Amber Archive Aug 2009 by thread
460 messages
:
Starting
Wed Aug 19 2009 - 20:00:57 PDT,
Ending
Wed Sep 02 2009 - 23:06:57 PDT
This period
:
Most recent messages
sort by
: [ thread ] [
author
] [
date
] [
subject
] [
attachment
]
Re: [AMBER] query
Ashish Runthala
(Fri Jul 31 2009 - 18:23:07 PDT)
Re: [AMBER] ambpdb problem
Ashish Runthala
(Fri Jul 31 2009 - 18:28:42 PDT)
Re: [AMBER] problem from xleap
Qinghua Liao
(Fri Jul 31 2009 - 18:38:19 PDT)
Re: [AMBER] problem from xleap
Ashish Runthala
(Fri Jul 31 2009 - 20:33:10 PDT)
Re: [AMBER] problem from xleap
Tom Joseph
(Sat Aug 01 2009 - 04:19:22 PDT)
Re: [AMBER] Non-Standard Amino Acid Residue LEAP ERROR
Ashish Runthala
(Fri Jul 31 2009 - 18:39:54 PDT)
[AMBER] radial distribution function
Dharmik Meghana shankar
(Fri Jul 31 2009 - 22:33:58 PDT)
[AMBER] Timescales and restraints for protein-small ligands movement simulations
Andrew Voronkov
(Fri Jul 31 2009 - 23:23:19 PDT)
Re: [AMBER] Timescales and restraints for protein-small ligands movement simulations
Andrew Voronkov
(Sat Aug 01 2009 - 07:14:49 PDT)
Re: [AMBER] Timescales and restraints for protein-small ligands movement simulations
Vivek Sharma
(Sat Aug 01 2009 - 23:29:13 PDT)
[AMBER] Re: query
bharat lakhani
(Sat Aug 01 2009 - 05:07:24 PDT)
Re: [AMBER] Re: query
Ashish Runthala
(Sat Aug 01 2009 - 05:21:47 PDT)
[AMBER] Showing error
bharat lakhani
(Sat Aug 01 2009 - 06:12:00 PDT)
[AMBER] Showing error in energy minimization
bharat lakhani
(Sat Aug 01 2009 - 23:22:30 PDT)
Re: [AMBER] Showing error in energy minimization
case
(Sun Aug 02 2009 - 07:25:04 PDT)
[AMBER] Do we need to need to rms fit all atoms before calculating correlation motion between residues?
Catein Catherine
(Sun Aug 02 2009 - 20:45:19 PDT)
Re: [AMBER] Showing error in energy minimization
Ashish Runthala
(Sun Aug 02 2009 - 20:05:06 PDT)
RE: [AMBER] PCA analysis: the first vector is the movement of whole molecule.
Catein Catherine
(Sun Aug 02 2009 - 20:47:07 PDT)
Re: [AMBER] xleap installation error
Bokun Cho
(Sun Aug 02 2009 - 22:18:00 PDT)
Re: [AMBER] xleap installation error
Scott Brozell
(Mon Aug 03 2009 - 09:57:18 PDT)
[AMBER] showing error when creating topology and coordinate file
bharat lakhani
(Mon Aug 03 2009 - 00:19:59 PDT)
[AMBER] Re: showing error when creating topology and coordinate file
bharat lakhani
(Mon Aug 03 2009 - 21:54:36 PDT)
RE: [AMBER] Re: showing error when creating topology and coordinate file
Olotu Odunayo
(Tue Aug 04 2009 - 06:08:32 PDT)
[AMBER] optimization step length
ondrej.prenosil.marge.uochb.cas.cz
(Mon Aug 03 2009 - 03:40:15 PDT)
Re: [AMBER] optimization step length
Ashish Runthala
(Mon Aug 03 2009 - 07:26:28 PDT)
[AMBER] Problem with Amber8
Sebastian Petruczynik
(Mon Aug 03 2009 - 06:28:56 PDT)
Re: [AMBER] Problem with Amber8
ondrej.prenosil.marge.uochb.cas.cz
(Mon Aug 03 2009 - 06:37:01 PDT)
RE: [AMBER] Problem with Amber8
Ross Walker
(Mon Aug 03 2009 - 12:41:28 PDT)
Re: [AMBER] Problem with Amber8
Sebastian Petruczynik
(Wed Aug 05 2009 - 04:33:05 PDT)
[AMBER] What is the meaning of IED values for PCA analysis?
Catein Catherine
(Mon Aug 03 2009 - 07:30:15 PDT)
Re: [AMBER] What is the meaning of IED values for PCA analysis?
case
(Wed Aug 05 2009 - 09:39:30 PDT)
[AMBER] How to solve the problem "RESTARTED DUE to LINMIN FAILURE"
Jianping Lin
(Mon Aug 03 2009 - 07:57:28 PDT)
RE: [AMBER] How to solve the problem "RESTARTED DUE to LINMIN FAILURE"
Ross Walker
(Mon Aug 03 2009 - 12:38:23 PDT)
Re: [AMBER] How to solve the problem "RESTARTED DUE to LINMIN FAILURE"
Jianping Lin
(Fri Aug 07 2009 - 13:32:47 PDT)
[AMBER] Re: How to solve the problem "RESTARTED DUE to LINMIN FAILURE"
Jianping Lin
(Mon Aug 10 2009 - 16:18:44 PDT)
Re: [AMBER] Re: How to solve the problem "RESTARTED DUE to LINMIN FAILURE"
Bill Ross
(Mon Aug 10 2009 - 18:17:05 PDT)
Re: [AMBER] Re: How to solve the problem "RESTARTED DUE to LINMIN FAILURE"
Jianping Lin
(Mon Aug 10 2009 - 18:23:44 PDT)
Re: [AMBER] Re: How to solve the problem "RESTARTED DUE to LINMIN FAILURE"
Bill Ross
(Mon Aug 10 2009 - 18:30:07 PDT)
Re: [AMBER] nonbon.f question
Rizwan Tai
(Mon Aug 03 2009 - 09:13:21 PDT)
RE: [AMBER] nonbon.f question
Ross Walker
(Mon Aug 03 2009 - 11:32:18 PDT)
[AMBER] Lennard Jones potential
Rizwan Tai
(Mon Aug 03 2009 - 10:13:16 PDT)
RE: [AMBER] Lennard Jones potential
Ross Walker
(Mon Aug 03 2009 - 12:28:06 PDT)
[AMBER] parmchk problem
isaac sugden
(Tue Aug 04 2009 - 07:12:29 PDT)
Re: [AMBER] parmchk problem
case
(Wed Aug 05 2009 - 09:36:27 PDT)
Re: [AMBER] parmchk problem
isaac sugden
(Wed Aug 05 2009 - 10:21:53 PDT)
Re: [AMBER] parmchk problem
case
(Tue Aug 11 2009 - 06:51:57 PDT)
[AMBER] Protein Activity
Chih-Ying Lin
(Tue Aug 04 2009 - 10:57:54 PDT)
Re: [AMBER] Protein Activity
Bill Ross
(Tue Aug 04 2009 - 12:19:32 PDT)
Re: [AMBER] Protein Activity
Chih-Ying Lin
(Tue Aug 04 2009 - 12:42:42 PDT)
Re: [AMBER] Protein Activity
Bill Ross
(Tue Aug 04 2009 - 12:59:40 PDT)
Re: [AMBER] Protein Activity
Ashish Runthala
(Tue Aug 04 2009 - 20:42:11 PDT)
[AMBER] problem of mm_pbsa
Qinghua Liao
(Tue Aug 04 2009 - 22:46:51 PDT)
Re: [AMBER] problem of mm_pbsa
case
(Wed Aug 05 2009 - 08:42:56 PDT)
Re: [AMBER] problem of mm_pbsa
Qinghua Liao
(Wed Aug 05 2009 - 17:22:13 PDT)
Re: [AMBER] problem of mm_pbsa
Rubben Torella
(Thu Aug 06 2009 - 08:53:47 PDT)
Re: [AMBER] problem of mm_pbsa
