Amber Archive Sep 2006: by date

Thursday, 31 August 2006
- Re: AMBER: Question about free energy with mm_pbsa Thomas Cheatham
- AMBER: Error: cannot run "$AMBERHOME/exe/divcon" of bcc() in charge.c Jiten
Friday, 1 September 2006
- Re: AMBER: Question about free energy with mm_pbsa William Wei
- Re: AMBER: Error: cannot run "$AMBERHOME/exe/divcon" of bcc() in charge.c David A. Case
- AMBER: force fields for proflavine molecule sethl.gatech.edu
- AMBER: output file not generated bala
Saturday, 2 September 2006
- AMBER: Gaussian, antechamber, RESP Ed Pate
- AMBER: Question about LEAP and twisting a dihedral angle Ilyas Yildirim
- Re: AMBER: Question about LEAP and twisting a dihedral angle David A. Case
- Re: AMBER: Question about LEAP and twisting a dihedral angle Ilyas Yildirim
Sunday, 3 September 2006
- Re: AMBER: Gaussian, antechamber, RESP Stefano Federico Massimiliano Pieraccini (Stefano.Pieraccini)
- Re: AMBER: Question about LEAP and twisting a dihedral angle David A. Case
- AMBER: Amber9: Free Energy Franck_Vendeix.ncsu.edu
- Re: AMBER: Amber9: Free Energy David A. Case
- Re: AMBER: Amber9: Free Energy Franck_Vendeix.ncsu.edu
Monday, 4 September 2006
- AMBER: ligand file Fenghui Fan
- Re: AMBER: ligand file David A. Case
- AMBER: cAMP ligand file Fenghui Fan
Tuesday, 5 September 2006
- AMBER: Implicit Water - Force field parameters Ramdas Pophale
- Re: AMBER: Implicit Water - Force field parameters Fenghui Fan
- AMBER: a ligand file Fenghui Fan
- Re: AMBER: Implicit Water - Force field parameters Ilyas Yildirim
- Re: AMBER: a ligand file David A. Case
- AMBER: help with antechamber - creating ligand sethl.gatech.edu
- Re: AMBER: help with antechamber - creating ligand Ilyas Yildirim
- Re: AMBER: help with antechamber - creating ligand David A. Case
- AMBER: Amber parallel version Franck_Vendeix.ncsu.edu
- Re: AMBER: Amber parallel version Jyh-Shyong Ho
Wednesday, 6 September 2006
- Re: AMBER: Question about LEAP and twisting a dihedral angle Ilyas Yildirim
- AMBER: PARAMETERISATION PROBLEM Claire Zerafa
- Re: AMBER: PARAMETERISATION PROBLEM David A. Case
- Re: AMBER: Implicit Water - Force field parameters David A. Case
- AMBER: Question about using PMEMD and GB H W
- Re: AMBER: Question about using PMEMD and GB David A. Case
- Re: AMBER: Question about using PMEMD and GB H W
- Re: AMBER: a ligand file Fenghui Fan
- Re: AMBER: a ligand file David A. Case
- AMBER: improper torsion angle problem Fabian Alejandro Rodriguez
- AMBER: trajout Weihua Li
Thursday, 7 September 2006
- AMBER: Ca2+ polarizability Martin LEPSIK
- Re: AMBER: trajout Carlos Simmerling
- AMBER: mdcrd file Jianhui
- Re: AMBER: mdcrd file Mark Williamson
- AMBER: Re: FF problem: RG residue minimizes to non-planar structure David A. Case
- Re: AMBER: Amber parallel version Franck_Vendeix.ncsu.edu
- AMBER: leap - how to recognize my structure sethl.gatech.edu
- Re: AMBER: leap - how to recognize my structure Carlos Simmerling
- RE: AMBER: mdcrd file Ross Walker
- Re: AMBER: mdcrd file Brent Krueger
- Re: AMBER: mdcrd file David A. Case
Friday, 8 September 2006
- AMBER: nmode memory allocation error AYTUG TUNCEL
- AMBER: hydronium ion parameters Myunggi Yi
