October 2012 Archives by thread

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Starting: Mon Oct 1 02:27:10 CEST 2012
Ending: Wed Oct 31 23:10:31 CET 2012
Messages: 918

• [gmx-users] number of coordinates in coordinate file does not match topology -reg   Justin Lemkul
• [gmx-users] Re: g_wham   Justin Lemkul
• [gmx-users] Error with "grompp"   Elie M
  • [gmx-users] Error with "grompp"   Justin Lemkul
    • [gmx-users] Error with "grompp"   Elie M
    • [gmx-users] Error with "grompp"   Elie M
      • [gmx-users] Error with "grompp"   Emanuel Birru
      • [gmx-users] Error with "grompp"   Elie M
      • [gmx-users] Error with "grompp"   Justin Lemkul
      • [gmx-users] Error with "grompp"   Elie M
      • [gmx-users] Error with "grompp"   Justin Lemkul
      • [gmx-users] Error with "grompp"   Elie M
      • [gmx-users] Error with "grompp"   Justin Lemkul
      • [gmx-users] Error with "grompp"   Elie M
      • [gmx-users] Error with "grompp"   Justin Lemkul
      • [gmx-users] Error with "grompp"   Elie M
      • [gmx-users] Error with "grompp"   Justin Lemkul
      • [gmx-users] Error with "grompp"   Elie M
      • [gmx-users] Error with "grompp"   Justin Lemkul
      • [gmx-users] Error with "grompp"   Elie M
      • [gmx-users] Error with "grompp"   Justin Lemkul
      • [gmx-users] Error with "grompp"   Elie M
      • [gmx-users] Error with "grompp"   Justin Lemkul
      • [gmx-users] Error with "grompp"   Elie M
      • [gmx-users] Error with "grompp"   Justin Lemkul
      • [gmx-users] Error with "grompp"   Elie M
      • [gmx-users] Error with "grompp"   Justin Lemkul
• [gmx-users] Regarding Torsional energetics   Ravi Kumar Venkatraman
  • [gmx-users] Regarding Torsional energetics   Justin Lemkul
• [gmx-users] DNA orientation restraint   仝督读
• [gmx-users] DNA orientation restrain   仝督读
  • [gmx-users] DNA orientation restrain   Erik Marklund
    • [gmx-users] Re: DNA orientation restrain   Tong Dudu
      • [gmx-users] Re: DNA orientation restrain   Erik Marklund
  • [gmx-users] DNA orientation restrain   lloyd riggs
  • [gmx-users] DNA orientation restrain   lina
• [gmx-users] A snapshot at a particular time frame   Ravi Kumar Venkatraman
  • [gmx-users] A snapshot at a particular time frame   rama david
• [gmx-users] Binding Energy to Binding affinity (Kd)   Du Jiangfeng (BIOCH)
  • [gmx-users] Binding Energy to Binding affinity (Kd)   Justin Lemkul
• [gmx-users] Re: distance restraint   Erik Marklund
• [gmx-users] LINCS WARNING relative constraint deviation   Ali Alizadeh
  • [gmx-users] LINCS WARNING relative constraint deviation   Justin Lemkul
• [gmx-users] Value of atom C in vdwradii.dat _ Protein-membrane system   Shima Arasteh
  • [gmx-users] Value of atom C in vdwradii.dat _ Protein-membrane system   Justin Lemkul
• [gmx-users] protein peptide interaction -reg   venkatesh s
  • [gmx-users] protein peptide interaction -reg   Justin Lemkul
• [gmx-users] Re: gmx-users Digest, Vol 102, Issue 3   Ravi Kumar Venkatraman
• [gmx-users] question about new residue   reisingere at rostlab.informatik.tu-muenchen.de
  • [gmx-users] question about new residue   Justin Lemkul
    • [gmx-users] question about new residue   reisingere at rostlab.informatik.tu-muenchen.de
• [gmx-users] Force field for ions   rainy908 at yahoo.com
• [gmx-users] g_energy menu choices inconsistent?   Ladasky
  • [gmx-users] g_energy menu choices inconsistent?   Justin Lemkul
    • [gmx-users] g_energy menu choices inconsistent?   ms
    • [gmx-users] Re: g_energy menu choices inconsistent?   Ladasky
• [gmx-users] pdb2gmx with more than 9999 residues   Jernej Zidar
  • [gmx-users] pdb2gmx with more than 9999 residues   Peter C. Lai
• [gmx-users] Ion conduction through a protein-membrane system   Shima Arasteh
  • [gmx-users] Ion conduction through a protein-membrane system   Peter C. Lai
    • [gmx-users] Ion conduction through a protein-membrane system   Shima Arasteh
  • [gmx-users] Ion conduction through a protein-membrane system   Carsten Kutzner
    • [gmx-users] Ion conduction through a protein-membrane system   Shima Arasteh
• [gmx-users] RE: Re: Binding Energy to Binding affinity (Kd) (Justin Lemkul)   Du Jiangfeng (BIOCH)
  • [gmx-users] RE: Re: Binding Energy to Binding affinity (Kd) (Justin Lemkul)   Justin Lemkul
    • [gmx-users] RE: Re: Binding Energy to Binding affinity (Kd) (Justin Lemkul)   jiang
      • [gmx-users] RE: Re: Binding Energy to Binding affinity (Kd) (Justin Lemkul)   Justin Lemkul
• [gmx-users] Please help   Anik Sen
  • [gmx-users] Please help   Justin Lemkul
• [gmx-users] Re: Possible bug in the temperature calculation from rerun   Bastien Loubet
• [gmx-users] Density measurment   rama david
  • [gmx-users] Density measurment   Justin Lemkul
    • [gmx-users] Density measurment   rama david
      • [gmx-users] Density measurment   Justin Lemkul
• [gmx-users] RE: Gromacs 2 CHARMM   lloyd riggs
• [gmx-users] MPI simulation with CHARMM27 force field and CMAP dihedrals problem   Koivuniemi, Artturi
• [gmx-users] umbrella sampling (PMF) position discrepancy   Raphael Alhadeff
• [gmx-users] Regarding g_cluster process MPI enabled   R.Vidya Rajendran (10PHD013)
  • [gmx-users] Regarding g_cluster process MPI enabled   francesco oteri
• [gmx-users] what is theta in g_helixorient?   Albert
  • [gmx-users] what is theta in g_helixorient?   Justin Lemkul
    • [gmx-users] what is theta in g_helixorient?   Albert
      • [gmx-users] what is theta in g_helixorient?   Justin Lemkul
      • [gmx-users] what is theta in g_helixorient?   Albert
• [gmx-users] error in grompp   Shine A
  • [gmx-users] error in grompp   Justin Lemkul
• [gmx-users] energy comparison   Edward Deira
  • [gmx-users] energy comparison   Justin Lemkul
    • [gmx-users] energy comparison   Edward Deira
      • [gmx-users] energy comparison   Justin Lemkul
• [gmx-users] Invitation to connect on LinkedIn   Marco Miele via LinkedIn
• [gmx-users] Coordinate file for lipid bilayer   James Starlight
  • [gmx-users] Coordinate file for lipid bilayer   Justin Lemkul
    • [gmx-users] Coordinate file for lipid bilayer   James Starlight
      • [gmx-users] Coordinate file for lipid bilayer   Justin Lemkul
      • [gmx-users] Coordinate file for lipid bilayer   James Starlight
      • [gmx-users] Coordinate file for lipid bilayer   Justin Lemkul
      • [gmx-users] Coordinate file for lipid bilayer   James Starlight
      • [gmx-users] Coordinate file for lipid bilayer   Justin Lemkul
      • [gmx-users] Coordinate file for lipid bilayer   James Starlight
      • [gmx-users] Coordinate file for lipid bilayer   Justin Lemkul
      • [gmx-users] Coordinate file for lipid bilayer   James Starlight
      • [gmx-users] Coordinate file for lipid bilayer   Justin Lemkul
      • [gmx-users] Coordinate file for lipid bilayer   James Starlight
      • [gmx-users] Coordinate file for lipid bilayer   Justin Lemkul
      • [gmx-users] Coordinate file for lipid bilayer   James Starlight
      • [gmx-users] Coordinate file for lipid bilayer   Felipe Pineda, PhD
      • [gmx-users] Coordinate file for lipid bilayer   James Starlight
      • [gmx-users] Coordinate file for lipid bilayer   Thomas Piggot
      • [gmx-users] Coordinate file for lipid bilayer   Felipe Pineda, PhD
• [gmx-users] pull=constraint gives zero forces   alex.bjorling
  • [gmx-users] Re: pull=constraint gives zero forces   alex.bjorling
• [gmx-users] xmgrace graphs   ram bio
  • [gmx-users] xmgrace graphs   naga sundar
    • [gmx-users] xmgrace graphs   Justin Lemkul
      • [gmx-users] xmgrace graphs   ram bio
• [gmx-users] Re: gmx-users Digest, Vol 102, Issue 6   Jernej Zidar
• [gmx-users] block averaging in g_energy vs. g_analyze   Hanne Antila
• [gmx-users] tyrosyl radical force field   tarak karmakar
  • [gmx-users] tyrosyl radical force field   Justin Lemkul
    • [gmx-users] tyrosyl radical force field   tarak karmakar
      • [gmx-users] tyrosyl radical force field   Justin Lemkul
      • [gmx-users] tyrosyl radical force field   Tsjerk Wassenaar
      • [gmx-users] tyrosyl radical force field   tarak karmakar
• [gmx-users] Regarding append the run   naga sundar
  • [gmx-users] Regarding append the run   Justin Lemkul
    • [gmx-users] Regarding append the run   naga sundar
• [gmx-users] Re: The largest charge group contains 1000 atoms   Justin Lemkul
• [gmx-users] Temperature in simulation   Shima Arasteh
  • [gmx-users] Temperature in simulation   Peter C. Lai
    • [gmx-users] Temperature in simulation   Shima Arasteh
      • [gmx-users] Temperature in simulation   Justin Lemkul
      • [gmx-users] Temperature in simulation   Peter C. Lai
      • [gmx-users] Temperature in simulation   Shima Arasteh
  • [gmx-users] Temperature in simulation   Justin Lemkul
    • [gmx-users] Temperature in simulation   Shima Arasteh
      • [gmx-users] Temperature in simulation   Justin Lemkul
      • [gmx-users] Temperature in simulation   Shima Arasteh
      • [gmx-users] Temperature in simulation   Justin Lemkul
• [gmx-users] (no subject)   Ho, Tuan A.