Qinghua Liao
(Thu Aug 06 2009 - 16:58:55 PDT)
Re: [AMBER] problem of mm_pbsa
Jordan Monnet
(Fri Aug 07 2009 - 16:13:57 PDT)
Re: [AMBER] problem of mm_pbsa
Qinghua Liao
(Fri Aug 07 2009 - 18:11:43 PDT)
Re: [AMBER] problem of mm_pbsa
Jordan Monnet
(Mon Aug 10 2009 - 12:37:55 PDT)
Re: [AMBER] problem of mm_pbsa
Qinghua Liao
(Thu Aug 13 2009 - 06:58:24 PDT)
Re: [AMBER] problem of mm_pbsa
Jordan Monnet
(Thu Aug 13 2009 - 13:04:37 PDT)
[AMBER] USE A VERSION COMPILED WITHOUT -DLES
s. Bill
(Wed Aug 05 2009 - 03:50:01 PDT)
Solved THNAKS Re: [AMBER] USE A VERSION COMPILED WITHOUT -DLES
s. Bill
(Wed Aug 05 2009 - 04:55:55 PDT)
[AMBER] TWO restraints with different force constants
s. Bill
(Wed Aug 05 2009 - 04:54:18 PDT)
Re: [AMBER] TWO restraints with different force constants
A. Gomez-Sicilia
(Wed Aug 05 2009 - 05:20:54 PDT)
AW: [AMBER] TWO restraints with different force constants
Aust, Susanne
(Wed Aug 05 2009 - 05:31:38 PDT)
[AMBER] Computational Resources
s. Bill
(Wed Aug 05 2009 - 08:17:34 PDT)
RE: [AMBER] Computational Resources
Ross Walker
(Wed Aug 05 2009 - 09:08:21 PDT)
[AMBER] ptraj failure to parse psf input
Sasha Buzko
(Wed Aug 05 2009 - 09:39:57 PDT)
Re: [AMBER] ptraj failure to parse psf input
case
(Wed Aug 05 2009 - 10:32:00 PDT)
Re: [AMBER] ptraj failure to parse psf input
Sasha Buzko
(Wed Aug 05 2009 - 12:33:54 PDT)
Re: [AMBER] ptraj failure to parse psf input
Sasha Buzko
(Wed Aug 12 2009 - 14:16:07 PDT)
Re: [AMBER] ptraj failure to parse psf input
Thomas Cheatham
(Wed Aug 12 2009 - 21:27:34 PDT)
Re: [AMBER] ptraj failure to parse psf input
Sasha Buzko
(Thu Aug 13 2009 - 09:25:32 PDT)
Re: [AMBER] ptraj failure to parse psf input
Sasha Buzko
(Thu Aug 13 2009 - 16:34:07 PDT)
[AMBER] nmode output
Vahdati N.
(Wed Aug 05 2009 - 15:26:11 PDT)
[AMBER] implicit solvent simulation
Manish Kumar
(Wed Aug 05 2009 - 21:49:30 PDT)
Re: [AMBER] implicit solvent simulation
Ashish Runthala
(Wed Aug 05 2009 - 22:00:50 PDT)
Re: [AMBER] implicit solvent simulation
Manish Kumar
(Wed Aug 05 2009 - 22:19:11 PDT)
RE: [AMBER] implicit solvent simulation
Ross Walker
(Wed Aug 05 2009 - 23:32:24 PDT)
Re: [AMBER] implicit solvent simulation
Manish Kumar
(Wed Aug 05 2009 - 23:53:54 PDT)
[AMBER] Model(l)ing'09 in Erlangen, Germany: Registration Open Until August 31st
Harald Lanig
(Thu Aug 06 2009 - 01:39:07 PDT)
[AMBER] Extreme optimization problems
ondrej.prenosil.marge.uochb.cas.cz
(Thu Aug 06 2009 - 05:04:09 PDT)
Re: [AMBER] Extreme optimization problems
case
(Thu Aug 06 2009 - 08:51:23 PDT)
Re: [AMBER] parameters for HIV protease inhibitors
Carlos Simmerling
(Thu Aug 06 2009 - 08:29:39 PDT)
Re: [AMBER] parameters for HIV protease inhibitors
Oliver Kuhn
(Tue Aug 11 2009 - 07:57:24 PDT)
Re: [AMBER] parameters for HIV protease inhibitors
FyD
(Wed Aug 12 2009 - 05:56:18 PDT)
[AMBER] Regd : gaff force field
KIRTANA S
(Thu Aug 06 2009 - 13:09:14 PDT)
Re: [AMBER] Regd : gaff force field
Nicholas Musolino
(Thu Aug 06 2009 - 13:22:37 PDT)
RE: [AMBER] Regd : gaff force field
Ross Walker
(Thu Aug 06 2009 - 13:42:14 PDT)
Re: [AMBER] Regd : gaff force field
KIRTANA S
(Thu Aug 06 2009 - 15:12:15 PDT)
Re: [AMBER] Regd : gaff force field
Ashish Runthala
(Fri Aug 07 2009 - 02:08:43 PDT)
RE: [AMBER] Regd : gaff force field
Ross Walker
(Fri Aug 07 2009 - 08:52:07 PDT)
Re: [AMBER] Regd : gaff force field
Ashish Runthala
(Sat Aug 08 2009 - 05:17:37 PDT)
[AMBER] How to keep the closest solvent mols to each atoms by PTRAJ?
u8613020.msg.ndhu.edu.tw
(Thu Aug 06 2009 - 18:40:17 PDT)
[AMBER] implicit solvent simulation with new ligand
Manish Kumar
(Thu Aug 06 2009 - 20:29:37 PDT)
[AMBER] Re: implicit solvent simulation with new ligand
Manish Kumar
(Fri Aug 07 2009 - 11:22:57 PDT)
Re: [AMBER] Re: implicit solvent simulation with new ligand
Carlos Simmerling
(Fri Aug 07 2009 - 11:29:46 PDT)
[AMBER] Parameters for haloacetates
Joseph Nachman
(Fri Aug 07 2009 - 11:22:34 PDT)
Re: [AMBER] Parameters for haloacetates
Lili Peng
(Fri Aug 07 2009 - 21:43:50 PDT)
Re: [AMBER] Parameters for haloacetates
Joseph Nachman
(Mon Aug 10 2009 - 07:54:13 PDT)
Re: [AMBER] Re: implicit solvent simulation with new ligand
Manish Kumar
(Fri Aug 07 2009 - 12:08:59 PDT)
Re: [AMBER] Re: implicit solvent simulation with new ligand
Carlos Simmerling
(Mon Aug 10 2009 - 07:42:33 PDT)
[AMBER] query
bharat lakhani
(Fri Aug 07 2009 - 02:11:42 PDT)
[AMBER] pmemd
michael
(Fri Aug 07 2009 - 02:50:29 PDT)
Re: [AMBER] pmemd
case
(Fri Aug 07 2009 - 08:18:52 PDT)
Re: [AMBER] pmemd
michael
(Mon Aug 10 2009 - 12:51:59 PDT)
RE: [AMBER] pmemd
Ross Walker
(Mon Aug 10 2009 - 17:00:12 PDT)
Re: [AMBER] pmemd
michael
(Sat Aug 15 2009 - 04:30:28 PDT)
Re: [AMBER] pmemd
Robert Duke
(Mon Aug 24 2009 - 06:42:05 PDT)
[AMBER] query regarding resp
subarna thakur
(Fri Aug 07 2009 - 05:14:35 PDT)
Re: [AMBER] query regarding resp
Oliver Kuhn
(Tue Aug 11 2009 - 07:24:19 PDT)
[AMBER] (no subject)
Beale, John
(Fri Aug 07 2009 - 05:16:58 PDT)
Re: [AMBER] (no subject)
Ashish Runthala
(Fri Aug 07 2009 - 06:27:04 PDT)
RE: [AMBER] (no subject)
Ross Walker
(Fri Aug 07 2009 - 08:35:32 PDT)
Re: [AMBER] (no subject)
case
(Fri Aug 07 2009 - 16:54:18 PDT)
[AMBER] MM-PBSA results
Dmitry Osolodkin
(Fri Aug 07 2009 - 07:31:48 PDT)
[AMBER] Appropriate nmode input file for gas and vacuum phase simulation
Scott Pendley
(Fri Aug 07 2009 - 10:48:52 PDT)
