Amber Archive Sep 2003 By Thread
237 messages
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Starting
Mon Sep 01 2003 - 20:53:00 PDT,
Ending
Tue Sep 30 2003 - 21:53:01 PDT
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AMBER: processors
Herbert Georg
(Mon Sep 01 2003 - 12:30:04 PDT)
Re: AMBER: processors
Scott Brozell
(Thu Sep 04 2003 - 09:50:10 PDT)
title card? Re: AMBER: what can't I use ibelly?
nie beining
(Mon Sep 01 2003 - 19:39:06 PDT)
Re: title card? Re: AMBER: what can't I use ibelly?
David A. Case
(Mon Sep 01 2003 - 21:18:12 PDT)
AMBER: error message is the same after I added a title
nie beining
(Tue Sep 02 2003 - 08:20:11 PDT)
AMBER: MIPS R14000 and Machine-file
Antonio J.Díaz Quintana
(Tue Sep 02 2003 - 01:14:33 PDT)
AMBER: MIPS R14000 and Machine-file
Antonio J.Díaz Quintana
(Tue Sep 02 2003 - 04:49:37 PDT)
Re: AMBER: MIPS R14000 and Machine-file
Sanjeev B.S.
(Tue Sep 02 2003 - 05:48:33 PDT)
Re: AMBER: MIPS R14000 and Machine-file
David A. Case
(Tue Sep 02 2003 - 07:56:26 PDT)
AMBER: PMF ethane example: Can someone correct the INPUT? Thanks.
Christophe L M J Verlinde
(Tue Sep 02 2003 - 10:57:52 PDT)
Re: AMBER: PMF ethane example: Can someone correct the INPUT? Thanks.
David A. Case
(Wed Sep 03 2003 - 08:38:56 PDT)
AMBER: GLYCAM/AMBER Configurator
ayongye.sunchem.chem.uga.edu
(Tue Sep 02 2003 - 11:36:51 PDT)
AMBER: surften value in mm_gbsa/mm_pbsa calculations
Sergio E. Wong
(Tue Sep 02 2003 - 12:34:22 PDT)
Re: AMBER: surften value in mm_gbsa/mm_pbsa calculations
Holger Gohlke
(Tue Sep 02 2003 - 13:30:15 PDT)
AMBER: mm_pbsa - ?small bugs?
Chris Moth
(Wed Sep 24 2003 - 10:37:37 PDT)
AMBER: ?small bugs? - 2nd suggestion
Chris Moth
(Wed Sep 24 2003 - 13:23:41 PDT)
AMBER: atomic clash or structure size?
atobak.eden.rutgers.edu
(Tue Sep 02 2003 - 14:08:51 PDT)
Re: AMBER: atomic clash or structure size?
Qiang Lu
(Tue Sep 02 2003 - 14:20:32 PDT)
Re: AMBER: atomic clash or structure size?
David A. Case
(Wed Sep 03 2003 - 08:32:42 PDT)
AMBER: charge of IRON in HEME!!
Pradipta Bandyopadhyay
(Thu Sep 04 2003 - 17:28:11 PDT)
Re: AMBER: charge of IRON in HEME!!
Qiang Lu
(Thu Sep 04 2003 - 17:40:48 PDT)
RE: AMBER: charge of IRON in HEME!!
Ming Lei
(Fri Sep 05 2003 - 11:15:32 PDT)
AMBER: problems with periodic boundary conditions
Monika Fuxreiter
(Fri Sep 05 2003 - 02:17:40 PDT)
Re: AMBER: problems with periodic boundary conditions
Michael Crowley
(Fri Sep 05 2003 - 07:32:29 PDT)
Re: AMBER: problems with periodic boundary conditions
David A. Case
(Fri Sep 05 2003 - 07:43:29 PDT)
AMBER: DNA helix is not in z-direction
A. Hungie
(Fri Sep 05 2003 - 02:35:50 PDT)
AMBER: IG value
SEKIJIMA Masakazu
(Fri Sep 05 2003 - 04:50:05 PDT)
Re: AMBER: IG value
Carlos Simmerling
(Fri Sep 05 2003 - 04:57:07 PDT)
Re: AMBER: IG value
David A. Case
(Fri Sep 05 2003 - 07:46:58 PDT)
AMBER: Accuracy of PB solvation energy
Qing Zhang
(Fri Sep 05 2003 - 10:15:15 PDT)
Re: AMBER: Accuracy of PB solvation energy
Jiri Sponer
(Fri Sep 05 2003 - 10:46:04 PDT)
Re: AMBER: DNA helix is not in z-direction
David A. Case
(Fri Sep 05 2003 - 17:37:20 PDT)
AMBER: Using NWCHEM for esp?