  • [gmx-users] (no subject)   Justin Lemkul
• [gmx-users] Fatal error: Atomtype F not found   Nur Syafiqah Abdul Ghani
  • [gmx-users] Fatal error: Atomtype F not found   David van der Spoel
    • [gmx-users] Re: Fatal error: Atomtype F not found   shika
• [gmx-users] Fatal error: Atomtype F not found   Nur Syafiqah Abdul Ghani
  • [gmx-users] Fatal error: Atomtype F not found   Justin Lemkul
    • [gmx-users] Re: Fatal error: Atomtype F not found   shika
      • [gmx-users] Re: Fatal error: Atomtype F not found   Justin Lemkul
• [gmx-users] hexafluoroisopropanol   Nur Syafiqah Abdul Ghani
  • [gmx-users] hexafluoroisopropanol   Justin Lemkul
• [gmx-users] Problem with the installation of Gromacs 4-5.5   Deepak Ojha
  • [gmx-users] Problem with the installation of Gromacs 4-5.5   rama david
  • [gmx-users] Problem with the installation of Gromacs 4-5.5   Mark Abraham
• [gmx-users] Interaction study for peptide-receptor..   rama david
  • [gmx-users] Interaction study for peptide-receptor..   Justin Lemkul
    • [gmx-users] Interaction study for peptide-receptor..   rama david
      • [gmx-users] Interaction study for peptide-receptor..   francesco oteri
      • [gmx-users] Interaction study for peptide-receptor..   rama david
      • [gmx-users] Interaction study for peptide-receptor..   Justin Lemkul
      • [gmx-users] Interaction study for peptide-receptor..   francesco oteri
      • [gmx-users] Interaction study for peptide-receptor..   rama david
      • [gmx-users] Interaction study for peptide-receptor..   Justin Lemkul
      • [gmx-users] Interaction study for peptide-receptor..   Thomas Evangelidis
      • [gmx-users] Interaction study for peptide-receptor..   rama david
      • [gmx-users] Interaction study for peptide-receptor..   Justin Lemkul
      • [gmx-users] Interaction study for peptide-receptor..   Liu Shiyong
      • [gmx-users] Interaction study for peptide-receptor..   Justin Lemkul
      • [gmx-users] Interaction study for peptide-receptor..   Liu Shiyong
      • [gmx-users] Interaction study for peptide-receptor..   Justin Lemkul
      • [gmx-users] Interaction study for peptide-receptor..   rama david
• [gmx-users] can we generate .xtc file directly from mdrun?   Albert
  • [gmx-users] can we generate .xtc file directly from mdrun?   rama david
    • [gmx-users] can we generate .xtc file directly from mdrun?   Albert
      • AW: [gmx-users] can we generate .xtc file directly from mdrun?   Rausch, Felix
  • [gmx-users] can we generate .xtc file directly from mdrun?   Mark Abraham
• [gmx-users] Dssp core dumped   rama david
  • [gmx-users] Dssp core dumped   Tsjerk Wassenaar
• [gmx-users] Segmentation fault, mdrun_mpi   Ladasky
  • [gmx-users] Re: Segmentation fault, mdrun_mpi   Ladasky
    • [gmx-users] Re: Segmentation fault, mdrun_mpi   Justin Lemkul
      • [gmx-users] Re: Segmentation fault, mdrun_mpi   Ladasky
      • [gmx-users] Re: Segmentation fault, mdrun_mpi   Justin Lemkul
      • [gmx-users] Re: Segmentation fault, mdrun_mpi   Ladasky
      • [gmx-users] Re: Segmentation fault, mdrun_mpi   Justin Lemkul
      • [gmx-users] Re: Segmentation fault, mdrun_mpi   Ladasky
      • [gmx-users] Re: Segmentation fault, mdrun_mpi   Justin Lemkul
• [gmx-users] Pull code with pull_geometry = cylinder generates error: Distance of pull group 1 (4.030185 nm) is larger than 0.49 times the box size (3.012310)   Emma Eriksson
  • [gmx-users] Pull code with pull_geometry = cylinder generates error: Distance of pull group 1 (4.030185 nm) is larger than 0.49 times the box size (3.012310)   David van der Spoel
• [gmx-users] equilibrium for box of simulation   mohammad agha
  • [gmx-users] equilibrium for box of simulation   Mark Abraham
    • [gmx-users] equilibrium for box of simulation   mohammad agha
  • [gmx-users] equilibrium for box of simulation   Justin Lemkul
    • [gmx-users] equilibrium for box of simulation   mohammad agha
      • [gmx-users] equilibrium for box of simulation   Justin Lemkul
• [gmx-users] RE: Re: Binding Energy to Binding affinity (Kd)   Thomas Schlesier
• [gmx-users] Re: equilibrium for box of simulation   Justin Lemkul
  • [gmx-users] equilibrium for box of simulation   mohammad agha
    • [gmx-users] equilibrium for box of simulation   Justin Lemkul
      • [gmx-users] equilibrium for box of simulation   mohammad agha
      • [gmx-users] equilibrium for box of simulation   Mark Abraham
      • [gmx-users] equilibrium for box of simulation   mohammad agha
      • [gmx-users] equilibrium for box of simulation   Mark Abraham
      • [gmx-users] equilibrium for box of simulation   mohammad agha
• [gmx-users] Re: vmd-l: Re: compiling VMD with gcc 4.7   lloyd riggs
  • [gmx-users] Re: vmd-l: Re: compiling VMD with gcc 4.7   Mark Abraham
• [gmx-users] Regarding g_covar   R.Vidya Rajendran (10PHD013)
• [gmx-users] About Lipid Protein simualtion   vidhya sankar
  • [gmx-users] About Lipid Protein simualtion   Justin Lemkul
• [gmx-users] Error There is no domain decomposition for 6 nodes that is compatible   Sonia Aguilera
  • [gmx-users] Error There is no domain decomposition for 6 nodes that is compatible   Justin Lemkul
• [gmx-users] The No. of the CO2 melecules in top file can not be updated correctly.   Bao Kai
  • [gmx-users] The No. of the CO2 melecules in top file can not be updated correctly.   Justin Lemkul
• [gmx-users] regarding g_covar   R.Vidya Rajendran (10PHD013)
• [gmx-users] The No. of the CO2 melecules in top file can not be updated correctly   Bao Kai
  • [gmx-users] The No. of the CO2 melecules in top file can not be updated correctly   Justin Lemkul
• [gmx-users] PME error for energy minimization of TMD in lipid bilayer   Archana Sonawani
  • [gmx-users] PME error for energy minimization of TMD in lipid bilayer   Justin Lemkul
• [gmx-users] Error There is no domain decomposition for 6 nodes that is compatible   lloyd riggs
  • [gmx-users] Error There is no domain decomposition for 6 nodes that is compatible   Justin Lemkul
    • [gmx-users] Re: Error There is no domain decomposition for 6 nodes that is compatible   Sonia Aguilera
      • [gmx-users] Re: Error There is no domain decomposition for 6 nodes that is compatible   Justin Lemkul
      • [gmx-users] Re: Error There is no domain decomposition for 6 nodes that is compatible   lloyd riggs
      • [gmx-users] Re: Error There is no domain decomposition for 6 nodes that is compatible   Justin Lemkul
