchange Molecular Dynamics(REMD?
d90223013.ntu.edu.tw
(Mon Jan 28 2008 - 23:35:08 PST)
Re: AMBER: How to determine the basic parameters of a Replica Exchange Molecular Dynamics(REMD?
Carlos Simmerling
(Tue Jan 29 2008 - 04:21:37 PST)
AMBER: radial distribution function in ptraj
Lili Peng
(Tue Jan 29 2008 - 01:36:37 PST)
AMBER: Amber parallel version on CPU power of 2 only
fatima.chami.durham.ac.uk
(Tue Jan 29 2008 - 05:38:34 PST)
RE: AMBER: Amber parallel version on CPU power of 2 only
Ross Walker
(Tue Jan 29 2008 - 06:39:21 PST)
RE: AMBER: Amber parallel version on CPU power of 2 only
fatima.chami.durham.ac.uk
(Tue Jan 29 2008 - 10:19:22 PST)
Re: AMBER: Amber parallel version on CPU power of 2 only
Robert Duke
(Tue Jan 29 2008 - 10:43:03 PST)
Re: AMBER: Amber parallel version on CPU power of 2 only
fatima.chami.durham.ac.uk
(Tue Jan 29 2008 - 13:04:56 PST)
AMBER: problem to compile PMEMD?
fatima.chami.durham.ac.uk
(Tue Jan 29 2008 - 14:45:41 PST)
Re: AMBER: problem to compile PMEMD?
Robert Duke
(Tue Jan 29 2008 - 15:09:05 PST)
Re: AMBER: problem to compile PMEMD?
fatima.chami.durham.ac.uk
(Tue Jan 29 2008 - 16:10:48 PST)
Re: AMBER: problem to compile PMEMD?
Robert Duke
(Tue Jan 29 2008 - 18:10:49 PST)
Re: AMBER: problem to compile PMEMD?
Robert Duke
(Tue Jan 29 2008 - 18:11:57 PST)
AMBER: Reg cysteine protonation states
D.Usharani
(Tue Jan 29 2008 - 19:58:22 PST)
AMBER: setting periodic box
Vijay Manickam Achari
(Tue Jan 29 2008 - 20:22:05 PST)
AMBER: Entropy calculation
nag raj
(Wed Jan 30 2008 - 01:51:26 PST)
AMBER: SANDER BOMB in subroutine nonbond_list
Pankaj R. Daga
(Wed Jan 30 2008 - 07:13:45 PST)
RE: AMBER: SANDER BOMB in subroutine nonbond_list
Ross Walker
(Wed Jan 30 2008 - 08:20:51 PST)
AMBER: Amber9 fails test.parallel
Marc Cozzi
(Wed Jan 30 2008 - 10:58:41 PST)
Re: AMBER: Amber9 fails test.parallel
Mark Williamson
(Wed Jan 30 2008 - 12:04:31 PST)
AMBER: (no subject)
Syed Tarique Moin
(Wed Jan 30 2008 - 21:31:24 PST)
Re: AMBER: RESP
FyD
(Wed Jan 30 2008 - 21:47:38 PST)
AMBER: Entropy calculation
nag raj
(Thu Jan 31 2008 - 04:47:51 PST)
AMBER: LEAP: solute concentration
fatima.chami.durham.ac.uk
(Thu Jan 31 2008 - 07:12:24 PST)
AMBER: disulfide bridge with ff03ua FF
Marcin Krol
(Thu Jan 31 2008 - 10:30:56 PST)
AMBER: benchmark walltime to ps/day calculation
Andrew Ring
(Thu Jan 31 2008 - 12:11:05 PST)
Re: AMBER: benchmark walltime to ps/day calculation
Steven Winfield
(Thu Jan 31 2008 - 12:34:49 PST)
Re: AMBER: benchmark walltime to ps/day calculation
Andrew Ring
(Thu Jan 31 2008 - 13:16:22 PST)
Last message date
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Sun Feb 03 2008 - 06:07:20 PST
Archived on
: Wed Oct 02 2024 - 05:53:39 PDT
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