Re: [AMBER] Appropriate nmode input file for gas and vacuum phase simulation
case
(Sat Aug 08 2009 - 12:20:37 PDT)
[AMBER] antechamber am1-bcc issues
David Mobley
(Fri Aug 07 2009 - 11:19:53 PDT)
[AMBER] Re: antechamber am1-bcc issues
case
(Fri Aug 07 2009 - 16:54:38 PDT)
Re: [AMBER] Re: antechamber am1-bcc issues
gilbert.bluemarble.net
(Sat Aug 08 2009 - 06:55:40 PDT)
Re: [AMBER] Re: antechamber am1-bcc issues
case
(Sat Aug 08 2009 - 12:20:44 PDT)
Re: [AMBER] Re: antechamber am1-bcc issues
David Mobley
(Thu Aug 13 2009 - 06:25:52 PDT)
Re: [AMBER] Re: antechamber am1-bcc issues
Khavrutskii, Ilja
(Fri Aug 21 2009 - 09:27:28 PDT)
Re: [AMBER] Re: antechamber am1-bcc issues
Khavrutskii, Ilja
(Fri Aug 21 2009 - 12:32:34 PDT)
Re: [AMBER] antechamber am1-bcc issues
Khavrutskii, Ilja
(Tue Aug 18 2009 - 14:00:03 PDT)
Re: [AMBER] antechamber am1-bcc issues
Alan
(Thu Aug 20 2009 - 01:28:09 PDT)
Re: [AMBER] antechamber am1-bcc issues
Khavrutskii, Ilja
(Thu Aug 20 2009 - 04:37:47 PDT)
RE: [AMBER] antechamber am1-bcc issues
Ross Walker
(Thu Aug 20 2009 - 07:29:14 PDT)
Re: [AMBER] antechamber am1-bcc issues
Khavrutskii, Ilja
(Thu Aug 20 2009 - 05:03:43 PDT)
Re: [AMBER] antechamber am1-bcc issues
gilbert.bluemarble.net
(Thu Aug 20 2009 - 05:37:53 PDT)
Re: [AMBER] antechamber am1-bcc issues
Khavrutskii, Ilja
(Thu Aug 20 2009 - 06:04:44 PDT)
Re: [AMBER] antechamber am1-bcc issues
case
(Thu Aug 20 2009 - 04:18:52 PDT)
[AMBER] Error in equilibration: file _ew_box.f
Biswaranjan Meher
(Fri Aug 07 2009 - 13:39:00 PDT)
Re: [AMBER] Error in equilibration: file _ew_box.f
case
(Fri Aug 07 2009 - 15:34:29 PDT)
[AMBER] Why..QM/MM
s. Bill
(Sat Aug 08 2009 - 04:26:46 PDT)
RE: [AMBER] Why..QM/MM
Ross Walker
(Sat Aug 08 2009 - 10:00:27 PDT)
[AMBER] hydrogen bond?
Jio M
(Sun Aug 09 2009 - 04:29:23 PDT)
[AMBER] Regarding Minimization maxcyc
Ashish Runthala
(Sun Aug 09 2009 - 07:09:58 PDT)
Re: [AMBER] Regarding Minimization maxcyc
case
(Mon Aug 10 2009 - 07:43:00 PDT)
[AMBER] DivCon - QM/MM
s. Bill
(Mon Aug 10 2009 - 07:11:39 PDT)
Solved thanks Re: [AMBER] DivCon - QM/MM
s. Bill
(Tue Aug 11 2009 - 00:54:38 PDT)
[AMBER] Any Comment, please
s. Bill
(Tue Aug 11 2009 - 00:56:20 PDT)
AW: [AMBER] Any Comment, please
Aust, Susanne
(Tue Aug 11 2009 - 01:17:18 PDT)
Re: AW: [AMBER] Any Comment, please
s. Bill
(Tue Aug 11 2009 - 01:22:16 PDT)
AW: AW: [AMBER] Any Comment, please
Aust, Susanne
(Tue Aug 11 2009 - 01:36:34 PDT)
[AMBER] MM-GBSA nmode error for explicit solvent system only but not for implicit solvent system. Why?
Catein Catherine
(Tue Aug 11 2009 - 04:10:09 PDT)
Re: [AMBER] MM-GBSA nmode error for explicit solvent system only but not for implicit solvent system. Why?
case
(Tue Aug 11 2009 - 04:54:43 PDT)
RE: [AMBER] MM-GBSA nmode error for explicit solvent system only but not for implicit solvent system. Why?
Catein Catherine
(Wed Aug 12 2009 - 19:23:40 PDT)
Re: [AMBER] MM-GBSA nmode error for explicit solvent system only but not for implicit solvent system. Why?
case
(Thu Aug 13 2009 - 04:46:02 PDT)
RE: [AMBER] MM-GBSA nmode error for explicit solvent system only but not for implicit solvent system. Why?
Catein Catherine
(Thu Aug 13 2009 - 20:38:02 PDT)
Re: [AMBER] MM-GBSA nmode error for explicit solvent system only but not for implicit solvent system. Why?
Ashish Runthala
(Fri Aug 14 2009 - 23:05:53 PDT)
RE: [AMBER] MM-GBSA nmode error for explicit solvent system only but not for implicit solvent system. Why?
Catein Catherine
(Sat Aug 15 2009 - 19:45:34 PDT)
Re: [AMBER] MM-GBSA nmode error for explicit solvent system only but not for implicit solvent system. Why?
Ashish Runthala
(Sat Aug 15 2009 - 20:59:11 PDT)
RE: [AMBER] MM-GBSA nmode error for explicit solvent system only but not for implicit solvent system. Why?
Catein Catherine
(Sat Aug 15 2009 - 21:12:42 PDT)
[AMBER] Should I neutralize the models with Na+ or Mg2+ containing DNA and protein residues
Catein Catherine
(Sat Aug 15 2009 - 21:18:28 PDT)
Re: [AMBER] Should I neutralize the models with Na+ or Mg2+ containing DNA and protein residues
case
(Sun Aug 16 2009 - 06:14:14 PDT)
RE: [AMBER] MM-GBSA nmode error for explicit solvent system only but not for implicit solvent system. Why?
Ross Walker
(Sat Aug 15 2009 - 21:40:26 PDT)
RE: [AMBER] MM-GBSA nmode error for explicit solvent system only but not for implicit solvent system. Why?
Catein Catherine
(Sun Aug 16 2009 - 22:58:49 PDT)
Re: [AMBER] MM-GBSA nmode error for explicit solvent system only but not for implicit solvent system. Why?
Ashish Runthala
(Sun Aug 16 2009 - 23:21:45 PDT)
Re: [AMBER] MM-GBSA nmode error for explicit solvent system only but not for implicit solvent system. Why?
case
(Mon Aug 17 2009 - 19:56:17 PDT)
Re: [AMBER] MM-GBSA nmode error for explicit solvent system only but not for implicit solvent system. Why?
Ashish Runthala
(Mon Aug 17 2009 - 20:02:43 PDT)
[AMBER] Is it the correct procedures to strip water for MM/GBSA calculations?
Catein Catherine
(Mon Aug 17 2009 - 22:06:18 PDT)
[AMBER] How to strip water for MM/GBSA calculations?
Catein Catherine
(Fri Aug 21 2009 - 03:38:27 PDT)
Re: [AMBER] How to strip water for MM/GBSA calculations?
Carlos Simmerling
(Fri Aug 21 2009 - 03:53:59 PDT)
[AMBER] Can I do DNA bending with AMBER?
Catein Catherine
(Sat Aug 15 2009 - 21:15:26 PDT)
[AMBER] What is the parameters for Mg2+?