• [gmx-users] Interaction energy calculation..   rama david
  • [gmx-users] Interaction energy calculation..   Justin Lemkul
    • [gmx-users] Interaction energy calculation..   rama david
      • [gmx-users] Interaction energy calculation..   Justin Lemkul
      • [gmx-users] Interaction energy calculation..   rama david
• [gmx-users] regarding g_covar   ran friedman
• [gmx-users] Free energy calculation on a frozen fragment   Ignacio Fernández Galván
  • [gmx-users] cut-off g_hbond   Gavin Melaugh
    • [gmx-users] cut-off g_hbond   Justin Lemkul
      • [gmx-users] cut-off g_hbond   Gavin Melaugh
      • [gmx-users] cut-off g_hbond   Justin Lemkul
      • [gmx-users] cut-off g_hbond   Gavin Melaugh
      • [gmx-users] cut-off g_hbond   Justin Lemkul
      • [gmx-users] cut-off g_hbond   Gavin Melaugh
• [gmx-users] help   Marlon Hinner
  • [gmx-users] help   Justin Lemkul
• [gmx-users] Interaction energy..   rama david
  • [gmx-users] Interaction energy..   Justin Lemkul
    • [gmx-users] Interaction energy..   rama david
      • [gmx-users] Interaction energy..   Justin Lemkul
      • [gmx-users] Interaction energy..   rama david
      • [gmx-users] Interaction energy..   rama david
      • [gmx-users] Interaction energy..   Justin Lemkul
      • [gmx-users] Interaction energy..   rama david
      • [gmx-users] Interaction energy..   Justin Lemkul
      • [gmx-users] Interaction energy..   rama david
      • [gmx-users] Interaction energy..   Justin Lemkul
      • [gmx-users] Interaction energy..   rama david
      • [gmx-users] Interaction energy..   Justin Lemkul
      • [gmx-users] Interaction energy..   rama david
      • [gmx-users] Interaction energy..   Justin Lemkul
      • [gmx-users] Interaction energy..   rama david
      • [gmx-users] Interaction energy..   Justin Lemkul
• [gmx-users] vacuum simulation problem with pdb file   Paula Andrea Delgado Pinzon
  • [gmx-users] vacuum simulation problem with pdb file   Justin Lemkul
    • [gmx-users] Re: vacuum simulation problem with pdb file   pauladelgado
      • [gmx-users] Re: vacuum simulation problem with pdb file   Justin Lemkul
• [gmx-users] About Protein in Bilayer Simulation   vidhya sankar
  • [gmx-users] About Protein in Bilayer Simulation   Justin Lemkul
• [gmx-users] A question on REMD result analysis   이종화
• [gmx-users] residue-residue interaction energies   federico vaglio
  • [gmx-users] residue-residue interaction energies   Justin Lemkul
    • [gmx-users] residue-residue interaction energies   federico vaglio
      • [gmx-users] residue-residue interaction energies   Justin Lemkul
• [gmx-users] (no subject)   masoumeh nosrati
• [gmx-users] A question on REMD result analysis   Christopher Neale
• [gmx-users] Fwd:   Sheyore Omovie
• [gmx-users] About pritein Lipid Bilayer Simulation   vidhya sankar
  • [gmx-users] About pritein Lipid Bilayer Simulation   Justin Lemkul
• [gmx-users] NPT and NVT eqquilibruim - membrane simulation   Shima Arasteh
• [gmx-users] NPT and NVT eqquilibruim - membrane simulation   Christopher Neale
  • [gmx-users] NPT and NVT eqquilibruim - membrane simulation   Shima Arasteh
    • [gmx-users] NPT and NVT eqquilibruim - membrane simulation   Justin Lemkul
      • [gmx-users] NPT and NVT eqquilibruim - membrane simulation   Shima Arasteh
• [gmx-users] Model of water   Shima Arasteh
  • [gmx-users] Model of water   Shima Arasteh
    • [gmx-users] Model of water   Shima Arasteh
      • [gmx-users] Model of water   Peter C. Lai
      • [gmx-users] Model of water   Shima Arasteh
      • [gmx-users] Model of water   Shima Arasteh
      • [gmx-users] Model of water   Justin Lemkul
      • [gmx-users] Model of water   Shima Arasteh
• [gmx-users] how to center to molecule in pbc box?   Albert
  • [gmx-users] how to center to molecule in pbc box?   Justin Lemkul
  • [gmx-users] how to center to molecule in pbc box?   Carlos Javier Núñez
• [gmx-users] Model of water   Shima Arasteh
• Fwd: Re: [gmx-users] Model of water   Justin Lemkul
• [gmx-users] Model of water   Shima Arasteh
  • [gmx-users] Model of water   Justin Lemkul
  • [gmx-users] Model of water   Shima Arasteh
    • [gmx-users] Model of water   Justin Lemkul
      • [gmx-users] Model of water   Shima Arasteh
      • [gmx-users] Model of water   Justin Lemkul
• [gmx-users] domain decomposition trick for highly parallel non-equilibrium runs   Dr. Vitaly Chaban
  • [gmx-users] domain decomposition trick for highly parallel non-equilibrium runs   Bogdan Costescu
• [gmx-users] protein-membrane simulation- number of lipids   Shima Arasteh
  • [gmx-users] protein-membrane simulation- number of lipids   Justin Lemkul
• [gmx-users] difference between the tabulated and Cut-off Electicstatics potentials   Wu Chaofu
  • [gmx-users] Re: difference between the tabulated and Cut-off Electicstatics potentials   xiaowu759
• [gmx-users] About Usage of Constraints   vidhya sankar
  • [gmx-users] About Usage of Constraints   Justin Lemkul
• [gmx-users] How to can i replace a molecule   Ali Alizadeh
  • [gmx-users] Fwd: How to can i replace a molecule   Ali Alizadeh
    • [gmx-users] Fwd: How to can i replace a molecule   Justin Lemkul
      • [gmx-users] Re: Fwd: How to can i replace a molecule   shika
      • [gmx-users] Re: Fwd: How to can i replace a molecule   Justin Lemkul
      • [gmx-users] Re: Fwd: How to can i replace a molecule   shika
      • [gmx-users] Re: Fwd: How to can i replace a molecule   Justin Lemkul
• [gmx-users] Re: How to can i replace a molecule   Dr. Vitaly Chaban
• [gmx-users] Distribution of z-coordinates for a particular index group   Andrew DeYoung
  • [gmx-users] Distribution of z-coordinates for a particular index group   Justin Lemkul
• [gmx-users] error in grompp   Nur Syafiqah Abdul Ghani
  • [gmx-users] error in grompp   Justin Lemkul
• [gmx-users] Re: Pull code with pull_geometry = cylinder generates error: Distance of pull group 1 (4.030185 nm) is larger than 0.49 times the box size (3.012310)   Emma Eriksson
  • [gmx-users] Re: Pull code with pull_geometry = cylinder generates error: Distance of pull group 1 (4.030185 nm) is larger than 0.49 times the box size (3.012310)   David van der Spoel
• [gmx-users] Re: gmx-users Digest, Vol 102, Issue 45   Kathleen Kirchner
  • [gmx-users] Re: domain decomposition trick for highly parallel, non-equilibrium runs   Kathleen Kirchner
• [gmx-users] how to center the protein?   Albert
  • [gmx-users] how to center the protein?   rama david
