December 2008 Archives by thread

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Starting: Mon Dec 1 01:38:31 CET 2008
Ending: Wed Dec 31 21:29:41 CET 2008
Messages: 386

• [gmx-users] problems running grompp with protein-ligand complex   Ragnarok sdf
  • [gmx-users] problems running grompp with protein-ligand complex   Justin A. Lemkul
• [gmx-users] Re: About entropic contribution to the potential of mean force   Zhang Zhigang
• [gmx-users] problems running grompp with protein-ligand complex   Ragnarok sdf
• [gmx-users] Different potential function combination   Hongyan Xiao
  • [gmx-users] Different potential function combination   Mark Abraham
• [gmx-users] time of dynamic   shahrbanoo karbalaee
  • [gmx-users] time of dynamic   Mark Abraham
    • [gmx-users] time of dynamic   Omer Markovitch
• [gmx-users] RE:RE: How to calculate virial in gromacs-4.0? (xuji)   xuji
• [gmx-users] Amber port for GROMACS 4.0   Terry Nelson
• [gmx-users] gmx_bast subroutine error   Alexey Krukow
  • [gmx-users] gmx_bast subroutine error   David van der Spoel
• [gmx-users] gmx_bast subroutine error   alexey_krukow at gmx.de
• [gmx-users] Freezing Groups   Reza Salari
  • [gmx-users] Freezing Groups   Mark Abraham
    • [gmx-users] Freezing Groups   Reza Salari
• [gmx-users] Accessing the distance_restraints energy term   Chris Neale
  • [gmx-users] Accessing the distance_restraints energy term   Mark Abraham
• [gmx-users] About REMD specification in mdrun argument   Lee Soin
  • [gmx-users] About REMD specification in mdrun argument   Mark Abraham
  • [gmx-users] About REMD specification in mdrun argument   Yang Ye
    • [gmx-users] About REMD specification in mdrun argument   Lee Soin
• [gmx-users] Segmentation fault during Simulated annealing for different groups   vivek sharma
  • [gmx-users] Segmentation fault during Simulated annealing for different groups   vivek sharma
• [gmx-users] How to calculate the angle, dihedral and other contribution to virial   xuji
• [gmx-users] Cutoff Parameters   Soumik Banerjee
  • [gmx-users] Cutoff Parameters   Justin A. Lemkul
• [gmx-users] infelicity in installation of 4.0.2   Martyn Winn
  • [gmx-users] infelicity in installation of 4.0.2   Florian Haberl
    • [gmx-users] infelicity in installation of 4.0.2   Martyn Winn
• [gmx-users] REMD problem in concept   sarbani chattopadhyay
  • [gmx-users] REMD problem in concept   Mark Abraham
• [gmx-users] (no subject)   ha salem
• [gmx-users] cpu parallel   ha salem
  • [gmx-users] cpu parallel   Mark Abraham
• [gmx-users] Re: problems running grompp with protein-ligand complex   Ragnarok sdf
  • [gmx-users] Re: problems running grompp with protein-ligand complex   Florian Haberl
• [gmx-users] Hildebrand's solubility parameter   Claus Valka
  • [gmx-users] Hildebrand's solubility parameter   David van der Spoel
    • [gmx-users] Hildebrand's solubility parameter   Claus Valka
• [gmx-users] REMD problem in concept   sarbani chattopadhyay
  • [gmx-users] REMD problem in concept   Mark Abraham
• [Fwd: Re: [gmx-users] cpu parallel]   Mark Abraham
• [gmx-users] test molecule insertion   Simon Poblete
  • [gmx-users] test molecule insertion   Berk Hess
• [gmx-users] error   shahrbanoo karbalaee
  • [gmx-users] error   Justin A. Lemkul