Catein Catherine
(Sat Aug 15 2009 - 21:21:46 PDT)
Re: [AMBER] What is the parameters for Mg2+?
Tom Joseph
(Sun Aug 16 2009 - 09:00:35 PDT)
RE: [AMBER] What is the parameters for Mg2+?
Catein Catherine
(Sun Aug 16 2009 - 22:59:23 PDT)
Re: [AMBER] Can I do DNA bending with AMBER?
case
(Sun Aug 16 2009 - 06:13:05 PDT)
RE: [AMBER] Can I do DNA bending with AMBER?
Catein Catherine
(Sun Aug 16 2009 - 23:00:08 PDT)
[AMBER] Amber99SB
eric johnson
(Tue Aug 11 2009 - 07:33:34 PDT)
Re: [AMBER] Amber99SB
Carlos Simmerling
(Tue Aug 11 2009 - 07:42:44 PDT)
[AMBER] suggestions pls
Jio M
(Tue Aug 11 2009 - 10:44:19 PDT)
[AMBER] measuring volume of the binding pocket
Mannan
(Tue Aug 11 2009 - 19:03:49 PDT)
[AMBER] Measuring volume of the binding pocket
Mannan
(Tue Aug 11 2009 - 19:31:18 PDT)
Re: [AMBER] suggestions pls
Ashish Runthala
(Tue Aug 11 2009 - 19:40:40 PDT)
Re: [AMBER] suggestions pls
Jio M
(Wed Aug 12 2009 - 06:04:16 PDT)
[AMBER] query regarding fes cluster
subarna thakur
(Tue Aug 11 2009 - 22:39:55 PDT)
Re: [AMBER] query regarding fes cluster
FyD
(Wed Aug 12 2009 - 06:00:37 PDT)
[AMBER] gaussian 98 input/output for antechamber/resp
wong105.llnl.gov
(Wed Aug 12 2009 - 11:41:45 PDT)
Re: [AMBER] gaussian 98 input/output for antechamber/resp
Karl Kirschner
(Wed Aug 12 2009 - 23:57:41 PDT)
Re: [AMBER] gaussian 98 input/output for antechamber/resp
Karl Kirschner
(Thu Aug 13 2009 - 00:26:12 PDT)
[AMBER] REMD using hybrid solvent model
Morad Mustafa
(Wed Aug 12 2009 - 12:05:40 PDT)
[AMBER] CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS FULL PDB
Manish Kumar
(Wed Aug 12 2009 - 12:44:37 PDT)
Re: [AMBER] CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS FULL PDB
case
(Wed Aug 12 2009 - 12:57:33 PDT)
Re: [AMBER] CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS FULL PDB
Hector A. Baldoni
(Wed Aug 12 2009 - 13:43:28 PDT)
[Amber]: REMD using hybrid solvent model
Morad Mustafa
(Wed Aug 12 2009 - 14:30:01 PDT)
Re: [Amber]: REMD using hybrid solvent model
Carlos Simmerling
(Wed Aug 12 2009 - 16:52:56 PDT)
Re: [Amber]: REMD using hybrid solvent model
Morad Mustafa
(Fri Aug 14 2009 - 05:44:44 PDT)
[AMBER] Gaussian network model (GNM)
Chih-Ying Lin
(Fri Aug 21 2009 - 17:39:07 PDT)
Re: [AMBER] Gaussian network model (GNM)
Adrian Roitberg
(Fri Aug 21 2009 - 17:49:04 PDT)
Re: [Amber]: REMD using hybrid solvent model
Carlos Simmerling
(Wed Aug 12 2009 - 16:54:20 PDT)
[AMBER] sourcing leap commands in log file
Donald Keidel
(Wed Aug 12 2009 - 17:32:31 PDT)
Re: [AMBER] sourcing leap commands in log file
Bill Ross
(Wed Aug 12 2009 - 17:47:57 PDT)
Re: [AMBER] sourcing leap commands in log file
Ashish Runthala
(Fri Aug 14 2009 - 23:50:31 PDT)
[AMBER] reset velocity
Parimal Kar
(Wed Aug 12 2009 - 18:01:33 PDT)
Re: [AMBER] reset velocity
Tom Joseph
(Wed Aug 12 2009 - 23:26:48 PDT)
[AMBER] ptraj imaging of namd generated trajectories
Vlad Cojocaru
(Thu Aug 13 2009 - 02:35:49 PDT)
[AMBER] Re: ptraj imaging of namd generated trajectories
Vlad Cojocaru
(Thu Aug 13 2009 - 03:10:54 PDT)
[AMBER] ptraj-image
Nancy
(Thu Aug 13 2009 - 03:35:01 PDT)
[AMBER] box problem
Nancy
(Thu Aug 13 2009 - 04:20:20 PDT)
Re: [AMBER] box problem
case
(Thu Aug 13 2009 - 04:50:54 PDT)
Re:Re: [AMBER] box problem
Nancy
(Thu Aug 13 2009 - 19:43:02 PDT)
Re: Re: [AMBER] box problem
Ashish Runthala
(Fri Aug 14 2009 - 23:12:10 PDT)
Re:Re: Re: [AMBER] box problem
Nancy
(Sun Aug 16 2009 - 00:31:02 PDT)
Re: Re: Re: [AMBER] box problem
Ashish Runthala
(Sun Aug 16 2009 - 07:00:50 PDT)
[AMBER] Conference or workshop on AMBER?
Catein Catherine
(Sun Aug 16 2009 - 22:56:41 PDT)
RE: [AMBER] Conference or workshop on AMBER?
Ross Walker
(Mon Aug 17 2009 - 07:22:14 PDT)
RE: [AMBER] Conference or workshop on AMBER?
Catein Catherine
(Mon Aug 17 2009 - 19:30:04 PDT)
RE: [AMBER] Conference or workshop on AMBER?
Ross Walker
(Mon Aug 17 2009 - 20:00:14 PDT)
Re: [AMBER] Conference or workshop on AMBER?
Ashish Runthala
(Mon Aug 17 2009 - 20:04:12 PDT)
RE: [AMBER] Conference or workshop on AMBER?
Ross Walker
(Mon Aug 17 2009 - 21:15:52 PDT)
RE: [AMBER] Conference or workshop on AMBER? Thank you.
Catein Catherine
(Mon Aug 17 2009 - 23:44:45 PDT)
RE: [AMBER] Conference or workshop on AMBER?
Dharmik Meghana shankar
(Mon Aug 17 2009 - 22:25:25 PDT)
Re: [AMBER] box problem
Nancy
(Mon Aug 17 2009 - 20:02:21 PDT)
Re: [AMBER] box problem
Ashish Runthala
(Mon Aug 17 2009 - 20:08:28 PDT)
Re:Re: [AMBER] box problem
Nancy
(Mon Aug 17 2009 - 20:18:02 PDT)
Re:Re: [AMBER] box problem
Nancy
(Mon Aug 17 2009 - 20:27:59 PDT)
RE: Re: [AMBER] box problem
Ross Walker
(Sun Aug 16 2009 - 09:59:59 PDT)
Re:Re: [AMBER] box problem
Nancy
(Mon Aug 17 2009 - 19:49:20 PDT)
[AMBER] NAB optimization
ondrej.prenosil.marge.uochb.cas.cz
(Thu Aug 13 2009 - 06:45:26 PDT)
Re: [AMBER] NAB optimization
case
(Thu Aug 13 2009 - 06:56:28 PDT)
[AMBER] drying of solvent possible ?
Jio M
(Thu Aug 13 2009 - 06:49:00 PDT)
[AMBER] Strange QM/MM Divcon - help me out
s. Bill
(Thu Aug 13 2009 - 08:37:54 PDT)
Re: [AMBER] Strange QM/MM Divcon - help me out
case
(Thu Aug 13 2009 - 08:52:34 PDT)
Re: [AMBER] Strange QM/MM Divcon - help me out
Ashish Runthala
(Fri Aug 14 2009 - 23:42:38 PDT)
RE: [AMBER] Strange QM/MM Divcon - help me out
Ross Walker
(Sun Aug 16 2009 - 09:55:01 PDT)
[AMBER] QM/MM types.
ros.servidor.unam.mx
(Thu Aug 13 2009 - 08:49:02 PDT)
RE: [AMBER] QM/MM types.