• [gmx-users] Re: gmx-users Digest, Vol 102, Issue 52   Ali Alizadeh
  • [gmx-users] Re: gmx-users Digest, Vol 102, Issue 52   Justin Lemkul
• [gmx-users] Unable to fire-up the parallel processes on cluster   Venkat Reddy
  • [gmx-users] Unable to fire-up the parallel processes on cluster   Justin Lemkul
• [gmx-users] About Lincs Algorithim for Cyclic Peptide   vidhya sankar
  • [gmx-users] About Lincs Algorithim for Cyclic Peptide   David van der Spoel
  • [gmx-users] About Lincs Algorithim for Cyclic Peptide   Justin Lemkul
• [gmx-users] I want to add 460 molecules into a box   Ali Alizadeh
  • [gmx-users] I want to add 460 molecules into a box   Justin Lemkul
• [gmx-users] Gromacs-CPMD ....versions???   raghav singh
• [gmx-users] Re: domain decomposition trick for highly parallel, non-equilibrium runs   Christopher Neale
• [gmx-users] Re: pull=constraint gives zero forces   Christopher Neale
  • [gmx-users] Re: pull=constraint gives zero forces   Jaakko Uusitalo
    • [gmx-users] Re: pull=constraint gives zero forces   alex.bjorling
      • [gmx-users] Re: pull=constraint gives zero forces   alex.bjorling
      • [gmx-users] Re: pull=constraint gives zero forces   Erik Marklund
      • [gmx-users] Re: pull=constraint gives zero forces   alex.bjorling
• [gmx-users] (no subject)   yp sun
• [gmx-users] distance between protein and ligand   Archana Sonawani
  • [gmx-users] distance between protein and ligand   Justin Lemkul
  • [gmx-users] distance between protein and ligand   Liu Shiyong
    • [gmx-users] distance between protein and ligand   Archana Sonawani
• [gmx-users] generation of .itp file   Shine A
  • [gmx-users] generation of .itp file   Erik Marklund
• [gmx-users] Nucleotide terminal problems in GORMOS96 force field   史卜吉
  • [gmx-users] Nucleotide terminal problems in GORMOS96 force field   Justin Lemkul
• [gmx-users] Re: Re: Pull code with pull_geometry = cylinder generates error: Distance of pull group 1 (4.030185 nm) is larger than 0.49 times the box size (3.012310)   Emma Eriksson
• [gmx-users] Do I need to repeat my MD simulation ?   Liu Shiyong
  • [gmx-users] Do I need to repeat my MD simulation ?   Alexander Bujotzek
• [gmx-users] pull=constraint gives zero forces   Thomas Schlesier
• [gmx-users] RE: I want to add 460 molecules into a box   Dr. Vitaly Chaban
• [gmx-users] Martini lipid bilayer...   rama david
  • [gmx-users] Martini lipid bilayer...   XAvier Periole
• [gmx-users] average velocity   Dr. Vitaly Chaban
  • [gmx-users] average velocity   David van der Spoel
• [gmx-users] Polarisablity of water using Gromacs   Deepak Ojha
  • [gmx-users] Polarisablity of water using Gromacs   David van der Spoel
• [gmx-users] Re: Martini lipid bilayer   Dr. Vitaly Chaban
• [gmx-users] Re: Polarisablity of water using Gromacs   Dr. Vitaly Chaban
• [gmx-users] pull=constraint gives zero forces   Thomas Schlesier
• [gmx-users] EM & MD   Ali Alizadeh
  • [gmx-users] EM & MD   Justin Lemkul
• [gmx-users] Could not converge NPT constraints   juan-manuel.castillo at mv.uni-kl.de
  • [gmx-users] Could not converge NPT constraints   Justin Lemkul
    • [gmx-users] Could not converge NPT constraints   juan-manuel.castillo at mv.uni-kl.de
    • [gmx-users] Re: Could not converge NPT constraints   escajarro
• [gmx-users] single precision to double precision version   Ali Alizadeh
  • [gmx-users] single precision to double precision version   Justin Lemkul
    • [gmx-users] single precision to double precision version   Oliver Stueker
• [gmx-users] About Em and Equlibration With Lincs Algorithim   vidhya sankar
  • [gmx-users] About Em and Equlibration With Lincs Algorithim   Justin Lemkul
• [gmx-users] Re: Distance between Centre of Mass!   Justin Lemkul
• [gmx-users] RB parameters for the OPLSAA force field.   Elie M
• [gmx-users] TPI run   rikhiag
• [gmx-users] Secondary structure after InflateGRO step - protein in lipid membrane   Shima Arasteh
  • [gmx-users] Secondary structure after InflateGRO step - protein in lipid membrane   Justin Lemkul
• [gmx-users] rapid change in the angle of simulation cell - regd   ramesh cheerla
  • [gmx-users] rapid change in the angle of simulation cell - regd   Tsjerk Wassenaar
    • [gmx-users] rapid change in the angle of simulation cell - regd   ramesh cheerla
• [gmx-users] Martini FF for Sec structure changes...   rama david
  • [gmx-users] Martini FF for Sec structure changes...   XAvier Periole
    • [gmx-users] Martini FF for Sec structure changes...   rama david
      • [gmx-users] Martini FF for Sec structure changes...   XAvier Periole
      • [gmx-users] Martini FF for Sec structure changes...   rama david
      • [gmx-users] Martini FF for Sec structure changes...   francesco oteri
      • [gmx-users] Martini FF for Sec structure changes...   XAvier Periole
• [gmx-users] Secondary structure after InflateGRO step - protein in lipid membrane   Christopher Neale
  • [gmx-users] Secondary structure after InflateGRO step - protein in lipid membrane   Shima Arasteh
• [gmx-users] pull=constraint gives zero forces   Christopher Neale
• [gmx-users] genbox Not enough memory   Juliette N.
• [gmx-users] Secondary structure after InflateGRO step - protein in lipid membrane   Christopher Neale
  • [gmx-users] Secondary structure after InflateGRO step - protein in lipid membrane   Shima Arasteh
    • [gmx-users] Secondary structure after InflateGRO step - protein in lipid membrane   Shima Arasteh
      • [gmx-users] Secondary structure after InflateGRO step - protein in lipid membrane   Justin Lemkul
      • [gmx-users] Secondary structure after InflateGRO step - protein in lipid membrane   Shima Arasteh
      • [gmx-users] Secondary structure after InflateGRO step - protein in lipid membrane   Justin Lemkul
      • [gmx-users] Secondary structure after InflateGRO step - protein in lipid membrane   Shima Arasteh
• [gmx-users] genbox Not enough memory   Christopher Neale
  • [gmx-users] genbox Not enough memory   Juliette N.
• [gmx-users] genbox Not enough memory   Christopher Neale
• [gmx-users] Re: genbox Not enough memory   Dr. Vitaly Chaban
  • [gmx-users] Re: genbox Not enough memory   Juliette N.
    • [gmx-users] Re: genbox Not enough memory   Justin Lemkul
    • [gmx-users] Re: genbox Not enough memory   Dr. Vitaly Chaban
      • [gmx-users] Re: genbox Not enough memory   Dr. Vitaly Chaban
      • [gmx-users] Re: genbox Not enough memory   Juliette N.