• [gmx-users] REMD problem in concept   chris.neale at utoronto.ca
  • [gmx-users] REMD problem in concept   Mark Abraham
    • [gmx-users] REMD problem in concept   Berk Hess
• [gmx-users] Re: Re: problems running grompp with protein-ligand complex   Ragnarok sdf
  • [gmx-users] Re: Re: problems running grompp with protein-ligand complex   Justin A. Lemkul
• [gmx-users] Infinite force on an atom   Manik Mayur
  • [gmx-users] Infinite force on an atom   Justin A. Lemkul
• [gmx-users] nested #include "./file" for .itp's no longer inherits directory in gromacs 4   Chris Neale
• [gmx-users] work from pulling simulation   Daniel S. Han
• [gmx-users] work from pulling simulation   chris.neale at utoronto.ca
• [gmx-users] g_rmsd   shahrbanoo karbalaee
  • [gmx-users] g_rmsd   Tsjerk Wassenaar
• [gmx-users] How to calculate the local electric field?   Zhang Zhigang
  • [gmx-users] How to calculate the local electric field?   Mark Abraham
• [gmx-users] Re: problems running grompp with protein-ligand complex   Alan
• [gmx-users] error while compiling gromacs 4.0.2   Ragothaman Yennamalli
• [gmx-users] plz ignore my previous mail   Ragothaman Yennamalli
• [gmx-users] error while compiling gromacs 4.0.2   Ragothaman Yennamalli
  • [gmx-users] error while compiling gromacs 4.0.2   Mark Abraham
  • [gmx-users] error while compiling gromacs 4.0.2   Andrei Neamtu
• [gmx-users] quad cpu   ha salem
  • [gmx-users] quad cpu   David van der Spoel
    • [gmx-users] quad cpu   ha salem
      • [gmx-users] quad cpu   David van der Spoel
      • [gmx-users] quad cpu   ha salem
      • [gmx-users] quad cpu   Mark Abraham
• [gmx-users] Selecting force field for simulation in vacuum   Nuno Azoia
  • [gmx-users] Selecting force field for simulation in vacuum   Justin A. Lemkul
    • [gmx-users] Selecting force field for simulation in vacuum   Berk Hess
      • [gmx-users] Selecting force field for simulation in vacuum   Nuno Azoia
      • [gmx-users] Selecting force field for simulation in vacuum   Berk Hess
    • [gmx-users] Selecting force field for simulation in vacuum   David van der Spoel
• [gmx-users] Re: Re: How to calculate the local electric field?   Zhang Zhigang
  • [gmx-users] Re: Re: How to calculate the local electric field?   Mark Abraham
• [gmx-users] work from pulling simulation   Daniel S. Han
• [gmx-users] work from pulling simulation   chris.neale at utoronto.ca
• [gmx-users] Force field selection   Lucio Montero
  • [gmx-users] Force field selection   Justin A. Lemkul
• [gmx-users] g_bundle: How are these three terms defined? - (1) Tilt (2) Tiltr, and (3) Tiltl   Nilu Chakrabarti
  • [gmx-users] g_bundle: How are these three terms defined? - (1) Tilt (2) Tiltr, and (3) Tiltl   Berk Hess
• [gmx-users] time constants on distance restraints between three molecules   Arthur Roberts
  • [gmx-users] time constants on distance restraints between three molecules   Mark Abraham
• [gmx-users] help: how to set up a rigid system   刘鑫
• [gmx-users] how to set up a rigid system   Xin Liu
  • [gmx-users] how to set up a rigid system   Yang Ye
• [gmx-users] how to set up rigid system for acetylacetone   Xin Liu
• [gmx-users] crash on Source code file: nsgrid.c, line: 226   Egidijus Kuprusevicius
  • [gmx-users] crash on Source code file: nsgrid.c, line: 226   Justin A. Lemkul