- Re: AMBER: hydronium ion parameters Myunggi Yi
- Re: AMBER: hydronium ion parameters Jiten
- Re: AMBER: hydronium ion parameters Myunggi Yi
- Re: AMBER: mdcrd file Joseph Nachman
- Re: AMBER: hydronium ion parameters Ilyas Yildirim
- AMBER: Problem with ptraj Gobind Singh Bisht
- AMBER: LEAP - "could not find type: NH" sethl.gatech.edu
- Re: AMBER: LEAP - "could not find type: NH" Ilyas Yildirim
- Re: AMBER: mdcrd file Carlos Simmerling
- AMBER: seg fault during test.serial Lachele Foley (Lists)
- Re: AMBER: seg fault during test.serial David A. Case
- AMBER: a ligand file Fenghui Fan
- Re: AMBER: a ligand file David A. Case
- AMBER: pmf with respect to a surface Rahaman, Asif
- Re: AMBER: a ligand file Ilyas Yildirim
- Re: AMBER: a ligand file Fenghui Fan
- Re: AMBER: a ligand file Ilyas Yildirim
- Re: AMBER: Problem with ptraj Gobind Singh Bisht
- AMBER: post nmanal 杉森正道
Saturday, 9 September 2006
- AMBER: EGB term decomposition backy
- AMBER: EGB term decomposition backy
- AMBER: EGB term decomposition backy
- Re: AMBER: post nmanal David A. Case
- AMBER: protein-ligand interaction Fenghui Fan
- Re: AMBER: protein-ligand interaction Ilyas Yildirim
- AMBER: resp Fenghui Fan
- AMBER: resp Fenghui Fan
- Re: AMBER: nmode memory allocation error David A. Case
- Re: AMBER: pmf with respect to a surface David A. Case
Sunday, 10 September 2006
- Re: AMBER: resp FyD
- AMBER: Parmchk problems (parm99.dat) Prashanth Athri
- AMBER: (no subject) Prashanth Athri
- Re: AMBER: post nmanal 杉森正道
Monday, 11 September 2006
- AMBER: Oon Modeling the metalloprotein with GB model. wenfei Li
- Re: AMBER: nmode memory allocation error Cenk Andac
- AMBER: Error in Running Sander Jianhui Tian
- AMBER: set a trucated octahedron box in Leap Vlad Cojocaru
- AMBER: How to get the ligand. ac file Fenghui Fan
- Re: AMBER: seg fault during test.serial Lachele Foley (Lists)
- AMBER: cAMP ligand charge Fenghui Fan
- AMBER: Parallel compile: ld: cannot find -lfmpi Lachele Foley (Lists)
- Re: AMBER: cAMP ligand charge David A. Case
- Re: AMBER: seg fault during test.serial David A. Case
- Re: AMBER: set a trucated octahedron box in Leap David A. Case
- Re: AMBER: Error in Running Sander David A. Case
- AMBER: System in polarizable waters Martin LEPSIK
- Re: AMBER: Error in Running Sander Jianhui
- Re: AMBER: mdcrd file Joseph Nachman
- Re: AMBER: System in polarizable waters David A. Case
- Re: AMBER: Parallel compile: ld: cannot find -lfmpi David A. Case
- RE: AMBER: Parmchk problems (parm99.dat) Junmei Wang
- Re: AMBER: Parallel compile: ld: cannot find -lfmpi Lachele Foley (Lists)
- AMBER: angle between helices 张勇
Tuesday, 12 September 2006
- Re: AMBER: set a trucated octahedron box in Leap Vlad Cojocaru
- Re: AMBER: set a trucated octahedron box in Leap Ilyas Yildirim
- AMBER: Installing AMBER9 on cygwin (WinXP) HARADA Makoto
- Re: AMBER: Installing AMBER9 on cygwin (WinXP) Gobind Singh Bisht
- Re: AMBER: set a trucated octahedron box in Leap David A. Case
- Re: AMBER: Installing AMBER9 on cygwin (WinXP) David A. Case
- RE: AMBER: Parmchk problems (parm99.dat) Prashanth Athri
- RE: AMBER: Parmchk problems (parm99.dat) Prashanth Athri
- RE: AMBER: Parmchk problems (parm99.dat) Junmei Wang