      • [gmx-users] Re: genbox Not enough memory   Dr. Vitaly Chaban
  • [gmx-users] Re: genbox Not enough memory   Jochen Hub
    • [gmx-users] Re: genbox Not enough memory   Jochen Hub
• [gmx-users] (no subject)   Ananya Mondal
• [gmx-users] .n2t file for the CHARMM forcefield   Elie M
  • [gmx-users] .n2t file for the CHARMM forcefield   Justin Lemkul
    • [gmx-users] .n2t file for the CHARMM forcefield   Elie M
      • [gmx-users] .n2t file for the CHARMM forcefield   Justin Lemkul
      • [gmx-users] .n2t file for the CHARMM forcefield   Elie M
      • [gmx-users] .n2t file for the CHARMM forcefield   Justin Lemkul
• [gmx-users] Confusion in passing check point file   Venkat Reddy
  • [gmx-users] Confusion in passing check point file   Justin Lemkul
    • [gmx-users] Confusion in passing check point file   Venkat Reddy
      • [gmx-users] Confusion in passing check point file   Justin Lemkul
• [gmx-users] pull=constraint gives zero forces   Thomas Schlesier
• [gmx-users] Installing an Individual Tool (g_select)   Smitty
  • [gmx-users] Installing an Individual Tool (g_select)   Erik Marklund
• [gmx-users] Regarding Gromacs output files.   R.Vidya Rajendran (10PHD013)
  • [gmx-users] Regarding Gromacs output files.   Justin Lemkul
    • [gmx-users] Regarding Gromacs output files.   R.Vidya Rajendran (10PHD013)
      • [gmx-users] Regarding Gromacs output files.   Justin Lemkul
  • [gmx-users] Regarding Gromacs output files.   Erik Marklund
    • [gmx-users] When are .trr files essential? (was: Regarding Gromacs output files)   Ladasky
      • [gmx-users] When are .trr files essential? (was: Regarding Gromacs output files)   Jianguo Li
      • [gmx-users] When are .trr files essential?   Mark Abraham
• [gmx-users] error during minimization   Shine A
  • [gmx-users] error during minimization   Justin Lemkul
• [gmx-users] Re: About Error in Equlibration while using CYC pdb   Justin Lemkul
• [gmx-users] about salt concentration   Thomas Evangelidis
• [gmx-users] about salt concentration   Christopher Neale
  • [gmx-users] about salt concentration   Thomas Evangelidis
• [gmx-users] shell polarizable water model   Ananya Mondal
  • [gmx-users] Re: [gmx-developers] shell polarizable water model   Jochen Hub
• [gmx-users] about salt concentration   Christopher Neale
• [gmx-users] Re: about salt concentration   Dr. Vitaly Chaban
• [gmx-users] small tc-group   fciocco
  • [gmx-users] small tc-group   Peter C. Lai
    • [gmx-users] Re: small tc-group   fciocco
      • [gmx-users] Re: small tc-group   Peter C. Lai
      • [gmx-users] Re: small tc-group   fciocco
• [gmx-users] about salt concentration   ran friedman
  • [gmx-users] about salt concentration   Thomas Evangelidis
• [gmx-users] LINCS metal-ligand bonds   tarak karmakar
  • [gmx-users] LINCS metal-ligand bonds   Justin Lemkul
• [gmx-users] delta G of binding for protein-ligand complex   Archana Sonawani
  • [gmx-users] delta G of binding for protein-ligand complex   Justin Lemkul
• [gmx-users] GBSA with ligands   Leandro Bortot
  • [gmx-users] GBSA with ligands   Alan
    • [gmx-users] GBSA with ligands   Leandro Bortot
• [gmx-users] Lennard-Jones Parameters   cuong nguyen
  • [gmx-users] Lennard-Jones Parameters   Justin Lemkul
    • [gmx-users] Lennard-Jones Parameters   cuong nguyen
      • [gmx-users] Lennard-Jones Parameters   Peter C. Lai
      • [gmx-users] Lennard-Jones Parameters   cuong nguyen
      • [gmx-users] Lennard-Jones Parameters   Peter C. Lai
      • [gmx-users] Lennard-Jones Parameters   cuong nguyen
      • [gmx-users] Lennard-Jones Parameters   Justin Lemkul
      • [gmx-users] Lennard-Jones Parameters   Peter C. Lai
• [gmx-users] question about NVT run   reisingere at rostlab.informatik.tu-muenchen.de
  • [gmx-users] question about NVT run   Justin Lemkul
• [gmx-users] Re: question about NVT run   Dr. Vitaly Chaban
• [gmx-users] Re: LINCS metal-ligand bonds   Dr. Vitaly Chaban
  • [gmx-users] Re: LINCS metal-ligand bonds   Justin Lemkul
    • [gmx-users] Re: LINCS metal-ligand bonds   tarak karmakar
      • [gmx-users] Re: LINCS metal-ligand bonds   Justin Lemkul
• [gmx-users] Martini FF....   rama david
  • [gmx-users] Martini FF....   Justin Lemkul
• [gmx-users] small tc-group   Christopher Neale
• [gmx-users] Ignoring -of   Amir Abbasi
  • [gmx-users] Ignoring -of   Justin Lemkul
• [gmx-users] Nucleotide terminal problems in GORMOS96 force field   gatidaniel
  • [gmx-users] Nucleotide terminal problems in GORMOS96 force field   Justin Lemkul
    • [gmx-users] Re: Nucleotide terminal problems in GORMOS96 force field   gatidaniel
• [gmx-users] co-ordinate number mismatch   Ankita naithani
• [gmx-users] g_velacc   Nilesh Dhumal
• [gmx-users] co-ordinate number mismatch   Christopher Neale
• [gmx-users] REMD queries   rama david
• [gmx-users] Concerning a Fatal Error!   Arman Mahboubi Soufiani
  • [gmx-users] Concerning a Fatal Error!   Justin Lemkul
    • [gmx-users] Re: Concerning a Fatal Error!   Arman M. Soufiani
      • [gmx-users] Re: Concerning a Fatal Error!   Justin Lemkul
      • [gmx-users] Re: Concerning a Fatal Error!   Arman Mahboubi Soufiani
      • [gmx-users] Re: Concerning a Fatal Error!   Justin Lemkul
      • [gmx-users] Re: Concerning a Fatal Error!   Arman Mahboubi Soufiani
• [gmx-users] problem with pull code   Sanku M
  • [gmx-users] problem with pull code   Justin Lemkul
• [gmx-users] Running Gromacs on Rescale   Joris Poort
• [gmx-users] error: group protein not found in index file   Liu, Hanzhong
  • [gmx-users] error: group protein not found in index file   Justin Lemkul
    • [gmx-users] error: group protein not found in index file   Liu, Hanzhong
• [gmx-users] equilibrium   mohammad agha
  • [gmx-users] equilibrium   mohammad agha
    • [gmx-users] equilibrium   mohammad agha
      • [gmx-users] about equilibrium   mohammad agha
      • [gmx-users] about equilibrium   Justin Lemkul
      • [gmx-users] about equilibrium   mohammad agha
      • [gmx-users] about equilibrium   Justin Lemkul
      • [gmx-users] about equilibrium   mohammad agha
      • [gmx-users] about equilibrium   Justin Lemkul
      • [gmx-users] about equilibrium   mohammad agha
  • [gmx-users] kalp-dppc tutoril (Justin tutorials)   delara aghaie
    • [gmx-users] kalp-dppc tutoril (Justin tutorials)   Justin Lemkul
    • [gmx-users] kalp-dppc tutoril (Justin tutorials)   Shima Arasteh
• [gmx-users] GPU -simulation error -reg   venkatesh s
  • [gmx-users] GPU -simulation error -reg   Justin Lemkul
• [gmx-users] problem with pull code   Christopher Neale
• [gmx-users] amount of solvent   Nur Syafiqah Abdul Ghani
  • [gmx-users] amount of solvent   Justin Lemkul
    • [gmx-users] Re: amount of solvent   shika
      • [gmx-users] Re: amount of solvent   Justin Lemkul
• [gmx-users] Problem with equilibrated lipid bilayer structure   Jernej Zidar
  • [gmx-users] Problem with equilibrated lipid bilayer structure   Peter C. Lai
  • [gmx-users] Problem with equilibrated lipid bilayer structure   Sebastien Cote
• [gmx-users] VMD problem?   Albert
  • [gmx-users] VMD problem?   Peter C. Lai
    • [gmx-users] VMD problem?   Albert
• [gmx-users] Problem with equilibrated lipid bilayer structure   Jernej Zidar
  • [gmx-users] Problem with equilibrated lipid bilayer structure   Peter C. Lai
    • [gmx-users] Problem with equilibrated lipid bilayer structure   Thomas Piggot