• [gmx-users] Two questions about virial calculation   xuji
• [gmx-users] parallel run   ha salem
  • [gmx-users] parallel run   Mark Abraham
• [gmx-users] distance restraints and domain decomposition   map110+ at pitt.edu
  • [gmx-users] distance restraints and domain decomposition   Berk Hess
• [gmx-users] editconf -density 1000   Chih-Ying Lin
  • [gmx-users] editconf -density 1000   Justin A. Lemkul
• [gmx-users] the solute out of water box   Chih-Ying Lin
  • [gmx-users] the solute out of water box   Justin A. Lemkul
• [gmx-users] How to center one - solute in the water box?   Chih-Ying Lin
  • [gmx-users] How to center one - solute in the water box?   Justin A. Lemkul
• [gmx-users] Implicit Membrane Protein Simulation using GROMACS   sunita gupta
  • [gmx-users] Implicit Membrane Protein Simulation using GROMACS   Mark Abraham
• [gmx-users] please help me, im facing an serious problem with installation of gromacs   mahesh kumar
  • [gmx-users] please help me, im facing an serious problem with installation of gromacs   Mark Abraham
• [gmx-users] error in parallel mdrun   hazizian
  • [gmx-users] error in parallel mdrun   Jochen Hub
• [gmx-users] Wrong manual on web page   Jussi Lehtola
• [gmx-users] Dificulties compiling Gromacs 4.0.2 with MOPAC7 QM/MM   Laercio Pol Fachin
  • [gmx-users] Dificulties compiling Gromacs 4.0.2 with MOPAC7 QM/MM   Mark Abraham
• [gmx-users] structure factor   Alexandr Malafeev
• [gmx-users] Re: Accuracy of simulations   David van der Spoel
• [gmx-users] Is there a way to add protons to all the residues in a given system?   Arthur Roberts
  • [gmx-users] Is there a way to add protons to all the residues in a given system?   Justin A. Lemkul
• [gmx-users] how to set up a rigid system   Yang Ye
• [gmx-users] Modeling a nickel binding site   Xia,Wei
  • [gmx-users] Modeling a nickel binding site   Mark Abraham
• [gmx-users] Re: gmx-users Digest, Vol 56, Issue 25   ggroenh
  • [gmx-users] Re: gmx-users Digest, Vol 56, Issue 25   Mark Abraham
• [gmx-users] Dificulties compiling Gromacs 4.0.2 with MOPAC7 QM/MM   Laercio Pol Fachin
• [gmx-users] how to compute the solvent density distribution around solute and visulize it   Jinyao Wang
• [gmx-users] Relative Binding Free Energy Calculation   Robert Johnson
  • [gmx-users] Relative Binding Free Energy Calculation   David Mobley
• [gmx-users] Free energy of transfer with accuracy   Eudes Fileti
  • [gmx-users] Free energy of transfer with accuracy   David Mobley
• [gmx-users] Is there a way to add protons to all the residues in a pdb file that was run with the protons missing?   Arthur Roberts
  • [gmx-users] Is there a way to add protons to all the residues in a pdb file that was run with the protons missing?   Justin A. Lemkul
• [gmx-users] how to compute the solvent density distribution, around solute and visulize it   Chris Neale
• [gmx-users] COMM removal and thermostat   Manik Mayur
• [gmx-users] fatal error during running grompp   arie wibowo
  • [gmx-users] fatal error during running grompp   Mark Abraham
    • [gmx-users] fatal error during running grompp   Berk Hess
      • [gmx-users] fatal error during running grompp   arie wibowo
• [gmx-users] problem with center of mass removal, rest-group, all gmx versions   Michael Brunsteiner