- RE: AMBER: Parmchk problems (parm99.dat) Prashanth Athri
- RE: AMBER: Parmchk problems (parm99.dat) Junmei Wang
- AMBER: forrtl: severe (64): input conversion error, unit 9, file Ilyas Yildirim
- RE: AMBER: forrtl: severe (64): input conversion error, unit 9, file Ross Walker
- RE: AMBER: forrtl: severe (64): input conversion error, unit 9, file Ilyas Yildirim
- Re: AMBER: Problem with ptraj Thomas Cheatham
- AMBER: about ligand charge Fenghui Fan
Wednesday, 13 September 2006
- AMBER: how to feed dihedral angles of our choice to the linear sequence in amber8 priya priya
- AMBER: 'lastrst' error for amber8 Arvind Marathe
- AMBER: "NO CONVERGENCE IN SCF CALCULATION" in divcon in Amber9 package Zhihong Yu
- AW: AMBER: how to feed dihedral angles of our choice to the linear sequence in amber8 Hannes Barsch
- AMBER: On the temperature increasement in the restriction MD in the tutorial 2 section 5 Fenghui Fan
- AMBER: RDC refinement Young-Tae Lee
- Re: AMBER: 'lastrst' error for amber8 michael crowley
- Re: AMBER: 'lastrst' error for amber8 Robert Duke
- Re: AMBER: RDC refinement David A. Case
- Re: AMBER: On the temperature increasement in the restriction MD in the tutorial 2 section 5 Thomas Cheatham
- Re: AMBER: "NO CONVERGENCE IN SCF CALCULATION" in divcon in Amber9 package David A. Case
- AMBER: energy data for limited part of system Tanya Johannsen
- Re: AMBER: how to feed dihedral angles of our choice to the linear sequence in amber8 Ilyas Yildirim
- AMBER: residence time of water molecules venditti2.unisi.it
- AMBER: the time length of the restricted MD Fenghui Fan
- AMBER: Mixed solvent? Mingfeng Yang
- AMBER: Error in reading RDC data Lee, Young-Tae
- AMBER: MAXM in nmode William Wei
- AMBER: LENNARD_JONES_ACOEF & BCOEF prmtop changes Michael Mazanetz
- Re: AMBER: MAXM in nmode William Wei
- Re: AMBER: MAXM in nmode David A. Case
- AMBER: pqr from constant pH MD harianto
- Re: AMBER: Error in reading RDC data David A. Case
- Re: AMBER: "NO CONVERGENCE IN SCF CALCULATION" in divcon in Amber9 package Zhihong Yu
- Re: AMBER: "NO CONVERGENCE IN SCF CALCULATION" in divcon in Amber9 package David A. Case
- Re: AMBER: "NO CONVERGENCE IN SCF CALCULATION" in divcon in Amber9 package Zhihong Yu
Thursday, 14 September 2006
- Re: AMBER: LENNARD_JONES_ACOEF & BCOEF prmtop changes Michael Mazanetz
- Re: AMBER: residence time of water molecules Angelo
- Re: AMBER: 'lastrst' error for amber8 Arvind Marathe
- AMBER: MD on protein-ligand interaction Fenghui Fan
- AMBER: potential energy in the MD result Fenghui Fan
- Re: AMBER: 'lastrst' error for amber8 David A. Case
- AMBER: pmemd error bala
- AMBER: addions default settings. asli ertekin
- Re: AMBER: pmemd error Robert Duke
- Re: AMBER: pmemd error Robert Duke
- Re: AMBER: addions default settings. Bill Ross
- AMBER: acidifying a water box Eric Shamay
- AMBER: DPPC Bilayer size Akshay Patny
- Re: AMBER: MD on protein-ligand interaction Ilyas Yildirim
- Re: AMBER: acidifying a water box David A. Case
- AMBER: Denaturing MD Fenghui Fan
- Re: AMBER: acidifying a water box Thomas Cheatham
- AMBER: mm_pbsa snapshots for "three-trajectory" In Hee Park
- Re: AMBER: Denaturing MD Thomas Cheatham