• [gmx-users] Re: amount of solvent   Dr. Vitaly Chaban
• [gmx-users] losing data in trjconv?   Gil Claudio
  • [gmx-users] losing data in trjconv?   Peter C. Lai
    • [gmx-users] losing data in trjconv?   Gil Claudio
      • [gmx-users] losing data in trjconv?   Justin Lemkul
      • [gmx-users] losing data in trjconv?   Gil Claudio
      • [gmx-users] losing data in trjconv?   Lucio Ricardo Montero Valenzuela
      • [gmx-users] losing data in trjconv?   Gil Claudio
• [gmx-users] bonds braking   Eduardo Oliveira
  • [gmx-users] bonds braking   Justin Lemkul
• [gmx-users] bonds braking   Justin Lemkul
  • [gmx-users] bonds braking   Eduardo Oliveira
• [gmx-users] Force calculations were truncated at a distance of 1.2 nm   Ali Alizadeh
  • [gmx-users] Force calculations were truncated at a distance of 1.2 nm   Justin Lemkul
• [gmx-users] calculating the water mol   Rajiv Gandhi
  • [gmx-users] calculating the water mol   Justin Lemkul
• [gmx-users] The problem of converting CGenff parameters to those of Gromacs   spin
  • [gmx-users] The problem of converting CGenff parameters to those of Gromacs   Peter C. Lai
    • [gmx-users] The problem of converting CGenff parameters to those of Gromacs   David van der Spoel
    • [gmx-users] Re: The problem of converting CGenff parameters to those of Gromacs   spin
      • [gmx-users] Re: The problem of converting CGenff parameters to those of Gromacs   Peter C. Lai
      • [gmx-users] Re: The problem of converting CGenff parameters to those of Gromacs   spin
      • [gmx-users] Re: The problem of converting CGenff parameters to those of Gromacs   Justin Lemkul
      • [gmx-users] Re: The problem of converting CGenff parameters to those of Gromacs   spin
• [gmx-users] g_dipole   Nilesh Dhumal
• [gmx-users] Re: Diatomic in MeCN NPT (NH and PR) simulation segfaults after 1 us   benjfitz
  • [gmx-users] Re: Diatomic in MeCN NPT (NH and PR) simulation segfaults after 1 us   Justin Lemkul
• [gmx-users] no groups in indexfile!   Amir Abbasi
  • [gmx-users] no groups in indexfile!   Justin Lemkul
• [gmx-users] Re: gmx-users Digest, Vol 102, Issue 94   Ali Alizadeh
• [gmx-users] no groups in indexfile!   Justin Lemkul
• [gmx-users] how can I create gromos and top file for graphene   Yihua Zhou
  • [gmx-users] how can I create gromos and top file for graphene   Justin Lemkul
• [gmx-users] Problem with equilibrated lipid bilayer structure   Jernej Zidar
  • [gmx-users] Problem with equilibrated lipid bilayer structure   Thomas Piggot
• [gmx-users] Re: amount of solvent   Christopher Neale
• [gmx-users] Load imbalance logging, how to limit it?   Ladasky
  • [gmx-users] Load imbalance logging, how to limit it?   Justin Lemkul
• [gmx-users] Version 4.6   SebastianWaltz
• [gmx-users] constraint is serial and parallel runs   Dr. Vitaly Chaban
• [gmx-users] tpr file   ahmet yıldırım
  • [gmx-users] tpr file   Justin Lemkul
• [gmx-users] removal of water   Shine A
  • [gmx-users] removal of water   Justin Lemkul
• [gmx-users] g_density, number density   Ali Alizadeh
  • [gmx-users] g_density, number density   Justin Lemkul
• [gmx-users] OpenMM does not support -reg   venkatesh s
  • [gmx-users] OpenMM does not support -reg   Justin Lemkul
• [gmx-users] Tesla M2075 error...   Anthony Cruz Balberdi
  • [gmx-users] Tesla M2075 error...   Justin Lemkul
    • [gmx-users] Tesla M2075 error...   Anthony Cruz Balberdi
• [gmx-users] Creat a new residue.   spin
  • [gmx-users] Creat a new residue.   Justin Lemkul
    • [gmx-users] Re: Creat a new residue.   spin
• [gmx-users] why g_tune_pme generate .trr file?   Albert
  • [gmx-users] why g_tune_pme generate .trr file?   Justin Lemkul
• [gmx-users] Re: gmx-users Digest, Vol 102, Issue 99   Ali Alizadeh
  • [gmx-users] Re: gmx-users Digest, Vol 102, Issue 99   Justin Lemkul
• [gmx-users] (no subject)   Sheyore Omovie
• [gmx-users] Fwd:   Sheyore Omovie
• [gmx-users] continuation, gmx-users Digest, Vol 102, Issue 99   Ali Alizadeh
  • [gmx-users] continuation, gmx-users Digest, Vol 102, Issue 99   Justin Lemkul
• [gmx-users] Umbrella sampling after TMD of NAMD   Netaly Khazanov
  • [gmx-users] Umbrella sampling after TMD of NAMD   Arman Mahboubi Soufiani
    • [gmx-users] Umbrella sampling after TMD of NAMD   Netaly Khazanov
      • [gmx-users] Umbrella sampling after TMD of NAMD   Justin Lemkul
      • [gmx-users] Umbrella sampling after TMD of NAMD   Netaly Khazanov
      • [gmx-users] Umbrella sampling after TMD of NAMD   Justin Lemkul
  • [gmx-users] Umbrella sampling after TMD of NAMD   Jianguo Li
• [gmx-users] Using umbrella sampling at constant force   Sanku M
  • [gmx-users] Using umbrella sampling at constant force   Justin Lemkul
• [gmx-users] some question about REMD   Albert
  • [gmx-users] some question about REMD   saber naderi
    • [gmx-users] some question about REMD   Albert
      • [gmx-users] some question about REMD   saber naderi
      • [gmx-users] some question about REMD   Albert
      • [gmx-users] some question about REMD   Justin Lemkul
      • [gmx-users] some question about REMD   Albert
      • [gmx-users] some question about REMD   Justin Lemkul
      • [gmx-users] some question about REMD   Albert
      • [gmx-users] some question about REMD   Justin Lemkul
      • [gmx-users] some question about REMD   Albert
      • [gmx-users] some question about REMD   Albert
      • [gmx-users] some question about REMD   Justin Lemkul
      • [gmx-users] some question about REMD   Albert
      • [gmx-users] some question about REMD   Justin Lemkul
      • [gmx-users] some question about REMD   Albert
      • [gmx-users] some question about REMD   Justin Lemkul
      • [gmx-users] some question about REMD   Albert
• [gmx-users] Version 4.6   Roland Schulz
• [gmx-users] Using umbrella sampling at constant force   Christopher Neale
• [gmx-users] Restraining two Macromolecules   Arman M. Soufiani
  • [gmx-users] Restraining two Macromolecules   Justin Lemkul
    • [gmx-users] Restraining two Macromolecules   Arman Mahboubi Soufiani
  • [gmx-users] Restraining two Macromolecules   Paulo Netz
    • [gmx-users] Restraining two Macromolecules   Arman Mahboubi Soufiani
• [gmx-users] PCA   Tuba Kilinc
  • [gmx-users] PCA   Tsjerk Wassenaar
    • [gmx-users] PCA   Tsjerk Wassenaar
• [gmx-users] how to compile double precision of 4.6?   Albert
  • [gmx-users] how to compile double precision of 4.6?   Terry
• [gmx-users] interaction energy calculation   cuong nguyen
• [gmx-users] the CPU of REMD   Albert
  • [gmx-users] the CPU of REMD   Terry
• [gmx-users] question about the minimization   reisingere at rostlab.informatik.tu-muenchen.de
  • AW: [gmx-users] question about the minimization   Rausch, Felix
    • AW: [gmx-users] question about the minimization   reisingere at rostlab.informatik.tu-muenchen.de
      • AW: [gmx-users] question about the minimization   Erik Marklund
      • AW: [gmx-users] question about the minimization   reisingere at rostlab.informatik.tu-muenchen.de
      • AW: [gmx-users] question about the minimization   Justin Lemkul
      • AW: [gmx-users] question about the minimization   reisingere at rostlab.informatik.tu-muenchen.de
      • AW: [gmx-users] question about the minimization   Justin Lemkul
      • AW: [gmx-users] question about the minimization   reisingere at rostlab.informatik.tu-muenchen.de