  • [gmx-users] problem with center of mass removal, rest-group, all gmx versions   David van der Spoel
  • [gmx-users] problem with center of mass removal, rest-group, all gmx versions   Daniel Larsson
• [gmx-users] [Fwd: Loss of bonds in HEME iron after pdb2gmx]   saradas at ncbs.res.in
  • [gmx-users] [Fwd: Loss of bonds in HEME iron after pdb2gmx]   Arthur Roberts
• [gmx-users] mdrun parallel problem   hazizian
  • [gmx-users] mdrun parallel problem   Mark Abraham
• [gmx-users] One question in nb_generic.c file of Gromacs-4.0   xuji
  • [gmx-users] One question in nb_generic.c file of Gromacs-4.0   Berk Hess
• [gmx-users] structure facor   Alexandr Malafeev
• [gmx-users] DNA will not stay in the middle of the box   Benjamin Woiczikowski
  • [gmx-users] DNA will not stay in the middle of the box   Nicolas
• [gmx-users] spc_flex reference   Sang-Min Park
  • [gmx-users] spc_flex reference   Berk Hess
    • [gmx-users] spc_flex reference   Xavier Periole
      • [gmx-users] spc_flex reference   Berk Hess
• [gmx-users] Monte Carlo Integrated into Gromacs   Caleb Carlin
  • [gmx-users] Monte Carlo Integrated into Gromacs   David van der Spoel
• [gmx-users] periodic boundary issue   Paul Whitford
  • [gmx-users] periodic boundary issue   Berk Hess
• [gmx-users] jump peptide   shahrbanoo karbalaee
  • [gmx-users] jump peptide   Justin A. Lemkul
• [gmx-users] PBC only in xy direction   Andrea Muntean
  • [gmx-users] PBC only in xy direction   Berk Hess
    • [gmx-users] PBC only in xy direction   Andrea Muntean
    • [gmx-users] PBC only in xy direction   Andrei Neamtu
      • [gmx-users] PBC only in xy direction   moura at ufscar.br
      • [gmx-users] PBC only in xy direction   Berk Hess
• [gmx-users] with mdrun-4.0.2 and mpi output is multiplicated   Michael Brunsteiner
  • [gmx-users] with mdrun-4.0.2 and mpi output is multiplicated   Berk Hess
• [gmx-users] problem with center of mass removal, rest-group, all gmx versions   Michael Brunsteiner
• [gmx-users] PBC only in xy direction   Michael Brunsteiner
• [gmx-users] with mdrun-4.0.2 and mpi output is multiplicated   Michael Brunsteiner
• [gmx-users] Error: Atoms in the .top are not numbered consecutively   Henri K. Ervasti
• [gmx-users] Re: Dificulties compiling Gromacs 4.0.2 with MOPAC7 QM/MM, (Laercio Pol Fachin)   Gerrit Groenhof
• [gmx-users] Free energy of transfer with accuracy   Eudes Fileti
  • [gmx-users] Free energy of transfer with accuracy   David Mobley
• [gmx-users] Re: DNA will not stay in the middle of the box (Nicolas)   Benjamin Woiczikowski
  • [gmx-users] Re: DNA will not stay in the middle of the box (Nicolas)   Berk Hess
• [gmx-users] Error: Atoms in the .top are not numbered consecutively   chris.neale at utoronto.ca
• [gmx-users] Re: Dificulties compiling Gromacs 4.0.2 with MOPAC7 QM/MM   Laercio Pol Fachin
• [gmx-users] Free energy of transfer with accuracy   chris.neale at utoronto.ca
  • [gmx-users] Free energy of transfer with accuracy   David Mobley
• [gmx-users] Free energy of transfer with accuracy   Eudes Fileti
  • [gmx-users] Free energy of transfer with accuracy   David Mobley
• [gmx-users] Tau_t error   Manik Mayur
  • [gmx-users] Tau_t error   Mark Abraham
• [gmx-users] COMM and WCA   Manik Mayur
  • [gmx-users] COMM and WCA   Berk Hess
• [gmx-users] methane.itp   arie wibowo