David E. Konerding DSD Staff
(Fri Sep 05 2003 - 10:59:45 PDT)
Re: AMBER: Using NWCHEM for esp?
Peter Oelschlaeger
(Fri Sep 05 2003 - 21:03:29 PDT)
Re: AMBER: Using NWCHEM for esp?
FyD
(Sun Sep 07 2003 - 14:19:33 PDT)
AMBER: 'ho' vDW parameters
Lee, Matthew
(Fri Sep 05 2003 - 15:33:12 PDT)
Re: AMBER: 'ho' vDW parameters
Junmei Wang
(Mon Sep 08 2003 - 13:01:25 PDT)
Re: AMBER: 'ho' vDW parameters
Carlos Simmerling
(Mon Sep 08 2003 - 13:10:13 PDT)
RE: AMBER: 'ho' vDW parameters
Yong Duan
(Mon Sep 08 2003 - 13:27:48 PDT)
AMBER: Compiling 64-bit version on AIX
Pratul K. Agarwal
(Mon Sep 08 2003 - 19:00:55 PDT)
Re: AMBER: Compiling 64-bit version on AIX
Nicolas Grima
(Tue Sep 09 2003 - 00:11:03 PDT)
Re: AMBER: Compiling 64-bit version on AIX
Pratul K. Agarwal
(Tue Sep 09 2003 - 08:45:58 PDT)
Re: AMBER: Compiling 64-bit version on AIX
Carlos P. Sosa
(Tue Sep 09 2003 - 09:06:39 PDT)
Re: AMBER: Compiling 64-bit version on AIX
David A. Case
(Tue Sep 09 2003 - 09:36:12 PDT)
Re: AMBER: Compiling 64-bit version on AIX
Pratul K. Agarwal
(Tue Sep 09 2003 - 10:01:13 PDT)
AMBER: solvatebox-solvateshell
Majid moghaddam
(Sat Sep 06 2003 - 04:42:55 PDT)
Re: AMBER: solvatebox-solvateshell
David A. Case
(Sat Sep 06 2003 - 12:56:39 PDT)
Re: AMBER: solvatebox-solvateshell
Thomas E. Cheatham, III
(Sat Sep 06 2003 - 13:16:38 PDT)
Re: AMBER: solvatebox-solvateshell
Xavier Periole
(Mon Sep 08 2003 - 14:46:00 PDT)
AMBER: charge definition
Khanh KIm Dao
(Sat Sep 06 2003 - 11:40:31 PDT)
Re: AMBER: charge definition
Holger Gohlke
(Sat Sep 06 2003 - 12:00:01 PDT)
AMBER: update to answer about solvateShell
David A. Case
(Sat Sep 06 2003 - 13:00:50 PDT)
AMBER: dielectric constant for blends
Taner E. Dirama
(Mon Sep 08 2003 - 07:21:11 PDT)
Re: AMBER: dielectric constant for blends
David A. Case
(Mon Sep 08 2003 - 08:23:34 PDT)
AMBER: parm. and top. for sugars, charmm?
Endres, Robert G.
(Mon Sep 08 2003 - 09:05:00 PDT)
Re: AMBER: parm. and top. for sugars, charmm?