      • AW: [gmx-users] question about the minimization   Justin Lemkul
      • AW: [gmx-users] question about the minimization   reisingere at rostlab.informatik.tu-muenchen.de
      • AW: AW: [gmx-users] question about the minimization   Rausch, Felix
      • AW: AW: [gmx-users] question about the minimization   reisingere at rostlab.informatik.tu-muenchen.de
      • AW: [gmx-users] question about the minimization   Erik Marklund
      • AW: [gmx-users] question about the minimization   reisingere at rostlab.informatik.tu-muenchen.de
  • [gmx-users] question about the minimization   Bogdan Costescu
• [gmx-users] I have a symmetric simulation box,   Ali Alizadeh
  • [gmx-users] Fwd: I have a symmetric simulation box,   Ali Alizadeh
    • [gmx-users] Fwd: I have a symmetric simulation box,   Erik Marklund
      • [gmx-users] Fwd: I have a symmetric simulation box,   Justin Lemkul
• [gmx-users] Sum of the two largest charge groups radii is larger than rlist!!!   Arman M. Soufiani
  • [gmx-users] Sum of the two largest charge groups radii is larger than rlist!!!   Justin Lemkul
    • [gmx-users] Sum of the two largest charge groups radii is larger than rlist!!!   Arman Mahboubi Soufiani
• [gmx-users] FW:reply Why can i get symmetric results   Ali Alizadeh
• [gmx-users] Re: gmx-users Digest, Vol 102, Issue 112   Ali Alizadeh
  • [gmx-users] Fwd: I have a symmetric simulation box,   Justin Lemkul
• [gmx-users] Re: gmx-users Digest, Vol 102, Issue 112   Ali Alizadeh
  • [gmx-users] Re: gmx-users Digest, Vol 102, Issue 112   Justin Lemkul
• [gmx-users] Re: gmx-users Digest, Vol 102, Issue 112   Ali Alizadeh
• [gmx-users] About EM for Lipid Protein Tutorila   vidhya sankar
  • [gmx-users] About EM for Lipid Protein Tutorila   Justin Lemkul
• [gmx-users] Average pressure(npt equilibration) could not reach my desired value   Ali Alizadeh
  • [gmx-users] Average pressure(npt equilibration) could not reach my desired value   Justin Lemkul
  • AW: [gmx-users] Average pressure(npt equilibration) could not reach my desired value   Rausch, Felix
• [gmx-users] Why Position Restraint on Protein in NVT?   Arman M. Soufiani
  • [gmx-users] Why Position Restraint on Protein in NVT?   Justin Lemkul
• [gmx-users] Dipole moment   Nilesh Dhumal
  • [gmx-users] Dipole moment   Javier Cerezo
    • [gmx-users] Dipole moment   Justin Lemkul
      • [gmx-users] Dipole moment   Nilesh Dhumal
      • [gmx-users] Dipole moment   Nilesh Dhumal
      • [gmx-users] Dipole moment   Javier Cerezo
      • [gmx-users] Dipole moment   Nilesh Dhumal
      • [gmx-users] Dipole moment   Nilesh Dhumal
      • [gmx-users] Dipole moment   Javier Cerezo
      • [gmx-users] Dipole moment   Rajiv Gandhi
      • [gmx-users] Dipole moment   Chandan Choudhury
  • [gmx-users] Dipole moment   David van der Spoel
• [gmx-users] Re: gmx-users Digest, Vol 102, Issue 117   Ali Alizadeh
• [gmx-users] Why Position Restraint on Protein in NVT?   Arman M. Soufiani
• [gmx-users] Box size/type confusion for bilayer system   klexa
  • [gmx-users] Box size/type confusion for bilayer system   Justin Lemkul
    • [gmx-users] Box size/type confusion for bilayer system   Peter C. Lai
      • [gmx-users] Box size/type confusion for bilayer system   Justin Lemkul
      • [gmx-users] Box size/type confusion for bilayer system   Peter C. Lai
• [gmx-users] Box size/type confusion for bilayer system   klexa
  • [gmx-users] Box size/type confusion for bilayer system   Justin Lemkul
• [gmx-users] Mix NVT and NVE   Andy Somogyi
• [gmx-users] Box size/type confusion for bilayer system   Christopher Neale
• [gmx-users] A favor question: experience running Gromacs in the cloud   Andrew DeYoung
  • [gmx-users] A favor question: experience running Gromacs in the cloud   Joris Poort
  • [gmx-users] A favor question: experience running Gromacs in the cloud   Szilárd Páll
    • [gmx-users] A favor question: experience running Gromacs in the cloud   Joris Poort
• [gmx-users] Fwd: Fwd: I have a symmetric simulation box   Ali Alizadeh
• [gmx-users] Fwd: Fwd: I have a symmetric simulation box   Christopher Neale
• [gmx-users] My simulation box was shrunk !!   Ali Alizadeh
  • [gmx-users] My simulation box was shrunk !!   Justin Lemkul
• [gmx-users] remd jobs failed   Albert
  • [gmx-users] remd jobs failed   Davide Mercadante
    • [gmx-users] remd jobs failed   Albert
      • [gmx-users] remd jobs failed   Davide Mercadante
  • [gmx-users] remd jobs failed   Justin Lemkul
• [gmx-users] Changing md command line in a script!   Arman M. Soufiani
  • [gmx-users] Changing md command line in a script!   Justin Lemkul
• [gmx-users] Error on mpi installation   Rajiv Gandhi
• [gmx-users] problem with g_density -center   Ali Alizadeh
• [gmx-users] problem with g_density -center   Christopher Neale
• [gmx-users] problem with g_density -center   Christopher Neale
• [gmx-users] problem with g_density -center   Ali Alizadeh
• [gmx-users] Re: Changing md command line in a script!   Dr. Vitaly Chaban
  • [gmx-users] Re: Changing md command line in a script!   Arman Mahboubi Soufiani
• [gmx-users] problem with g_density -center   Ali Alizadeh
• [gmx-users] problem with g_density -center   Christopher Neale
• [gmx-users] problem with g_density -center   Christopher Neale
• [gmx-users] problem with g_density -center   Ali Alizadeh
• [gmx-users] problem with g_density -center   Christopher Neale
• [gmx-users] GPU-C2075-simulation-solw -reg   venkatesh s
  • [gmx-users] GPU-C2075-simulation-solw -reg   Justin Lemkul
• [gmx-users] Fluctuations in NVT and NPT resulting plots   Shima Arasteh
  • [gmx-users] Fluctuations in NVT and NPT resulting plots   Arman Mahboubi Soufiani
  • [gmx-users] Fluctuations in NVT and NPT resulting plots   Justin Lemkul
    • [gmx-users] Fluctuations in NVT and NPT resulting plots   Shima Arasteh
      • [gmx-users] Fluctuations in NVT and NPT resulting plots   Justin Lemkul
• [gmx-users] Extending simulation   Shima Arasteh
  • [gmx-users] Extending simulation   Justin Lemkul
  • [gmx-users] Extending simulation   Erik Marklund
    • [gmx-users] Extending simulation   Shima Arasteh
      • [gmx-users] Extending simulation   Justin Lemkul
• Fw: [gmx-users] Fluctuations in NVT and NPT resulting plots   Shima Arasteh
  • Fw: [gmx-users] Fluctuations in NVT and NPT resulting plots   Arman Mahboubi Soufiani
• [gmx-users] how to restart remd jobs?   Albert
• [gmx-users] how to restart remd jobs?   Mark Abraham
• [gmx-users] LINCS vs SHAKE!   Arman M. Soufiani
  • [gmx-users] LINCS vs SHAKE!   Mark Abraham
• [gmx-users] Re: Fluctuations in NVT and NPT resulting plots   Ali Alizadeh
  • [gmx-users] Re: Fluctuations in NVT and NPT resulting plots   Justin Lemkul
• [gmx-users] possible problem with gpc-f106n004   Christopher Neale
• [gmx-users] Plotting area per lipid along time   Shima Arasteh
  • [gmx-users] Plotting area per lipid along time   Justin Lemkul
• [gmx-users] Re: Fluctuations in NVT and NPT resulting plots   Ali Alizadeh
  • [gmx-users] Re: Fluctuations in NVT and NPT resulting plots   Justin Lemkul
• [gmx-users] Re: Fluctuations in NVT and NPT resulting plots   Ali Alizadeh
• [gmx-users] GPU-C2075-simulation-solw or GPU only running -reg   venkatesh s
  • [gmx-users] GPU-C2075-simulation-solw or GPU only running -reg   Justin Lemkul
• [gmx-users] (no subject)   Sheyore Omovie