  • [gmx-users] methane.itp   Justin A. Lemkul
• [gmx-users] CGMD timestep   BIN ZHANG
  • [gmx-users] are you crazy????   loveley action
• [gmx-users] topolbuild 1.2.1, gromacs topology builder for gromacs and amber force field topologies   Bruce D. Ray
• [gmx-users] Re: gmx-users Digest, Vol 56, Issue 32   Paul Whitford
• [gmx-users] periodic boundary issue   Paul Whitford
  • [gmx-users] periodic boundary issue   Berk Hess
• [gmx-users] Re: gmx-users Digest, Vol 56, Issue 39   Manik Mayur
  • [gmx-users] Re: gmx-users Digest, Vol 56, Issue 39   Mark Abraham
    • [gmx-users] Re: gmx-users Digest, Vol 56, Issue 39   Berk Hess
• [gmx-users] CALCULATING ENERGY OF PROTEIN ONLY   radhika jaswal
  • [gmx-users] CALCULATING ENERGY OF PROTEIN ONLY   Mark Abraham
• [gmx-users] pbc   shahrbanoo karbalaee
  • [gmx-users] pbc   Mark Abraham
  • [gmx-users] pbc   Justin A. Lemkul
• [gmx-users] Gromacs 4 bug?   Bernhard Knapp
  • [gmx-users] Gromacs 4 bug?   Mark Abraham
• [gmx-users] Re: Dificulties compiling Gromacs 4.0.2 with, MOPAC7 QM/MM   Gerrit Groenhof
• [gmx-users] Constraints without any meaningful potential   jgoetze at uni-potsdam.de
• Subject: Re: Re: [gmx-users] Gromacs 4 bug?   Bernhard Knapp
  • Subject: Re: Re: [gmx-users] Gromacs 4 bug?   Mark Abraham
  • Subject: Re: Re: [gmx-users] Gromacs 4 bug?   Antoine Fortuné
  • Subject: Re: Re: [gmx-users] Gromacs 4 bug?   Berk Hess
    • Subject: Re: Re: [gmx-users] Gromacs 4 bug?   patrick fuchs
      • Subject: Re: Re: [gmx-users] Gromacs 4 bug?   Berk Hess
      • Subject: Re: Re: [gmx-users] Gromacs 4 bug?   patrick fuchs
      • Subject: Re: Re: [gmx-users] Gromacs 4 bug?   Berk Hess
      • Subject: Re: Re: [gmx-users] Gromacs 4 bug?   patrick fuchs
• [gmx-users] error in gmx-4.0 with mpi   Vitaly Chaban
  • [gmx-users] error in gmx-4.0 with mpi   David van der Spoel
    • [gmx-users] error in gmx-4.0 with mpi   Mark Abraham
• [gmx-users] add hydrogen atom in pdb file   nafiseh farhadian
  • [gmx-users] add hydrogen atom in pdb file   Mark Abraham
• [gmx-users] Re: gmx-users Digest, Vol 56, Issue 44   Vitaly Chaban
  • [gmx-users] Re: gmx-users Digest, Vol 56, Issue 44   David van der Spoel
  • [gmx-users] Re[2]: gmx-users Digest, Vol 56, Issue 44   Vitaly Chaban
    • [gmx-users] Fwd: Re[2]: gmx-users Digest, Vol 56, Issue 44   Vitaly Chaban
      • [gmx-users] Fwd: Re[2]: gmx-users Digest, Vol 56, Issue 44   David van der Spoel
      • [gmx-users] Fwd: Re[2]: gmx-users Digest, Vol 56, Issue 44   Mark Abraham
• [gmx-users] Re: error in gmx-4.0 with mpi   Vitaly Chaban
  • [gmx-users] Re: error in gmx-4.0 with mpi   Mark Abraham
• [gmx-users] How to calculate the thermodynamic properties of the solution?   Chih-Ying Lin
  • [gmx-users] How to calculate the thermodynamic properties of the solution?   Mark Abraham
• [gmx-users] Re: gmx-users Digest, Vol 56, Issue 43   saradas at ncbs.res.in
• [gmx-users] Regarding an Error !   Venkat Reddy
  • [gmx-users] Regarding an Error !   Mark Abraham
• [gmx-users] mdrun mpi problem   hazizian
  • [gmx-users] mdrun mpi problem   Mark Abraham
• [gmx-users] pbc   shahrbanoo karbalaee
• [gmx-users] Re: Dificulties compiling Gromacs 4.0.2 with MOPAC7 QM/MM   Laercio Pol Fachin
• [gmx-users] Re: Dificulties compiling Gromacs 4.0.2 with MOPAC7 QM/MM, (Laercio Pol Fachin   Gerrit Groenhof