- AMBER: on the rst file of the current ruuning Fenghui Fan
- AMBER: Temperature not rising enough during simulated annealing Adam Pelzer
- AMBER: cyclic AMP off and frcmod files? Daniel Lee
- Re: [UCE]AMBER: Temperature not rising enough during simulated annealing Thomas Cheatham
- AMBER: restraints and constant pressure Joshua
- Re: AMBER: restraints and constant pressure Thomas Cheatham
Friday, 15 September 2006
- Re: AMBER: acidifying a water box Eric Shamay
- Re: AMBER: restraints and constant pressure Joshua
- Re: AMBER: cyclic AMP off and frcmod files? Fenghui Fan
- Re: AMBER: restraints and constant pressure Myunggi Yi
- Re: AMBER: 'lastrst' error for amber8 Arvind Marathe
- AMBER: About Lennard-Jones Parameters Jianhui
- AMBER: distance between two atoms Fenghui Fan
- AMBER: Problems with a restrained minimization approach Abhilash
- AMBER: new article on Amber force fields Carlos Simmerling
- Re: AMBER: About Lennard-Jones Parameters David A. Case
- Re: AMBER: Problems with a restrained minimization approach David A. Case
- AMBER: have problems with restrained minimization Abhilash
Saturday, 16 September 2006
- Re: AMBER: 'lastrst' error for amber8 David A. Case
- Re: AMBER: restraints and constant pressure Thomas Cheatham
- AMBER: change mdcrd file to pdb file Fenghui Fan
- Re: AMBER: change mdcrd file to pdb file Ilyas Yildirim
- Re: AMBER: restraints and constant pressure Myunggi Yi
Sunday, 17 September 2006
- AMBER: lib-4324 : UNRECOVERABLE library error Vasu Chandrasekaran
- Re: AMBER: 'lastrst' error for amber8 Arvind Marathe
- Re: AMBER: lib-4324 : UNRECOVERABLE library error Robert Duke
- Re: AMBER: restraints and constant pressure Carlos Simmerling
- Re: AMBER: change mdcrd file to pdb file Jianhui
- Re: AMBER: restraints and constant pressure Myunggi Yi
- Re: AMBER: change mdcrd file to pdb file Fenghui Fan
- Re: AMBER: change mdcrd file to pdb file Fabian Alejandro Rodriguez
- Re: AMBER: lib-4324 : UNRECOVERABLE library error Vasu Chandrasekaran
- Re: AMBER: improper torsion angle problem David A. Case
- Re: AMBER: energy data for limited part of system David A. Case
- AMBER: potential energy Fenghui Fan
- Re: AMBER: cyclic AMP off and frcmod files? Daniel Lee
- Re: AMBER: 'lastrst' error for amber8 Arvind Marathe
Monday, 18 September 2006
- AMBER: parameters for Nickel and iron Rachel
- Re: AMBER: 'lastrst' error for amber8 David A. Case
- RE: AMBER: potential energy Ross Walker
- RE: AMBER: on the rst file of the current ruuning Ross Walker
- Re: AMBER: 'lastrst' error for amber8 Arvind Marathe
- Re: AMBER: 'lastrst' error for amber8 David A. Case
- Re: AMBER: 'lastrst' error for amber8 Arvind Marathe
- AMBER: Restart problem on PMEMD with position restraint. Chunhu Tan
- Re: AMBER: Restart problem on PMEMD with position restraint. Robert Duke
- RE: AMBER: Restart problem on PMEMD with position restraint. Ross Walker
- AMBER: Questions Joseph Fernandez
- Re: AMBER: Restart problem on PMEMD with position restraint. David A. Case
- AMBER: ptraj RMSD vs. RMSF Steve Seibold
- AMBER: Question about Streptavidin/Biotin Tutorial. Qingning Shu
- AMBER: A question about Dynamics. Qingning Shu