Itziar Maestre Asenjo
(Mon Sep 08 2003 - 22:57:27 PDT)
AMBER: radial distribution-function by Ptraj
Petrodler.aol.com
(Tue Sep 09 2003 - 02:15:10 PDT)
AMBER: reporting atoms clashed during simple energy minimization
jackie.ibms.sinica.edu.tw
(Tue Sep 09 2003 - 03:19:36 PDT)
Re: AMBER: reporting atoms clashed during simple energy minimization
Dr. Yong Duan
(Tue Sep 09 2003 - 05:18:44 PDT)
Re: AMBER: reporting atoms clashed during simple energy minimization
David A. Case
(Tue Sep 09 2003 - 08:36:29 PDT)
AMBER: SHAKE poblem with dummy atoms
Itziar Maestre Asenjo
(Tue Sep 09 2003 - 03:06:57 PDT)
Re: AMBER: SHAKE poblem with dummy atoms
David A. Case
(Tue Sep 09 2003 - 08:38:49 PDT)
AMBER: PMF calculations
Sébastien Canneaux
(Tue Sep 09 2003 - 05:29:36 PDT)
AMBER: TIP5P
Ulf Johansson
(Tue Sep 09 2003 - 06:27:27 PDT)
Re: AMBER: TIP5P
David A. Case
(Tue Sep 09 2003 - 08:32:58 PDT)
Re: AMBER: TIP5P
Ulf Johansson
(Wed Sep 10 2003 - 00:37:36 PDT)
Re: AMBER: TIP5P
David A. Case
(Wed Sep 10 2003 - 08:14:18 PDT)
AMBER: Re: torsional energy
David A. Case
(Wed Sep 10 2003 - 15:15:34 PDT)
AMBER: altering mass in .top file
hagop demirdjian
(Thu Sep 11 2003 - 02:07:02 PDT)
Re: AMBER: altering mass in .top file
Pascal Bonnet
(Thu Sep 11 2003 - 03:05:15 PDT)
AMBER: EWALD BOMB and solvent density problem
northrop.chem.ucla.edu
(Thu Sep 11 2003 - 11:28:51 PDT)
AMBER: ptraj question
Lishan Yao
(Thu Sep 11 2003 - 12:48:08 PDT)
AMBER: gaff parameters
astrid.maass
(Fri Sep 12 2003 - 02:10:32 PDT)
Re: AMBER: gaff parameters
Kazuo Koyano
(Fri Sep 12 2003 - 03:31:33 PDT)
Re: AMBER: gaff parameters
Junmei Wang
(Fri Sep 12 2003 - 14:46:24 PDT)
AMBER: DMSO box
Dalmaris, John
(Fri Sep 12 2003 - 02:25:21 PDT)
Re: AMBER: DMSO box
Jiten
(Fri Sep 12 2003 - 18:05:46 PDT)
AMBER: FF parameters for BOC - group
Balvinder Singh
(Fri Sep 12 2003 - 10:38:34 PDT)
Re: AMBER: FF parameters for BOC - group
Martin Lepsik
(Fri Sep 12 2003 - 07:57:24 PDT)
AMBER: minimization error
Venkata S Koppuravuri
(Fri Sep 12 2003 - 12:00:05 PDT)
Re: AMBER: minimization error
Scott Brozell
(Fri Sep 12 2003 - 12:24:37 PDT)
Re: AMBER: minimization error
David A. Case
(Fri Sep 12 2003 - 14:19:48 PDT)
AMBER: AMBER on LINUX ?? (fwd)
sangeeta.bioinfo.ernet.in
(Sun Sep 14 2003 - 23:57:20 PDT)
Re: AMBER: AMBER on LINUX ?? (fwd)
Sanjeev B.S.