• [gmx-users] trjconv_d   Alessandro.Maiorana at roma2.infn.it
  • [gmx-users] trjconv_d   Justin A. Lemkul
    • [gmx-users] trjconv_d   Alessandro.Maiorana at roma2.infn.it
      • [gmx-users] trjconv_d   Justin A. Lemkul
• [gmx-users] trjconv_d   Justin A. Lemkul
• [gmx-users] Re: Tabulated G96 Angle potential   Nicu
• [gmx-users] Editing the log in files [HN]   Hideya Nakamura
  • [gmx-users] Editing the log in files [HN]   Mark Abraham
    • [gmx-users] Editing the log in files [HN]   Hideya Nakamura
      • [gmx-users] Editing the log in files [HN]   Justin A. Lemkul
      • [gmx-users] Editing the log in files [HN]   Hideya Nakamura
      • [gmx-users] Editing the log in files [HN]   Justin A. Lemkul
  • [gmx-users] Editing the log in files [HN]   Justin A. Lemkul
• [gmx-users] Gromacs 4 bug?   Bernhard Knapp
  • [gmx-users] Gromacs 4 bug?   David van der Spoel
• [gmx-users] TPI statistical error   Simon Poblete
• [gmx-users] hydrogen bond analysis   rams rams
• [gmx-users] Editing the log in files [HN]   Justin A. Lemkul
• Fwd: [gmx-users] add hydrogen atom in pdb file   nafiseh farhadian
  • Fwd: [gmx-users] add hydrogen atom in pdb file   Justin A. Lemkul
• [gmx-users] Hai Sir !   Venkat Reddy
  • [gmx-users] Hai Sir !   Mark Abraham
• [gmx-users] WHAT TO DO WITH BAD CONTACTS?   radhika jaswal
  • [gmx-users] WHAT TO DO WITH BAD CONTACTS?   Mark Abraham
• [gmx-users] What water topology is worth using?   DimitryASuplatov
  • [gmx-users] What water topology is worth using?   Xavier Periole
    • [gmx-users] What water topology is worth using?   DimitryASuplatov
• [gmx-users] Gromacs 4 with mpi interface   Chitrita Dutta Roy
  • [gmx-users] Gromacs 4 with mpi interface   Justin A. Lemkul
    • [gmx-users] Gromacs 4 with mpi interface   Chitrita Dutta Roy
      • [gmx-users] Gromacs 4 with mpi interface   Justin A. Lemkul
  • [gmx-users] Gromacs 4 with mpi interface   Venkat Reddy
    • [gmx-users] Gromacs 4 with mpi interface   Mark Abraham
  • [gmx-users] Gromacs 4 with mpi interface   Jussi Lehtola
    • [gmx-users] Gromacs 4 with mpi interface   Manik Mayur
      • [gmx-users] Gromacs 4 with mpi interface   Jussi Lehtola
• [gmx-users] RE: What water topology is worth using?   Vitaly Chaban
• [gmx-users] RE: Gromacs 4 with mpi interface   Vitaly Chaban
• [gmx-users] Re[2]: What water topology is worth using?   Vitaly Chaban
  • [gmx-users] Re[2]: What water topology is worth using?   Berk Hess
• [gmx-users] Dear Sir !   Venkat Reddy
  • [gmx-users] Dear Sir !   Carsten Kutzner
• [gmx-users] About the -multi option in mdrun   Lee Soin
  • [gmx-users] About the -multi option in mdrun   David van der Spoel
• [gmx-users] TI with nonbond_params   aherz
• [gmx-users] Urea topology problem   Rebeca García Fandiño
  • [gmx-users] Urea topology problem   Justin A. Lemkul
    • [gmx-users] Urea topology problem   Rebeca García Fandiño
      • [gmx-users] Urea topology problem   Justin A. Lemkul
      • [gmx-users] Urea topology problem   David van der Spoel
      • [gmx-users] Urea topology problem   Rebeca García Fandiño
      • [gmx-users] Urea topology problem   David van der Spoel
• [gmx-users] chcl3.itp Invalid order for directive atom types   chris.neale at utoronto.ca