- Re: AMBER: A question about Dynamics. David A. Case
- AMBER: A question about Dynamics. Qingning Shu
- RE: AMBER: Restart problem on PMEMD with position restraint. Chunhu Tan
- Re: AMBER: A question about Dynamics. Chunhu Tan
- RE: AMBER: Restart problem on PMEMD with position restraint. Ross Walker
- RE: AMBER: Question about Streptavidin/Biotin Tutorial. Ross Walker
- Re: RE: AMBER: potential energy linfu
- Re: [UCE]Re: RE: AMBER: potential energy Thomas Cheatham
- Re: [UCE]Re: RE: AMBER: potential energy Fenghui Fan
- Re: AMBER: parameters for Nickel and iron Fenghui Fan
- AMBER: Can salt effect be determined in GB medel? Xioling Chuang
- RE: [UCE]Re: RE: AMBER: potential energy Ross Walker
- Re: AMBER: Can salt effect be determined in GB medel? linfu
- AMBER: implicit solovent model by adjusting the parameter EXTDIEL ? linfu
Tuesday, 19 September 2006
- AMBER: resolving a bad initial model wang.cbs.cnrs.fr
- Re: AMBER: resolving a bad initial model Andy Purkiss-Trew
- Re: AMBER: resolving a bad initial model Carlos Simmerling
- Re: AMBER: resolving a bad initial model Stefano Pieraccini
- Re: AMBER: parameters for Nickel and iron Rachel
- RE: AMBER: parameters for Nickel and iron Junmei Wang
- Re: RE: AMBER: potential energy Thomas Cheatham
- Re: AMBER: implicit solovent model by adjusting the parameter EXTDIEL ? David A. Case
- AMBER: ACML and MASS/MASSV for sander and pmemd Nicolas Lux Fawzi
- Re: AMBER: parameters for Nickel and iron Ken Merz
- Re: AMBER: ACML and MASS/MASSV for sander and pmemd Robert Duke
- AMBER: coordinate files Ed Pate
- RE: AMBER: ACML and MASS/MASSV for sander and pmemd Ross Walker
- Re: AMBER: ACML and MASS/MASSV for sander and pmemd Robert Duke
- AMBER: installation error for pmemd in Amber 9/Opteron Sergio Aragon
- RE: AMBER: installation error for pmemd in Amber 9/Opteron Ross Walker
- AMBER: zzfft issue resolved -thanks! Sergio Aragon
- AMBER: zzfft error for pmemd in Amber 9/Opteron Sergio Aragon
Wednesday, 20 September 2006
- AMBER: the sequence command in leap Shuting Wei
- AMBER: Steve Seibold
- AMBER: GPCR-membrane issue Akshay Patny
- AMBER: Problems using rst distance constraints in Amber 8 Whitney Allen
- Re: AMBER: Problems using rst distance constraints in Amber 8 David A. Case
- AMBER: Which POPC Bilayer to start? Akshay Patny
- Re: AMBER: coordinate files David A. Case
- RE: AMBER: Parmchk problems (parm99.dat) Piotr Cieplak
- Re: AMBER: Parmchk problems (parm99.dat) David A. Case
Thursday, 21 September 2006
- AMBER: mm-pbsa output Stefano Pieraccini
- AMBER: bad atom type: Li jitrayut jitonnom
- Re: AMBER: mm-pbsa output alfredoq.fcq.unc.edu.ar
- Re: AMBER: parameters for Nickel and iron Rachel
- Re: Re: AMBER: A question about Dynamics. Qingning Shu
- RE: Re: AMBER: A question about Dynamics. Ross Walker
- AMBER: proposed patch for ptraj/evec.c (Amber 9.0) Cameron Abrams
- AMBER: Temperature fluctuation BIG with ntt=3 Mingfeng Yang
- Re: AMBER: Temperature fluctuation BIG with ntt=3 Carlos Simmerling
- Re: AMBER: Temperature fluctuation BIG with ntt=3 David A. Case
- AMBER: Amber8: problem related to antechamber priya priya
- Re: AMBER: Temperature fluctuation BIG with ntt=3 Mingfeng Yang