(Mon Sep 15 2003 - 02:17:01 PDT)
Re: AMBER: AMBER on LINUX ?? (fwd)
David A. Case
(Mon Sep 15 2003 - 13:08:56 PDT)
AMBER: MD simulations on small molecules immersed in sparse water shell
Junmei Wang
(Tue Sep 16 2003 - 09:42:56 PDT)
Re: AMBER: MD simulations on small molecules immersed in sparse water shell
Alfonso Garcia Sosa
(Tue Sep 16 2003 - 10:08:24 PDT)
Re: AMBER: MD simulations on small molecules immersed in sparse water shell
rluo.uci.edu
(Tue Sep 16 2003 - 11:16:41 PDT)
Re: AMBER: MD simulations on small molecules immersed in sparse water shell
Carlos Simmerling
(Tue Sep 16 2003 - 11:23:53 PDT)
Re: AMBER: MD simulations on small molecules immersed in sparse water shell
rluo.uci.edu
(Tue Sep 16 2003 - 12:07:03 PDT)
Re: AMBER: MD simulations on small molecules immersed in sparse water shell
Carlos Simmerling
(Tue Sep 16 2003 - 12:21:18 PDT)
AMBER: AMBER error in CHALANGE
sd233.georgetown.edu
(Mon Sep 15 2003 - 08:58:31 PDT)
Re: AMBER: AMBER error in CHALANGE
Carlos Simmerling
(Mon Sep 15 2003 - 09:04:26 PDT)
Re: AMBER: AMBER error in CHALANGE
David A. Case
(Mon Sep 15 2003 - 13:06:21 PDT)
AMBER: sander on cygwin
Lee, Matthew
(Mon Sep 15 2003 - 11:14:40 PDT)
Re: AMBER: sander on cygwin
David E. Konerding DSD Staff
(Mon Sep 15 2003 - 11:24:29 PDT)
Re: AMBER: sander on cygwin
David A. Case
(Mon Sep 15 2003 - 13:03:23 PDT)
Re: AMBER: sander on cygwin
David E. Konerding DSD Staff
(Mon Sep 15 2003 - 14:21:57 PDT)
AMBER: PMEMD: dual XEON vs SGI cluster
Chris Moth
(Tue Sep 16 2003 - 14:46:45 PDT)
Re: AMBER: PMEMD: dual XEON vs SGI cluster
Robert Duke
(Mon Sep 15 2003 - 15:55:28 PDT)
Re: AMBER: PMEMD: dual XEON vs SGI cluster
Johannes Zuegg
(Mon Sep 15 2003 - 16:45:27 PDT)
RE: AMBER: PMEMD: dual XEON vs SGI cluster
Chris Moth
(Mon Sep 15 2003 - 18:55:46 PDT)
AMBER: performance vs number of processors
GUILLERMINA L ESTIU
(Mon Sep 15 2003 - 11:58:37 PDT)
Re: AMBER: performance vs number of processors
zhaoxc.puccini.che.pitt.edu
(Mon Sep 15 2003 - 12:41:20 PDT)
AMBER: Compiling sander with single precision
rluo.uci.edu
(Tue Sep 16 2003 - 18:37:01 PDT)
Re: AMBER: Compiling sander with single precision
Scott Brozell
(Tue Sep 16 2003 - 18:59:25 PDT)
Re: AMBER: Compiling sander with single precision
Mengjuei Hsieh
(Wed Sep 17 2003 - 14:56:34 PDT)
Re: AMBER: performance vs number of processors
David A. Case
(Mon Sep 15 2003 - 12:53:32 PDT)
AMBER: leap/frcmod problem
Joseph Nachman
(Wed Sep 17 2003 - 13:08:37 PDT)
Re: AMBER: leap/frcmod problem
David A. Case
(Wed Sep 17 2003 - 13:57:18 PDT)
AMBER: Benchmark of AMBER on Apple G5 machine
Mengjuei Hsieh
(Mon Sep 15 2003 - 13:56:43 PDT)
AMBER: MD problem!
Pradipta Bandyopadhyay
(Tue Sep 16 2003 - 17:33:17 PDT)
Re: AMBER: MD problem!
darden
(Wed Sep 17 2003 - 08:29:50 PDT)
AMBER: mfef90 - installation problem
Joseph Maxwell
(Wed Sep 17 2003 - 09:34:18 PDT)
Re: AMBER: mfef90 - installation problem
Michael Crowley
(Wed Sep 17 2003 - 10:28:19 PDT)
Re: AMBER: mfef90 - installation problem
Joseph Maxwell
(Wed Sep 17 2003 - 11:11:58 PDT)
AMBER: Scyld cluster amber 7 compile problems
Bengt Svensson
(Wed Sep 17 2003 - 18:11:04 PDT)
Re: AMBER: Scyld cluster amber 7 compile problems
Scott Brozell
(Thu Sep 18 2003 - 10:50:08 PDT)
AMBER: Amber 7 - bugfix 42 problem.