  • [gmx-users] PhD positions in Leeds-UK   Xavier Periole
• [gmx-users] Ion Polarizability (Shell Model)   Eric Shamay
  • [gmx-users] Ion Polarizability (Shell Model)   David van der Spoel
• [gmx-users] about g_wham   anirban polley
• [gmx-users] Problem with trjcat -demux   Justin A. Lemkul
  • [gmx-users] Problem with trjcat -demux   David van der Spoel
    • [gmx-users] Problem with trjcat -demux   Justin A. Lemkul
      • [gmx-users] Problem with trjcat -demux   Justin A. Lemkul
• [gmx-users] Announcing a new membrane analysis tool: GridMAT-MD   Justin A. Lemkul
• [gmx-users] steered MD   rams rams
• [gmx-users] dihedral potential   manel.canales at upc.edu
  • [gmx-users] dihedral potential   Mark Abraham
• [gmx-users] problem in analyzing   hazizian
  • [gmx-users] problem in analyzing   Justin A. Lemkul
• [gmx-users] dihedral potential   manel.canales at upc.edu
• [gmx-users] [Fwd: question about the torsional potential]   David van der Spoel
  • [gmx-users] [Fwd: question about the torsional potential]   David van der Spoel
    • [gmx-users] [Fwd: question about the torsional potential]   manel.canales at upc.edu
• [gmx-users] Bug in g_energy for calculating heat capacity?   Zhang Zhigang
  • [gmx-users] g_dipoles questions   Semen Esilevsky
  • [gmx-users] Bug in g_energy for calculating heat capacity?   David van der Spoel
• [gmx-users] Parallel run on a Quad Core   Chitrita Dutta Roy
  • [gmx-users] Parallel run on a Quad Core   Justin A. Lemkul
    • [gmx-users] Parallel run on a Quad Core   Chitrita Dutta Roy
  • [gmx-users] Parallel run on a Quad Core   Mark Abraham
  • [gmx-users] Parallel run on a Quad Core   Manik Mayur
    • [gmx-users] Parallel run on a Quad Core   Chitrita Dutta Roy
      • [gmx-users] Parallel run on a Quad Core   Justin A. Lemkul
      • [gmx-users] Parallel run on a Quad Core   Chitrita Dutta Roy
      • [gmx-users] Parallel run on a Quad Core   Chitrita Dutta Roy
      • [gmx-users] Parallel run on a Quad Core   Justin A. Lemkul
      • [gmx-users] Parallel run on a Quad Core   Chitrita Dutta Roy
      • [gmx-users] Parallel run on a Quad Core   Chitrita Dutta Roy
      • [gmx-users] Parallel run on a Quad Core   Mark Abraham
• [gmx-users] Large dV/dlambda value at lambda = 0   Robert Johnson
  • [gmx-users] Large dV/dlambda value at lambda = 0   David Mobley
• [gmx-users] Gromacs 4 Binaries for Mac   Hadas Leonov
  • [gmx-users] Gromacs 4 Binaries for Mac   Yang Ye
• [gmx-users] Saving trajectories of a particular group within the system   Junqiao Lee
  • [gmx-users] Saving trajectories of a particular group within the system   Tsjerk Wassenaar
• [gmx-users] Saving trajectories of a particular group within the system   van Bemmelen
  • [gmx-users] Saving trajectories of a particular group within the system   Tsjerk Wassenaar
• [gmx-users] About the -npme option of mdrun and domain decomposition   Nicolas
  • [gmx-users] About the -npme option of mdrun and domain decomposition   David van der Spoel
• [gmx-users] center of masses inappropriate   Rongliang Wu
  • [gmx-users] center of masses inappropriate   Mark Abraham
• [gmx-users] Stockmayer fluid, extended dipole without rotation   Manuel Valera
• [gmx-users] Re: CAN'T CALCULATE THE ENERGY OF SYSTEM ONLY   Mark Abraham