Friday, 22 September 2006
- AMBER: RMSd vs RMSf Steve Seibold
- Re: AMBER: Amber8: problem related to antechamber David A. Case
- AMBER: TI-FEP : strange result for different clambda values Biswa Ranjan Meher
- Re: AMBER: TI-FEP : strange result for different clambda values Thomas Steinbrecher
- Re: AMBER: TI-FEP : strange result for different clambda values David Mobley
- AMBER: center of mass dihedral restraints Lauren O'Neil
- AMBER: build a polymer with sequence command Shuting Wei
- Re: AMBER: build a polymer with sequence command David A. Case
- Re: AMBER: build a polymer with sequence command Shuting Wei
- AMBER: leap can't assign CALA Myunggi Yi
- Re: RE: Re: AMBER: A question about Dynamics. Qingning Shu
- AMBER: pbsa segmentation faults Thomas Steinbrecher
- Re: AMBER: build a polymer with sequence command David A. Case
- Re: AMBER: leap can't assign CALA David A. Case
- Re: RE: Re: AMBER: A question about Dynamics. David A. Case
Saturday, 23 September 2006
- AMBER: Picking up water molecules around one molecule Atsutoshi Okabe
- Re: AMBER: leap can't assign CALA Myunggi Yi
- AMBER: one question on MD Fenghui Fan
- Re: AMBER: one question on MD Carlos Simmerling
Sunday, 24 September 2006
- AMBER: the RMSD of MD Fenghui Fan
- Re: AMBER: the RMSD of MD Adrian Roitberg
Saturday, 23 September 2006
- Re: AMBER: pbsa segmentation faults Ray Luo
Sunday, 24 September 2006
- AMBER: strange values of the energy of "1-4 EEL" , "EAMBER" and the RMS Zhihong Yu
Monday, 25 September 2006
- Re: AMBER: strange values of the energy of "1-4 EEL" , "EAMBER" and the RMS Carlos Simmerling
- Re: AMBER: center of mass dihedral restraints Carlos Simmerling
- AMBER: polarizable ff for ligand bala
- Re: AMBER: center of mass dihedral restraints Lauren O'Neil
- AMBER: question on Lennard-Jones fitting in FF94 and 96 David Mobley
- Re: AMBER: build a polymer with sequence command Shuting Wei
- Re: AMBER: center of mass dihedral restraints venditti2.unisi.it
- AMBER: mm_pbsa segmentation faults Thomas Steinbrecher
- Re: AMBER: strange values of the energy of "1-4 EEL" , "EAMBER" and the RMS JunJun Liu
- Re: AMBER: build a polymer with sequence command David A. Case
- Re: AMBER: mm_pbsa segmentation faults linfu
- Re: AMBER: mm_pbsa segmentation faults Ray Luo
- Re: AMBER: strange values of the energy of "1-4 EEL" , "EAMBER" andthe RMS Zhihong Yu
- AMBER: from ADP-small protein complex to GTP-protein complex Fenghui Fan
Tuesday, 26 September 2006
- AMBER: lifetime and maxocc Sergey Samsonov
- Re: AMBER: mm_pbsa segmentation faults Ray Luo
- AMBER: structure from MD Fenghui Fan
- Re: AMBER: structure from MD Carlos Simmerling
- Re: AMBER: mm_pbsa segmentation faults Thomas Steinbrecher
- AMBER: chemical shift restrains Emilia Sikorska
- RE: AMBER: Amber8: problem related to antechamber Junmei Wang
- RE: AMBER: parameters for Nickel and iron Junmei Wang
- Re: AMBER: mm_pbsa segmentation faults Mark Williamson
- AMBER: missing benchmark files Mark H. Schofield
- AMBER: job crashes Xiaowei (David) Li
- Re: AMBER: job crashes JunJun Liu
- AMBER: RE: Amber8: problem related to antechamber priya priya
- Re: AMBER: job crashes Xiaowei (David) Li