Bengt Svensson
(Wed Sep 17 2003 - 18:21:08 PDT)
Re: AMBER: Amber 7 - bugfix 42 problem.
David A. Case
(Fri Sep 19 2003 - 11:17:10 PDT)
AMBER: Suggestion regarding long simulation.
uddhavesh bhaskar sonavane
(Wed Sep 17 2003 - 23:50:37 PDT)
Re: AMBER: Suggestion regarding long simulation.
Johannes Zuegg
(Thu Sep 18 2003 - 15:56:39 PDT)
RE: AMBER: Suggestion regarding long simulation.
Yong Duan
(Thu Sep 18 2003 - 17:33:30 PDT)
Re: AMBER: Suggestion regarding long simulation.
Carlos Simmerling
(Thu Sep 18 2003 - 19:12:20 PDT)
Re: AMBER: Suggestion regarding long simulation.
Carlos Simmerling
(Fri Sep 19 2003 - 05:05:58 PDT)
AMBER: Calculating solvation energies for MM-PBSA use
Thomas Steinbrecher
(Thu Sep 18 2003 - 05:43:37 PDT)
Re: AMBER: Calculating solvation energies for MM-PBSA use
samantha hughes
(Thu Sep 18 2003 - 06:13:04 PDT)
AMBER: FEP problem
Itziar Maestre Asenjo
(Thu Sep 18 2003 - 05:35:37 PDT)
Re: AMBER: FEP problem
David A. Case
(Thu Sep 18 2003 - 08:08:18 PDT)
AMBER: re: MD problem!!
Pradipta Bandyopadhyay
(Thu Sep 18 2003 - 10:36:59 PDT)
RE: AMBER: re: MD problem!!
Yong Duan
(Thu Sep 18 2003 - 12:32:49 PDT)
AMBER: Generalized Born parameters
Peter VARNAI
(Thu Sep 18 2003 - 11:51:24 PDT)
AMBER: MD problem!!
Pradipta Bandyopadhyay
(Thu Sep 18 2003 - 13:35:36 PDT)
Re: AMBER: MD problem!!
yduan.udel.edu
(Thu Sep 18 2003 - 14:21:22 PDT)
AMBER: no defined type for atom N atom
Wu Yingliang
(Fri Sep 19 2003 - 05:57:12 PDT)
AMBER: no defined type for atom N atom
Wu Yingliang
(Fri Sep 19 2003 - 06:02:31 PDT)
Re: AMBER: no defined type for atom N atom
David A. Case
(Fri Sep 19 2003 - 10:01:29 PDT)
AMBER: xLEAP Problem
Stephen P. Molnar, Ph.D.
(Fri Sep 19 2003 - 13:07:14 PDT)
RE: AMBER: xLEAP Problem
Niko Jukarainen
(Fri Sep 19 2003 - 14:18:30 PDT)
Re: AMBER: xLEAP Problem
Kazuo Koyano
(Sun Sep 21 2003 - 19:18:49 PDT)
Re: AMBER: xLEAP Problem
Donald Thomas
(Sun Sep 21 2003 - 19:37:23 PDT)
AMBER: Re: xLEAP Problem
Stephen P. Molnar, Ph.D.
(Mon Sep 22 2003 - 09:36:48 PDT)
AMBER: 'high' temp. simulation!!