Ross Walker
(Thu Aug 13 2009 - 09:11:57 PDT)
Re: [AMBER] drying of solvent possible ?
Bill Ross
(Thu Aug 13 2009 - 09:21:35 PDT)
Re: [AMBER] drying of solvent possible ?
Jio M
(Fri Aug 14 2009 - 22:59:08 PDT)
[AMBER] Protein Domain Motion
Chih-Ying Lin
(Thu Aug 13 2009 - 12:20:09 PDT)
Re: [AMBER] Protein Domain Motion
Carlos Simmerling
(Thu Aug 13 2009 - 12:39:39 PDT)
Re: [AMBER] Protein Domain Motion
Chih-Ying Lin
(Thu Aug 13 2009 - 18:51:14 PDT)
Re: [AMBER] Protein Domain Motion
Carlos Simmerling
(Fri Aug 14 2009 - 05:17:28 PDT)
[AMBER] Charge Problem
s. Bill
(Fri Aug 14 2009 - 01:25:05 PDT)
Re: [AMBER] Charge Problem
Karl Kirschner
(Fri Aug 14 2009 - 01:55:07 PDT)
Re: [AMBER] Charge Problem
FyD
(Sat Aug 15 2009 - 05:06:45 PDT)
[AMBER] MM_PBSA not successful
workalemahu berhanu
(Fri Aug 14 2009 - 14:45:41 PDT)
Re: [AMBER] MM_PBSA not successful
Jordan Monnet
(Fri Aug 14 2009 - 17:05:00 PDT)
Re: [AMBER] MM_PBSA not successful
workalemahu berhanu
(Fri Aug 14 2009 - 19:21:32 PDT)
Re: [AMBER] MM_PBSA not successful
Qinghua Liao
(Fri Aug 14 2009 - 18:20:55 PDT)
Re: [AMBER] MM_PBSA not successful
workalemahu berhanu
(Fri Aug 14 2009 - 19:36:39 PDT)
Re: [AMBER] MM_PBSA not successful
Qinghua Liao
(Fri Aug 14 2009 - 19:43:23 PDT)
Re: [AMBER] MM_PBSA not successful
workalemahu berhanu
(Fri Aug 14 2009 - 21:22:57 PDT)
Re: [AMBER] MM_PBSA not successful
Qinghua Liao
(Fri Aug 14 2009 - 23:55:40 PDT)
Re: [AMBER] MM_PBSA not successful
monnet.jordan.free.fr
(Sat Aug 15 2009 - 15:10:08 PDT)
Re: [AMBER] MM_PBSA not successful
workalemahu berhanu
(Sun Aug 16 2009 - 10:22:01 PDT)
RE: [AMBER] MM_PBSA not successful
Ross Walker
(Sun Aug 16 2009 - 11:15:42 PDT)
[AMBER] AMBER job restart problem
Kefa Lu
(Sat Aug 15 2009 - 01:22:08 PDT)
Re: [AMBER] AMBER job restart problem
Ashish Runthala
(Sat Aug 15 2009 - 02:57:48 PDT)
Re: [AMBER] AMBER job restart problem
Kefa Lu
(Sat Aug 15 2009 - 03:12:21 PDT)
Re: [AMBER] AMBER job restart problem
case
(Sat Aug 15 2009 - 06:49:44 PDT)
Re: [AMBER] AMBER job restart problem
Ashish Runthala
(Sat Aug 15 2009 - 07:39:56 PDT)
Re: [AMBER] AMBER job restart problem
case
(Sat Aug 15 2009 - 08:40:51 PDT)
Re: [AMBER] AMBER job restart problem
Thomas Cheatham
(Sat Aug 15 2009 - 08:49:10 PDT)
Re: [AMBER] AMBER job restart problem
Kefa Lu
(Sat Aug 15 2009 - 21:36:59 PDT)
Re: [AMBER] AMBER job restart problem
Thomas Cheatham
(Sat Aug 15 2009 - 21:44:27 PDT)
Re: [AMBER] AMBER job restart problem
Kefa Lu
(Sat Aug 15 2009 - 22:09:22 PDT)
[AMBER] AMBER on a Mac Mini cluster PoC
Abdul Rehman Gani
(Sun Aug 16 2009 - 08:51:44 PDT)
RE: [AMBER] AMBER on a Mac Mini cluster PoC
Ross Walker
(Sun Aug 16 2009 - 10:08:47 PDT)
Re: [AMBER] AMBER on a Mac Mini cluster PoC
Alan
(Sun Aug 16 2009 - 15:30:19 PDT)
Re: [AMBER] AMBER on a Mac Mini cluster PoC
Abdul Rehman Gani
(Mon Aug 17 2009 - 01:13:38 PDT)
Re: [AMBER] AMBER on a Mac Mini cluster PoC
Alan
(Mon Aug 17 2009 - 03:50:30 PDT)
Re: [AMBER] AMBER on a Mac Mini cluster PoC
Abdul Rehman Gani
(Mon Aug 17 2009 - 05:31:37 PDT)
Re: [AMBER] AMBER on a Mac Mini cluster PoC - solved
Abdul Rehman Gani
(Mon Aug 17 2009 - 07:44:07 PDT)
Re: [AMBER] MM-PBSA: decompose energy error
Maria Mirza
(Sun Aug 16 2009 - 12:49:06 PDT)
[AMBER] Variations of the number of total hydrogen bond in MD simulations using ptraj
workalemahu berhanu
(Sun Aug 16 2009 - 13:13:21 PDT)
RE: [AMBER] Variations of the number of total hydrogen bond in MD simulations using ptraj
Ross Walker
(Sun Aug 16 2009 - 17:30:47 PDT)
Re: [AMBER] Variations of the number of total hydrogen bond in MD simulations using ptraj
workalemahu berhanu
(Mon Aug 17 2009 - 06:26:35 PDT)
Re: [AMBER] Variations of the number of total hydrogen bond in MD simulations using ptraj
Paul Frybarger
(Mon Aug 17 2009 - 10:57:28 PDT)
[AMBER] gaussain output
subarna thakur
(Mon Aug 17 2009 - 00:11:00 PDT)
Re: [AMBER] gaussain output
FyD
(Mon Aug 17 2009 - 02:50:53 PDT)
Re: [AMBER] gaussain output
FyD
(Mon Aug 17 2009 - 15:59:39 PDT)
[AMBER] [AmberTool] xleap problem
주태성
(Mon Aug 17 2009 - 01:57:37 PDT)
[AMBER] amber 10 test fails with pathscale 3.2
Raj
(Mon Aug 17 2009 - 05:54:45 PDT)
RE: [AMBER] amber 10 test fails with pathscale 3.2
Ross Walker
(Mon Aug 17 2009 - 09:34:28 PDT)
[AMBER] amber test fails with ICC 11.0.081
Raj
(Mon Aug 17 2009 - 07:57:57 PDT)
Re: [AMBER] amber test fails with ICC 11.0.081
Carlos Simmerling
(Mon Aug 17 2009 - 08:16:26 PDT)
[AMBER] Can i link and refine two domains of a single protein
Ashish Runthala
(Mon Aug 17 2009 - 08:32:33 PDT)
[AMBER] Re: [q4md-fft] charge calculation
FyD
(Mon Aug 17 2009 - 16:40:49 PDT)
[AMBER] AMBER is running silently
Kefa Lu
(Mon Aug 17 2009 - 15:47:34 PDT)
Re: [AMBER] AMBER is running silently
Bill Ross
(Mon Aug 17 2009 - 16:04:02 PDT)
Re: [AMBER] AMBER is running silently
Kefa Lu
(Mon Aug 17 2009 - 16:10:17 PDT)
RE: [AMBER] AMBER is running silently
Ross Walker
(Mon Aug 17 2009 - 16:33:09 PDT)
Re: [AMBER] AMBER is running silently
Kefa Lu
(Mon Aug 17 2009 - 18:25:14 PDT)
[AMBER] antechamber execution
subarna thakur
(Mon Aug 17 2009 - 23:06:52 PDT)
Re: [AMBER] antechamber execution
FyD
(Tue Aug 18 2009 - 16:59:40 PDT)
[AMBER] Can i link and refine the modeled domains with different proteins bound on it
Ashish Runthala
(Tue Aug 18 2009 - 04:13:23 PDT)
[AMBER] RDC import from PALES
Thomas Pochapsky
(Tue Aug 18 2009 - 07:33:42 PDT)
Re: [AMBER] RDC import from PALES
case
(Fri Aug 28 2009 - 05:01:30 PDT)
[AMBER] Dimethyl Sulfoxide (DMSO) cartesian coordinates?