• [gmx-users] error range of surface tension   Hongyan Xiao
  • [gmx-users] error range of surface tension   Mark Abraham
• [gmx-users] Re: gmx-users Digest, Vol 56, Issue 74   Junqiao Lee
• [gmx-users] Re: Saving trajectories of a particular group within the system.   Junqiao Lee
  • [gmx-users] Re: Saving trajectories of a particular group within the system.   Mark Abraham
• [gmx-users] Re: Saving trajectories of a particular group within the system.   Junqiao Lee
  • [gmx-users] Re: Saving trajectories of a particular group within the system.   Justin A. Lemkul
• [gmx-users] g_dipoles questions   Semen Esilevsky
  • [gmx-users] g_dipoles questions   David van der Spoel
    • [gmx-users] g_dipoles questions   Semen Esilevsky
      • [gmx-users] g_dipoles questions   David van der Spoel
      • [gmx-users] g_dipoles gives wrong epsilon for SPC water   Semen Esilevsky
      • [gmx-users] g_dipoles gives wrong epsilon for SPC water   David van der Spoel
• [gmx-users] partial charge distribution   Manik Mayur
  • [gmx-users] partial charge distribution   Justin A. Lemkul
• [gmx-users] Fw: CAN'T CALCULATE THE ENERGY OF SYSTEM ONLY   radhika jaswal
  • [gmx-users] Fw: CAN'T CALCULATE THE ENERGY OF SYSTEM ONLY   David van der Spoel
• [gmx-users] solvent spatial distribution   Jinyao Wang
  • [gmx-users] solvent spatial distribution   Mark Abraham
• [gmx-users] genion and a few other problems   Manik Mayur
  • [gmx-users] Re: genion and a few other problems   Manik Mayur
    • [gmx-users] Re: genion and a few other problems   Justin A. Lemkul
      • [gmx-users] Re: genion and a few other problems   Manik Mayur
      • [gmx-users] Re: genion and a few other problems   Justin A. Lemkul
• [gmx-users] solvent spatial distribution   chris.neale at utoronto.ca
• [gmx-users] About 8 core CPUs platform   li ming
  • [gmx-users] About 8 core CPUs platform   David van der Spoel
    • [gmx-users] About 8 core CPUs platform   Jussi Lehtola
  • [gmx-users] About 8 core CPUs platform   Tiago Marques
• [gmx-users] 轉寄: Problems about calculating binding energy   b91602001 at ntu.edu.tw
• [gmx-users] binding free energy   有盼 缪
  • [gmx-users] binding free energy   David van der Spoel
• [gmx-users] Re: About 8 core CPUs platform   sobereva
• [gmx-users] Converting Output Files   VENKATESH HARIHARAN
  • [gmx-users] Converting Output Files   Mark Abraham
    • [gmx-users] Converting Output Files   David van der Spoel
• [gmx-users] Forces are large - How to track down the culprit   Shay Amram
  • [gmx-users] Forces are large - How to track down the culprit   Mark Abraham
    • [gmx-users] Forces are large - How to track down the culprit   Shay Amram
      • [gmx-users] Forces are large - How to track down the culprit   David van der Spoel
      • [gmx-users] Forces are large - How to track down the culprit   Shay Amram
• [gmx-users] can i put different pressure value on different box side??   wang kelvin
  • [gmx-users] can i put different pressure value on different box side??   Justin A. Lemkul
    • [gmx-users] can i put different pressure value on different box side??   wang kelvin
• [gmx-users] dear KUTZNER (flow control)   ha salem

Last message date: Wed Dec 31 21:29:41 CET 2008
Archived on: Thu Nov 14 12:05:49 CET 2013

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