Pradipta Bandyopadhyay
(Fri Sep 19 2003 - 13:09:05 PDT)
AMBER: double bonds in prmtop
Herbert Georg
(Fri Sep 19 2003 - 13:09:16 PDT)
Re: AMBER: double bonds in prmtop
Ioana Cozmuta
(Fri Sep 19 2003 - 13:24:18 PDT)
Re: AMBER: double bonds in prmtop
Herbert Georg
(Fri Sep 19 2003 - 14:27:53 PDT)
Re: AMBER: double bonds in prmtop
David A. Case
(Fri Sep 19 2003 - 15:42:23 PDT)
AMBER: C-alpha RMS
Do Anh Tuan
(Fri Sep 19 2003 - 23:39:42 PDT)
Re: AMBER: C-alpha RMS
Kun Song
(Mon Sep 22 2003 - 06:45:20 PDT)
AMBER: AMBER Carnal files
Frederico.Miranda.ibmb.uib.no
(Sat Sep 20 2003 - 15:24:12 PDT)
RE: AMBER: AMBER Carnal files
Yong Duan
(Sat Sep 20 2003 - 15:44:44 PDT)
RE: AMBER: AMBER Carnal files
Frederico.Miranda.ibmb.uib.no
(Sun Sep 21 2003 - 17:09:01 PDT)
RE: AMBER: AMBER Carnal files
Yong Duan
(Sun Sep 21 2003 - 19:02:40 PDT)
AMBER: slow simulation
nie beining
(Sun Sep 21 2003 - 23:46:21 PDT)
Re: AMBER: slow simulation
David A. Case
(Mon Sep 22 2003 - 07:54:46 PDT)
AMBER: plane angle.
Pascal Bonnet
(Mon Sep 22 2003 - 08:14:44 PDT)
AMBER: slower simulation
nie beining
(Mon Sep 22 2003 - 08:43:24 PDT)
Re: AMBER: slower simulation
Carlos Simmerling
(Mon Sep 22 2003 - 08:59:02 PDT)
AMBER: Antechamber problem
Shafinaz
(Mon Sep 22 2003 - 09:33:58 PDT)
Re: AMBER: Antechamber problem
David A. Case
(Tue Sep 23 2003 - 08:19:54 PDT)
AMBER: Slower simulation and pair-range cutoff?
nie beining
(Mon Sep 22 2003 - 10:11:11 PDT)
Re: AMBER: plane angle.
Bill Ross
(Mon Sep 22 2003 - 11:42:40 PDT)
AMBER: increase size of NATOM or NRES for "ambpdb"
Wen Li
(Mon Sep 22 2003 - 12:14:36 PDT)
Re: AMBER: increase size of NATOM or NRES for "ambpdb"
David A. Case
(Mon Sep 22 2003 - 12:24:12 PDT)
AMBER: Carnal Input file
Frederico.Miranda.ibmb.uib.no
(Mon Sep 22 2003 - 16:06:55 PDT)
RE: AMBER: Carnal Input file
Ming Lei
(Mon Sep 22 2003 - 20:34:05 PDT)
Re: AMBER: Carnal Input file
Bill Ross
(Mon Sep 22 2003 - 16:23:27 PDT)
AMBER: How can I set ntx=7, but exclude the velocity?
Margaret S. Cheung
(Tue Sep 23 2003 - 08:30:28 PDT)
Re: AMBER: How can I set ntx=7, but exclude the velocity?