Jose Borreguero
(Tue Aug 18 2009 - 07:37:39 PDT)
Re: [AMBER] Dimethyl Sulfoxide (DMSO) cartesian coordinates?
FyD
(Tue Aug 18 2009 - 17:05:19 PDT)
Re: [AMBER] Dimethyl Sulfoxide (DMSO) cartesian coordinates?
Jose Borreguero
(Tue Aug 18 2009 - 15:33:32 PDT)
Re: [AMBER] Dimethyl Sulfoxide (DMSO) cartesian coordinates?
Bill Ross
(Tue Aug 18 2009 - 15:59:12 PDT)
[AMBER] ***PROBLEMS WITH GROUPLRES
Maria Mirza
(Tue Aug 18 2009 - 17:34:41 PDT)
[AMBER] Distance restraint and periodic boundary conditions
Cyril Falvo
(Tue Aug 18 2009 - 17:58:29 PDT)
Re: [AMBER] Distance restraint and periodic boundary conditions
Thomas Cheatham
(Tue Aug 18 2009 - 18:23:56 PDT)
Re: [AMBER] Distance restraint and periodic boundary conditions
case
(Tue Aug 18 2009 - 19:02:45 PDT)
Re: [AMBER] Distance restraint and periodic boundary conditions
Peter Varnai
(Wed Aug 19 2009 - 08:13:04 PDT)
Re: [AMBER] Distance restraint and periodic boundary conditions
Peter Varnai
(Wed Aug 19 2009 - 09:16:01 PDT)
Re: [AMBER] Distance restraint and periodic boundary conditions
Keith Van Nostrand
(Wed Aug 19 2009 - 09:44:49 PDT)
Re: [AMBER] Distance restraint and periodic boundary conditions
case
(Wed Aug 19 2009 - 17:53:15 PDT)
Re: [AMBER] Distance restraint and periodic boundary conditions
Peter Varnai
(Thu Aug 20 2009 - 08:23:48 PDT)
Re: [AMBER] Distance restraint and periodic boundary conditions
Robert Duke
(Sun Aug 23 2009 - 07:50:56 PDT)
[AMBER] RESP charges of Fe4S4 cluster
subarna thakur
(Wed Aug 19 2009 - 00:53:20 PDT)
Re: [AMBER] RESP charges of Fe4S4 cluster
vhakkim boy
(Wed Aug 19 2009 - 01:40:59 PDT)
Re: [AMBER] RESP charges of Fe4S4 cluster
case
(Fri Aug 21 2009 - 07:13:23 PDT)
AW: [AMBER] Conference or workshop on AMBER?
Aust, Susanne
(Wed Aug 19 2009 - 01:16:21 PDT)
[AMBER] resp calculation for rubredoxin
vhakkim boy
(Wed Aug 19 2009 - 03:11:22 PDT)
[AMBER] Problem with loading PDB into tleap
Kamali Sripathi
(Wed Aug 19 2009 - 06:21:30 PDT)
Re: [AMBER] Problem with loading PDB into tleap
Ashish Runthala
(Wed Aug 19 2009 - 06:56:59 PDT)
Re: [AMBER] Problem with loading PDB into tleap
Kamali Sripathi
(Wed Aug 19 2009 - 07:06:15 PDT)
Re: [AMBER] Problem with loading PDB into tleap
Ashish Runthala
(Wed Aug 19 2009 - 08:03:19 PDT)
Re: [AMBER] Problem with loading PDB into tleap
ksripath.umich.edu
(Wed Aug 19 2009 - 12:00:22 PDT)
[AMBER] angle with ptraj
E.M.
(Wed Aug 19 2009 - 12:27:29 PDT)
RE: [AMBER] angle with ptraj
Seetin, Matthew
(Wed Aug 19 2009 - 12:42:07 PDT)
[AMBER] Re: angle with ptraj
E.M.
(Wed Aug 19 2009 - 12:44:56 PDT)
Re: [AMBER] Problem with loading PDB into tleap
case
(Wed Aug 19 2009 - 16:55:52 PDT)
Re: [AMBER] Problem with loading PDB into tleap
Ashish Runthala
(Wed Aug 19 2009 - 19:53:04 PDT)
[AMBER] why is nonpolar solvation energy not implemented for dynamic in amber
TaoPaul
(Wed Aug 19 2009 - 08:29:38 PDT)
[AMBER] ptraj cluster - snapshot number of a representative structure
Marcin Krol
(Thu Aug 20 2009 - 01:26:09 PDT)
Re: [AMBER] ptraj cluster - snapshot number of a representative structure
Jianyin Shao
(Thu Aug 20 2009 - 08:50:22 PDT)
[AMBER] box volume not understood?
Jio M
(Thu Aug 20 2009 - 06:54:52 PDT)
RE: [AMBER] box volume not understood?
Ross Walker
(Thu Aug 20 2009 - 08:43:42 PDT)
RE: [AMBER] box volume not understood?
Jio M
(Thu Aug 20 2009 - 11:26:41 PDT)
RE: [AMBER] box volume not understood?
Ross Walker
(Thu Aug 20 2009 - 16:21:00 PDT)
RE: [AMBER] box volume not understood?
Jio M
(Thu Aug 20 2009 - 21:43:31 PDT)
RE: [AMBER] box volume not understood?
Bill Ross
(Thu Aug 20 2009 - 19:53:52 PDT)
RE: [AMBER] box volume not understood?
Bill Ross
(Fri Aug 21 2009 - 09:15:51 PDT)
[AMBER] center of mass
dhacademic
(Thu Aug 20 2009 - 13:50:47 PDT)
[AMBER] mm_pbsa-Binding and Stability tests?
Antonija Tomić
(Fri Aug 21 2009 - 03:04:35 PDT)
RE: [AMBER] mm_pbsa-Binding and Stability tests?
Niel Henriksen
(Fri Aug 21 2009 - 07:52:49 PDT)
RE: [AMBER] mm_pbsa-Binding and Stability tests?
Antonija Tomić
(Mon Aug 24 2009 - 02:51:28 PDT)
RE: [AMBER] mm_pbsa-Binding and Stability tests?
Niel Henriksen
(Mon Aug 24 2009 - 10:24:09 PDT)
RE: [AMBER] mm_pbsa-Binding and Stability tests?
Antonija Tomić
(Wed Aug 26 2009 - 02:15:54 PDT)
Re: [AMBER] mm_pbsa-Binding and Stability tests?