- Re: AMBER: bad atom type: Li David A. Case
- Re: AMBER: missing benchmark files David A. Case
Wednesday, 27 September 2006
- AMBER: RE: Amber8: problem related to antechamber priya priya
- AMBER: kclust Fabiana Caporuscio
- Re: AMBER: parameters for Nickel and iron Rachel
- AMBER: A script file for measuring the distance between 2 atoms during MD Fenghui Fan
- Re: AMBER: A script file for measuring the distance between 2 atoms during MD Fenghui Fan
- Re: AMBER: A script file for measuring the distance between 2 atoms during MD Carlos Simmerling
- Re: AMBER: A script file for measuring the distance between 2 atoms during MD Thomas Cheatham
- Re: AMBER: A script file for measuring the distance between 2 atoms during MD Carlos Simmerling
- Re: AMBER: A script file for measuring the distance between 2 atoms during MD Carlos Simmerling
- Re: AMBER: A script file for measuring the distance between 2 atoms during MD Fenghui Fan
- AMBER: Error in compiling Amber 8 parallel Jianhui Tian
- AMBER: Multiple Timestep MD David LeBard
- AMBER: WHATIF Check after MD Fenghui Fan
- Re: AMBER: WHATIF Check after MD FyD
Thursday, 28 September 2006
- AMBER: Questions/observations about Nudged Elastic Band (NEB) Pietro Amodeo
- AMBER: NAD parameters Uni-Halle
- Re: AMBER: NAD parameters cristian obiol
- RE: AMBER: NAD parameters Ross Walker
- RE: AMBER: Questions/observations about Nudged Elastic Band (NEB) Ross Walker
- RE: AMBER: Error in compiling Amber 8 parallel Ross Walker
- AMBER: parm*.dat Ivelin Georgiev
- AMBER: Problem about installing amber9 on Mac OS X gtg549i.mail.gatech.edu
- AMBER: running sander on several nodes Fenghui Fan
- Re: AMBER: running sander on several nodes Fenghui Fan
- RE: AMBER: running sander on several nodes Ross Walker
- RE: AMBER: Problem about installing amber9 on Mac OS X Ross Walker
- RE: AMBER: Problem about installing amber9 on Mac OS X gtg549i.mail.gatech.edu
- AMBER: Machine File for Intel Core 2 Duo E6400 Osmar Norberto de Souza
- RE: AMBER: Problem about installing amber9 on Mac OS X Ross Walker
- RE: AMBER: Machine File for Intel Core 2 Duo E6400 Ross Walker
- Re: AMBER: Machine File for Intel Core 2 Duo E6400 Osmar Norberto de Souza
- AMBER: Parameterization of ethidium - phenyl ring sethl.gatech.edu
- Re: AMBER: parm*.dat Jianhui
- AMBER: WHAT IF CHeck after MD Fenghui Fan
- Re: AMBER: WHAT IF CHeck after MD David Mobley
Friday, 29 September 2006
- RE: AMBER: Questions/observations about Nudged Elastic Band (NEB) Pietro Amodeo
- AMBER: problem to center solvateshell Bonnet, Pascal [PRDBE]
- AMBER: Problem using antechamber Gustavo Seabra
- AMBER: Electrostatic Energy Constant Ivelin Georgiev
- Re: AMBER: Electrostatic Energy Constant Thomas Cheatham
- RE: AMBER: Problem using antechamber Junmei Wang
- Re: AMBER: Problem using antechamber Gustavo Seabra
- Re: AMBER: Electrostatic Energy Constant Fenghui Fan
- Re: AMBER: Electrostatic Energy Constant Thomas Cheatham
- Re: AMBER: Electrostatic Energy Constant Carlos Simmerling
- RE: AMBER: Problem about installing amber9 on Mac OS X Shuting Wei

Last message date: Sun Oct 01 2006 - 06:07:20 PDT
Archived on: Mon Nov 18 2024 - 05:53:28 PST

Amber Archive Sep 2006 by date