Carlos Simmerling
(Tue Sep 23 2003 - 08:35:28 PDT)
AMBER: pair-cutoff
nie beining
(Tue Sep 23 2003 - 08:40:32 PDT)
Re: AMBER: pair-cutoff
David A. Case
(Tue Sep 23 2003 - 08:59:01 PDT)
AMBER: GROUP
Atchara Wijitkosoom
(Tue Sep 23 2003 - 13:04:20 PDT)
AMBER: residues and molecules
GUILLERMINA L ESTIU
(Tue Sep 23 2003 - 14:56:01 PDT)
Re: AMBER: residues and molecules
David A. Case
(Wed Sep 24 2003 - 11:45:40 PDT)
Re: AMBER: residues and molecules
Robert Duke
(Wed Sep 24 2003 - 12:53:20 PDT)
AMBER: PMEMD 3.03 Update available
Robert Duke
(Tue Sep 23 2003 - 19:13:57 PDT)
AMBER: cd-c-os and c3-cd-c angle parameters
Vikas Varshney
(Wed Sep 24 2003 - 08:10:09 PDT)
Re: AMBER: cd-c-os and c3-cd-c angle parameters
Junmei Wang
(Wed Sep 24 2003 - 11:16:18 PDT)
AMBER: problem with file format
Shafinaz
(Wed Sep 24 2003 - 12:05:23 PDT)
Re: AMBER: problem with file format
David A. Case
(Wed Sep 24 2003 - 12:28:22 PDT)
RE: AMBER: problem with file format
Shafinaz
(Wed Sep 24 2003 - 13:29:10 PDT)
RE: AMBER: problem with file format
Junmei Wang
(Wed Sep 24 2003 - 13:34:14 PDT)
AMBER: NaCl ion pairs in TIP3P water box
Nathan A. Baker
(Wed Sep 24 2003 - 13:13:11 PDT)
Re: AMBER: NaCl ion pairs in TIP3P water box
David A. Case
(Wed Sep 24 2003 - 14:09:06 PDT)
Re: AMBER: NaCl ion pairs in TIP3P water box
Jiri Sponer
(Wed Sep 24 2003 - 14:41:27 PDT)
Re: AMBER: NaCl ion pairs in TIP3P water box
Bill Ross
(Wed Sep 24 2003 - 15:13:47 PDT)
Re: AMBER: NaCl ion pairs in TIP3P water box
Ioana Cozmuta
(Wed Sep 24 2003 - 15:30:26 PDT)
Re: AMBER: NaCl ion pairs in TIP3P water box
M. L. Dodson
(Wed Sep 24 2003 - 16:53:22 PDT)
Re: AMBER: NaCl ion pairs in TIP3P water box
Nathan A. Baker
(Wed Sep 24 2003 - 18:14:47 PDT)
Re: AMBER: NaCl ion pairs in TIP3P water box
Jiri Sponer
(Thu Sep 25 2003 - 04:59:51 PDT)
Re: AMBER: NaCl ion pairs in TIP3P water box
Pascal Auffinger
(Thu Sep 25 2003 - 06:30:08 PDT)
Re: AMBER: NaCl ion pairs in TIP3P water box
Bill Ross
(Wed Sep 24 2003 - 13:53:39 PDT)
AMBER: MM_PBSA(GBSA) Examples
Kazuo Koyano
(Thu Sep 25 2003 - 03:35:50 PDT)
AMBER: MM_PBSA(GBSA) Examples
Chris Moth
(Thu Sep 25 2003 - 08:56:23 PDT)
Re: AMBER: MM_PBSA(GBSA) Examples
Kazuo Koyano
(Fri Sep 26 2003 - 03:37:40 PDT)
AMBER: Online model of 2C9
Peter Gannett
(Thu Sep 25 2003 - 12:23:22 PDT)
AMBER: about the mopac7 installation.
Yong Wang
(Fri Sep 26 2003 - 00:07:16 PDT)
AMBER: MeCNBOX
northrop.chem.ucla.edu
(Thu Sep 25 2003 - 12:35:03 PDT)
Re: AMBER: MeCNBOX
David A. Case
(Thu Sep 25 2003 - 13:25:23 PDT)
Re: AMBER: MeCNBOX
northrop.chem.ucla.edu
(Thu Sep 25 2003 - 13:40:37 PDT)
Re: AMBER: MeCNBOX
northrop.chem.ucla.edu
(Thu Sep 25 2003 - 13:47:03 PDT)
Re: AMBER: MeCNBOX
James W. Caldwell
(Thu Sep 25 2003 - 14:04:03 PDT)
Re: AMBER: MeCNBOX
Pascal Bonnet
(Fri Sep 26 2003 - 01:38:03 PDT)