Ray Luo
(Fri Aug 21 2009 - 14:29:58 PDT)
[AMBER] update on am1-bcc charge problem in antechamber
case
(Fri Aug 21 2009 - 09:32:30 PDT)
RE: [AMBER] PMEMD 10 overflow issues
Ross Walker
(Fri Aug 21 2009 - 13:57:12 PDT)
RE: [AMBER] PMEMD 10 overflow issues
ben rodriguez
(Fri Aug 21 2009 - 14:17:36 PDT)
Re: [AMBER] PMEMD 10 overflow issues
Ashish Runthala
(Fri Aug 21 2009 - 19:52:55 PDT)
RE: [AMBER] PMEMD 10 overflow issues
Ross Walker
(Sat Aug 22 2009 - 10:21:30 PDT)
RE: [AMBER] PMEMD 10 overflow issues
Ross Walker
(Sat Aug 22 2009 - 10:25:31 PDT)
[AMBER] protein-ligand binding simulation times
Andrew Voronkov
(Fri Aug 21 2009 - 22:09:54 PDT)
Re: [AMBER] protein-ligand binding simulation times
steinbrt.rci.rutgers.edu
(Sat Aug 22 2009 - 02:50:35 PDT)
Re: [AMBER] protein-ligand binding simulation times
Andrew Voronkov
(Sat Aug 22 2009 - 03:32:42 PDT)
[AMBER] ambpdb water removal for rst files
Andrew Voronkov
(Fri Aug 21 2009 - 23:53:14 PDT)
Re: [AMBER] ambpdb water removal for rst files
Bill Ross
(Sat Aug 22 2009 - 07:45:30 PDT)
[AMBER] ptraj-rms vs carnal; questions on RMSD of ligand drift
Andrew Voronkov
(Sun Aug 23 2009 - 04:55:01 PDT)
[AMBER] Re: AMBER: WARNING in readAmberTrajectory(): Set #7918 is corrupted (-)
Andrew Voronkov
(Sun Aug 23 2009 - 06:48:07 PDT)
[AMBER] acetone lib and frcmod files?
Jose Borreguero
(Sun Aug 23 2009 - 14:36:43 PDT)
RE: [AMBER] acetone lib and frcmod files?
Ross Walker
(Sun Aug 23 2009 - 22:08:16 PDT)
RE: [AMBER] acetone lib and frcmod files?
FyD
(Mon Aug 24 2009 - 00:31:40 PDT)
Re: [AMBER] acetone lib and frcmod files?
Jose Borreguero
(Mon Aug 24 2009 - 05:56:51 PDT)
Re: [AMBER] acetone lib and frcmod files?
FyD
(Mon Aug 24 2009 - 13:13:33 PDT)
Re: [AMBER] acetone lib and frcmod files?
Jose Borreguero
(Mon Aug 24 2009 - 14:34:07 PDT)
Re: [AMBER] acetone lib and frcmod files?
FyD
(Tue Aug 25 2009 - 00:47:50 PDT)
Re: [AMBER] acetone lib and frcmod files?
FyD
(Tue Aug 25 2009 - 00:50:57 PDT)
[AMBER] ABMD Reaction Coordinates
stephane acoca
(Sun Aug 23 2009 - 20:11:09 PDT)
[AMBER] ABMD Reaction Coordinates
stephane acoca
(Sun Aug 23 2009 - 20:24:32 PDT)
[AMBER] ABMD Reaction Coordinates
stephane acoca
(Sun Aug 23 2009 - 20:25:43 PDT)
[AMBER] ABMD Reaction Coordinates
stephane acoca
(Sun Aug 23 2009 - 22:04:58 PDT)
[AMBER] Note regarding posting of the same message multiple times
Ross Walker
(Sun Aug 23 2009 - 22:19:36 PDT)
[AMBER] Meaning of GMAX
E.M.
(Mon Aug 24 2009 - 02:05:10 PDT)
Re: [AMBER] Meaning of GMAX
case
(Mon Aug 24 2009 - 04:44:34 PDT)
Re: [AMBER] Meaning of GMAX
Ashish Runthala
(Mon Aug 24 2009 - 07:59:53 PDT)
Re: [AMBER] Meaning of GMAX
Adrian Roitberg
(Mon Aug 24 2009 - 08:05:36 PDT)
Re: [AMBER] Meaning of GMAX
Ashish Runthala
(Mon Aug 24 2009 - 08:38:46 PDT)
[AMBER] how to add a new atomtype for MM/GB/SA decomposition analysis
TaoPaul
(Mon Aug 24 2009 - 07:03:51 PDT)
[AMBER] ptraj limit on trajectory size
Sasha Buzko
(Mon Aug 24 2009 - 09:59:30 PDT)
RE: [AMBER] ptraj limit on trajectory size
Ross Walker
(Mon Aug 24 2009 - 15:07:00 PDT)
Re: [AMBER] ptraj limit on trajectory size
Sasha Buzko
(Mon Aug 24 2009 - 15:31:14 PDT)
[AMBER] problem compiling amber tools with gcc-4.4.1
gilbert.bluemarble.net
(Mon Aug 24 2009 - 20:07:44 PDT)
Re: [AMBER] problem compiling amber tools with gcc-4.4.1
case
(Tue Aug 25 2009 - 05:52:35 PDT)
[AMBER] sander does not print out all residues in range.
Maria Mirza
(Mon Aug 24 2009 - 21:32:31 PDT)
RE: [AMBER] sander does not print out all residues in range.
Ross Walker
(Mon Aug 24 2009 - 22:00:03 PDT)
Re: [AMBER] sander does not print out all residues in range.
Maria Mirza
(Mon Aug 24 2009 - 22:17:59 PDT)
[AMBER] NATOM in prmtop and inpcrd files does not agree with the input
Maria Mirza
(Mon Aug 24 2009 - 21:41:39 PDT)
RE: [AMBER] NATOM in prmtop and inpcrd files does not agree with the input
Ross Walker
(Mon Aug 24 2009 - 21:55:52 PDT)
Re: [AMBER] NATOM in prmtop and inpcrd files does not agree with the input
Ashish Runthala
(Mon Aug 24 2009 - 22:45:33 PDT)
RE: [AMBER] NATOM in prmtop and inpcrd files does not agree with the input
Ross Walker
(Tue Aug 25 2009 - 10:55:39 PDT)
[AMBER] ambertools test faied
subarna thakur
(Tue Aug 25 2009 - 04:01:12 PDT)
Re: [AMBER] ambertools test faied
case
(Tue Aug 25 2009 - 04:39:16 PDT)
[AMBER] Epsilon value for Iron
bharat lakhani
(Tue Aug 25 2009 - 05:24:10 PDT)
[AMBER] how much % of the total protein motion are described by the first eigenvector?
Catein Catherine
(Wed Aug 26 2009 - 02:05:17 PDT)
Re: [AMBER] how much % of the total protein motion are described by the first eigenvector?
Hannes Loeffler
(Wed Aug 26 2009 - 02:41:31 PDT)
RE: [AMBER] how much % of the total protein motion are described by the first eigenvector?
Catein Catherine
(Wed Aug 26 2009 - 22:58:27 PDT)
RE: [AMBER] how much % of the total protein motion are described by the first eigenvector?
Hannes Loeffler
(Thu Aug 27 2009 - 00:21:28 PDT)
RE: [AMBER] how much % of the total protein motion are described by the first eigenvector?
Catein Catherine
(Thu Aug 27 2009 - 03:02:37 PDT)
Re: [AMBER] how much % of the total protein motion are described by the first eigenvector?
jackie
(Thu Aug 27 2009 - 08:52:19 PDT)
[AMBER] Single Adenine
ros
(Tue Aug 25 2009 - 23:09:23 PDT)
Re: [AMBER] Single Adenine
case
(Wed Aug 26 2009 - 04:36:09 PDT)
Re: [AMBER] Single Adenine
case
(Wed Aug 26 2009 - 04:48:36 PDT)
Re: [AMBER] Single Adenine
ros
(Wed Aug 26 2009 - 10:50:54 PDT)
Re: [AMBER] Single Adenine
FyD
(Thu Aug 27 2009 - 00:05:54 PDT)
Re: [AMBER] Single Adenine
ros
(Thu Aug 27 2009 - 09:27:06 PDT)
Re: [AMBER] Single Adenine
FyD
(Thu Aug 27 2009 - 14:20:48 PDT)
Re: [AMBER] Single Adenine
Bill Ross
(Wed Aug 26 2009 - 12:28:31 PDT)
[AMBER] Chirality error in pdb
xiawei
(Wed Aug 26 2009 - 00:02:43 PDT)
Re: [AMBER] Chirality error in pdb
case
(Wed Aug 26 2009 - 04:52:18 PDT)
RE: [AMBER] Chirality error in pdb
xiawei
(Thu Aug 27 2009 - 23:41:45 PDT)
Re: [AMBER] Chirality error in pdb
case
(Fri Aug 28 2009 - 04:33:41 PDT)
[AMBER] ZPVE simple question
ondrej.prenosil.marge.uochb.cas.cz
(Wed Aug 26 2009 - 02:42:04 PDT)
Re: [AMBER] ZPVE simple question
Jerome.GOLEBIOWSKI.unice.fr
(Wed Aug 26 2009 - 04:15:00 PDT)
Re: [AMBER] ZPVE simple question
case
(Wed Aug 26 2009 - 04:41:27 PDT)
[AMBER] Need you help
bharat lakhani
(Wed Aug 26 2009 - 06:41:17 PDT)
Re: [AMBER] Need you help
Carlos Simmerling
(Wed Aug 26 2009 - 06:48:20 PDT)
[AMBER] Re: question_on_MMPBSA
jackie
(Wed Aug 26 2009 - 08:08:01 PDT)
RE: [AMBER] Re: question_on_MMPBSA
Catein Catherine
(Wed Aug 26 2009 - 22:55:59 PDT)
Re: [AMBER] Re: question_on_MMPBSA
jackie
(Thu Aug 27 2009 - 08:41:28 PDT)
[AMBER] Inquiries about antechamber
Yikan Chen
(Wed Aug 26 2009 - 10:07:20 PDT)
Re: [AMBER] Inquiries about antechamber
Nicholas Musolino
(Wed Aug 26 2009 - 14:02:21 PDT)
Re: [AMBER] Inquiries about antechamber
Yikan Chen
(Wed Aug 26 2009 - 19:05:40 PDT)
Re: [AMBER] Inquiries about antechamber
FyD
(Wed Aug 26 2009 - 23:15:55 PDT)
Re: [AMBER] Inquiries about antechamber
jackie
(Thu Aug 27 2009 - 08:48:24 PDT)
[AMBER] SCC-DFTB MD for mercury ions in proteins
Vaida Arcišauskaitė
(Thu Aug 27 2009 - 09:41:17 PDT)
Re: [AMBER] SCC-DFTB MD for mercury ions in proteins
Adrian Roitberg
(Thu Aug 27 2009 - 09:51:21 PDT)
[AMBER] Setting a constrain in one direction
Darren Yang
(Thu Aug 27 2009 - 20:15:30 PDT)
Re: [AMBER] Setting a constrain in one direction
Nicholas Musolino
(Thu Aug 27 2009 - 20:40:54 PDT)
RE: [AMBER] Setting a constrain in one direction
matthew_seetin.urmc.rochester.edu
(Fri Aug 28 2009 - 07:35:57 PDT)
[AMBER] nmr restraint for angle between vectors
Peter Varnai
(Fri Aug 28 2009 - 18:10:20 PDT)
[AMBER] Regarding principal component analysis using ptraj
Arvind Marathe
(Thu Aug 27 2009 - 23:54:40 PDT)
Re: [AMBER] Regarding principal component analysis using ptraj
Hannes Loeffler
(Fri Aug 28 2009 - 00:28:29 PDT)
Re: [AMBER] Regarding principal component analysis using ptraj
Arvind Marathe
(Fri Aug 28 2009 - 04:04:22 PDT)
Re: [AMBER] Regarding principal component analysis using ptraj
Hannes Loeffler
(Fri Aug 28 2009 - 04:45:05 PDT)
Re: [AMBER] Regarding principal component analysis using ptraj
Arvind Marathe
(Fri Aug 28 2009 - 04:56:53 PDT)
[AMBER] (no subject)
workalemahu berhanu
(Fri Aug 28 2009 - 07:06:56 PDT)
Re: [AMBER] (no subject)
workalemahu berhanu
(Fri Aug 28 2009 - 09:22:31 PDT)
[AMBER] about file format
Jia Xu
(Sat Aug 29 2009 - 00:55:49 PDT)
Re: [AMBER] about file format
Tom Joseph
(Sat Aug 29 2009 - 07:50:37 PDT)
Re: [AMBER] about file format
Jia Xu
(Sat Aug 29 2009 - 22:32:30 PDT)
[AMBER] radius for Manganese ion
Chunliyan
(Sat Aug 29 2009 - 07:43:00 PDT)
Re: [AMBER] radius for Manganese ion
E.M.
(Sun Aug 30 2009 - 16:38:38 PDT)
[AMBER] Dyndom
Chunliyan
(Sat Aug 29 2009 - 07:43:00 PDT)
Re: [AMBER] Dyndom
Carlos Simmerling
(Sat Aug 29 2009 - 07:59:23 PDT)
RE: [AMBER] Dyndom
Loeffler, Hannes (STFC,DL,CSE)
(Sat Aug 29 2009 - 08:18:18 PDT)
[AMBER] (no subject)
workalemahu berhanu
(Sat Aug 29 2009 - 08:29:34 PDT)
Re: [AMBER] (no subject)
workalemahu berhanu
(Sun Aug 30 2009 - 22:19:27 PDT)
[AMBER] problem with 4-Hydroxyl-Proline tutorial
Jia Xu
(Sun Aug 30 2009 - 00:46:18 PDT)
Re: [AMBER] problem with 4-Hydroxyl-Proline tutorial
FyD
(Mon Aug 31 2009 - 13:10:52 PDT)
[AMBER] Changing pH of the system
nicholus bhattacharjee
(Sun Aug 30 2009 - 04:13:17 PDT)
Re: [AMBER] Changing pH of the system
Adrian Roitberg
(Sun Aug 30 2009 - 08:26:01 PDT)
Re: [AMBER] Changing pH of the system
nicholus bhattacharjee
(Sun Aug 30 2009 - 08:40:42 PDT)
Re: [AMBER] Changing pH of the system
Adrian Roitberg
(Sun Aug 30 2009 - 09:18:32 PDT)
[AMBER] WATERSHELL
Mannan
(Sun Aug 30 2009 - 22:02:51 PDT)
[AMBER] How to derive charges from the output
bharat lakhani
(Sun Aug 30 2009 - 22:33:21 PDT)
Re: [AMBER] How to derive charges from the output
Barbault Florent
(Mon Aug 31 2009 - 00:38:09 PDT)
Re: [AMBER] How to derive charges from the output
bharat lakhani
(Mon Aug 31 2009 - 06:43:15 PDT)
Re: [AMBER] How to derive charges from the output
FyD
(Mon Aug 31 2009 - 13:35:46 PDT)
[AMBER] Query regarding watershell command
Mannan
(Mon Aug 31 2009 - 03:38:08 PDT)
[AMBER] divcon question
Andrei Neamtu
(Mon Aug 31 2009 - 04:31:35 PDT)
Re: [AMBER] divcon question
case
(Mon Aug 31 2009 - 05:34:14 PDT)
Re: [AMBER] ATP/GTP parameters
case
(Mon Aug 31 2009 - 05:41:22 PDT)
Re: [AMBER] ATP/GTP parameters
FyD
(Mon Aug 31 2009 - 13:20:50 PDT)
Re: [AMBER] ATP/GTP parameters
E.M.
(Mon Aug 31 2009 - 13:50:09 PDT)
[AMBER] momentum in MD simulation
dhacademic
(Mon Aug 31 2009 - 07:37:42 PDT)
[AMBER] antechamber bug report
Matthew Walsh
(Mon Aug 31 2009 - 09:43:08 PDT)
Re: [AMBER] antechamber bug report
case
(Mon Aug 31 2009 - 10:36:33 PDT)
Last message date
:
Wed Sep 02 2009 - 23:06:57 PDT
Archived on
: Fri Apr 26 2024 - 05:53:56 PDT
460 messages
sort by
: [ thread ] [
author
] [
date
] [
subject
] [
attachment
]
Custom Search