AMBER: Re:MeCNBOX
Pradipta Bandyopadhyay
(Thu Sep 25 2003 - 14:23:09 PDT)
AMBER: Zn in antechamber
Lishan Yao
(Fri Sep 26 2003 - 06:48:44 PDT)
Re: AMBER: Zn in antechamber
Junmei Wang
(Fri Sep 26 2003 - 07:47:45 PDT)
Re: AMBER: Zn in antechamber
Lishan Yao
(Fri Sep 26 2003 - 08:01:41 PDT)
Re: AMBER: Zn in antechamber
Junmei Wang
(Fri Sep 26 2003 - 10:00:11 PDT)
Re: AMBER: Zn in antechamber
Lishan Yao
(Fri Sep 26 2003 - 12:15:21 PDT)
Re: AMBER: Zn in antechamber
Junmei Wang
(Fri Sep 26 2003 - 13:24:46 PDT)
Re: AMBER: Zn in antechamber
Lishan Yao
(Mon Sep 29 2003 - 08:13:42 PDT)
Re: AMBER: Zn in antechamber
Junmei Wang
(Mon Sep 29 2003 - 08:32:52 PDT)
Re: AMBER: Zn in antechamber
Lishan Yao
(Mon Sep 29 2003 - 08:59:09 PDT)
Re: AMBER: Zn in antechamber
Junmei Wang
(Mon Sep 29 2003 - 09:38:09 PDT)
Re: AMBER: Zn in antechamber
Lishan Yao
(Mon Sep 29 2003 - 13:15:04 PDT)
Re: AMBER: Zn in antechamber
Rhonda Torres
(Fri Sep 26 2003 - 10:24:16 PDT)
AMBER: non-bonded cutoffs
Michael Dolan
(Fri Sep 26 2003 - 08:17:16 PDT)
Re: AMBER: non-bonded cutoffs
David A. Case
(Fri Sep 26 2003 - 08:32:09 PDT)
Re: AMBER: non-bonded cutoffs
Michael Dolan
(Fri Sep 26 2003 - 08:39:34 PDT)
AMBER: Phase for torsion angle different of 0 or 180 ?
Teletchéa Stéphane
(Fri Sep 26 2003 - 09:27:34 PDT)
Re: AMBER: Phase for torsion angle different of 0 or 180 ?
David A. Case
(Fri Sep 26 2003 - 13:41:35 PDT)
AMBER: polarizability and PME
Martin Mucha
(Sat Sep 27 2003 - 07:46:08 PDT)
Re: AMBER: polarizability and PME
David A. Case
(Sat Sep 27 2003 - 09:17:46 PDT)
AMBER: FW: Residual dipolar couplings
McAteer, Kathleen
(Fri Sep 26 2003 - 12:44:57 PDT)
Re: AMBER: FW: Residual dipolar couplings
David A. Case
(Fri Sep 26 2003 - 13:36:25 PDT)
AMBER: AMBER quasih question(s)
Rachel Ward
(Mon Sep 29 2003 - 12:39:17 PDT)
AMBER: nstlim
Amber Administration
(Mon Sep 29 2003 - 16:55:42 PDT)
Re: AMBER: nstlim
Robert Duke
(Mon Sep 29 2003 - 18:40:24 PDT)
AMBER: A problem about xleap
Jiang Pengju
(Mon Sep 29 2003 - 19:04:14 PDT)
Re: AMBER: A problem about xleap
John Bushnell
(Tue Sep 30 2003 - 10:13:06 PDT)
AMBER: density equilibrium & harmonic restrain
yuann
(Mon Sep 29 2003 - 19:59:50 PDT)
AMBER: iam a newbie !!!
Karthikeyan Pasupathy
(Mon Sep 29 2003 - 21:25:05 PDT)
Re: AMBER: iam a newbie !!!
Vlad Cojocaru
(Tue Sep 30 2003 - 02:12:43 PDT)
AMBER: following salt and waterbridges during a simulation
Karsten Suhre
(Mon Sep 29 2003 - 23:33:31 PDT)
AMBER: TTF parameters
northrop.chem.ucla.edu
(Mon Sep 29 2003 - 23:49:20 PDT)
Re: AMBER: improper
Bill Ross
(Tue Sep 30 2003 - 13:15:28 PDT)
AMBER: improper
Li Ying
(Tue Sep 30 2003 - 13:08:11 PDT)
Last message date
:
Tue Sep 30 2003 - 21:53:01 PDT
Archived on
: Wed Mar 10 2010 - 05:59:16 PST
237 messages
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