• [gmx-users] Fw:   Sheyore Omovie
• [gmx-users] why not double precision?   Albert
• [gmx-users] mpi enabled gromacs   Rajiv Gandhi
  • [gmx-users] mpi enabled gromacs   TH Chew
    • [gmx-users] mpi enabled gromacs   Rajiv Gandhi
• [gmx-users] how to keep chain ID?   Albert
  • [gmx-users] how to keep chain ID?   Justin Lemkul
• [gmx-users] Re: GPU-C2075-simulation-solw or GPU only running -reg   venkatesh s
• [gmx-users] Integration with SOFA   jdnnkoko
• [gmx-users] Hydrazine force field   squarta
  • [gmx-users] Re: Hydrazine force field   squarta
• [gmx-users] grompp error   Nur Syafiqah Abdul Ghani
  • [gmx-users] grompp error   Justin Lemkul
    • [gmx-users] Re: grompp error   shika
    • [gmx-users] Re: grompp error   shika
• [gmx-users] Question   Davoud Zare
  • [gmx-users] Question   Justin Lemkul
• [gmx-users] problem with the index.ndx for EDS simulation   James Starlight
• [gmx-users] Re: mpi enabled gromacs (   Dr. Vitaly Chaban
  • [gmx-users] Re: mpi enabled gromacs (   Rajiv Gandhi
    • [gmx-users] Re: mpi enabled gromacs (   Dr. Vitaly Chaban
• [gmx-users] Re: grompp error   Dr. Vitaly Chaban
• [gmx-users] Segmentation fault while calculating water mediated H-bond with g_hbond   bipin singh
  • [gmx-users] Segmentation fault while calculating water mediated H-bond with g_hbond   Erik Marklund
• [gmx-users] memory usage grows without bounds   Pablo Serra
  • [gmx-users] memory usage grows without bounds   Mark Abraham
    • [gmx-users] memory usage grows without bounds   Pablo Serra
• [gmx-users] memory usage grows without bounds   Marcelo Carignano
• [gmx-users] Center of my simulation box   Ali Alizadeh
  • [gmx-users] Center of my simulation box   Erik Marklund
• [gmx-users] Freeze group atoms changing position   Alex Marshall
  • [gmx-users] Freeze group atoms changing position   Justin Lemkul
    • [gmx-users] Freeze group atoms changing position   Alex Marshall
      • [gmx-users] Freeze group atoms changing position   Justin Lemkul
      • [gmx-users] Freeze group atoms changing position   Bogdan Costescu
      • [gmx-users] Freeze group atoms changing position   Alex Marshall
      • [gmx-users] Freeze group atoms changing position   Alex Marshall
• [gmx-users] problem with g_density   Ali Alizadeh
• [gmx-users] problem with g_density   Christopher Neale
• [gmx-users] Center of my simulation box   Christopher Neale
• [gmx-users] Can't center box with trjconv   Ignacio Fernández Galván
  • [gmx-users] Can't center box with trjconv   Erik Marklund
• [gmx-users] some warnings   Albert
  • [gmx-users] some warnings   Justin Lemkul
    • [gmx-users] some warnings   Albert
• [gmx-users] About Diffusion of Solvent Molecules   vidhya sankar
  • [gmx-users] About Diffusion of Solvent Molecules   Justin Lemkul
• [gmx-users] About Packaging of Protein by Lipids   vidhya sankar
  • [gmx-users] About Packaging of Protein by Lipids   Justin Lemkul
• [gmx-users] ATP/ADP+Pi   闪耀星空
  • [gmx-users] ATP/ADP+Pi   Justin Lemkul
  • [gmx-users] ATP/ADP+Pi   João M. Damas
• [gmx-users] Holes in the solvent!   Arman M. Soufiani
  • [gmx-users] Holes in the solvent!   Justin Lemkul
    • [gmx-users] Holes in the solvent!   Dallas Warren
• [gmx-users] calculate RDC from MD trajectory   Gurunath Katagi
• [gmx-users] Conceptual question about the representation of dihedral angles in Gromacs   Andrew DeYoung
  • [gmx-users] Conceptual question about the representation of dihedral angles in Gromacs   David van der Spoel
  • [gmx-users] Conceptual question about the representation of dihedral angles in Gromacs   Arman Mahboubi Soufiani
• 回复： [gmx-users] ATP/ADP+Pi   闪耀星空
• 回复： 回复： [gmx-users] ATP/ADP+Pi   闪耀星空
  • Re: 回复： 回复： [gmx-users] ATP/ADP+Pi   João M. Damas
• [gmx-users] About Solvation of Lipid Protein   vidhya sankar
  • [gmx-users] About Solvation of Lipid Protein   Justin Lemkul
• [gmx-users] Type 9 dihedral in Gromacs topology   Andrew DeYoung
  • [gmx-users] Type 9 dihedral in Gromacs topology   Peter C. Lai
• [gmx-users] g_rms problem   Albert
• [gmx-users] g_rms problem   Christopher Neale
  • [gmx-users] g_rms problem   Albert
• [gmx-users] About Removing excees Water molcules in Lipid Bilayer simulation   vidhya sankar
  • [gmx-users] About Removing excees Water molcules in Lipid Bilayer simulation   Justin Lemkul
• [gmx-users] About DPPC Cut-off   vidhya sankar
  • [gmx-users] About DPPC Cut-off   Justin Lemkul
• [gmx-users] g_rms problem   Christopher Neale
  • [gmx-users] g_rms problem   Albert
• [gmx-users] g_rms problem   Christopher Neale
  • [gmx-users] g_rms problem   Albert
• [gmx-users] strange RMSD output   Albert
• [gmx-users] .gro file problem   Albert
  • [gmx-users] .gro file problem   Justin Lemkul
    • [gmx-users] .gro file problem   Albert
      • [gmx-users] .gro file problem   Justin Lemkul
• [gmx-users] Error during CNP simulation   Bharath K. Srikanth
• [gmx-users] Error during CNP simulation   Christopher Neale
• [gmx-users] strange RMSD output   Christopher Neale
• [gmx-users] Re: Error during CNP simulation   Bharath K. Srikanth
• [gmx-users] time-block analysis   leila karami
• [gmx-users] criterion of the convergence of the simulation   Atila Petrosian
  • [gmx-users] criterion of the convergence of the simulation   Thomas Evangelidis
• [gmx-users] Re: Holes in the solvent!   Dr. Vitaly Chaban
  • [gmx-users] Re: Holes in the solvent!   Arman Mahboubi Soufiani
    • [gmx-users] Re: Holes in the solvent!   Justin Lemkul
    • [gmx-users] Re: Holes in the solvent!   Dr. Vitaly Chaban
• [gmx-users] Re: criterion of the convergence of the simulation   Dr. Vitaly Chaban
• [gmx-users] About Box vector and solvation   vidhya sankar
  • [gmx-users] About Box vector and solvation   Justin Lemkul
• [gmx-users] version 4.5.5 GPU with gtx670 and cuda 4.2   sebastian
  • [gmx-users] version 4.5.5 GPU with gtx670 and cuda 4.2   Jesper Sørensen
• [gmx-users] g_density   Ali Alizadeh
• [gmx-users] too much warnings and notes   Albert
  • [gmx-users] too much warnings and notes   Carsten Kutzner
    • [gmx-users] too much warnings and notes   Albert
      • [gmx-users] too much warnings and notes   Justin Lemkul
      • [gmx-users] too much warnings and notes   Carsten Kutzner
• [gmx-users] Re: too much warnings and notes   Dr. Vitaly Chaban
• [gmx-users] About Keepbyz script for Deleting sol Molecules   vidhya sankar
  • [gmx-users] About Keepbyz script for Deleting sol Molecules   Justin Lemkul
• Fwd: Re: [gmx-users] version 4.5.5 GPU with gtx670 and cuda 4.2   sebastian
• [gmx-users] version 4.5.5 GPU with gtx670 and cuda 4.2   Jesper Sørensen
• [gmx-users] Angle between two six membered rings   bipin singh
• [gmx-users] NVT input file   Davoud Zare
  • [gmx-users] NVT input file   Davoud Zare
    • [gmx-users] NVT input file   Justin Lemkul
• [gmx-users] Error during CNP simulation   Christopher Neale
• [gmx-users] g_density   Christopher Neale
• [gmx-users] time-block analysis   Christopher Neale
• [gmx-users] Holes in the solvent!   Christopher Neale
  • [gmx-users] Holes in the solvent!   Arman Mahboubi Soufiani
    • [gmx-users] Holes in the solvent!   Broadbent, Richard
      • [gmx-users] Holes in the solvent!   Arman Mahboubi Soufiani
      • [gmx-users] Holes in the solvent!   Richard Broadbent
• [gmx-users] hessian conversion   Yao Yao
  • Fw: [gmx-users] hessian conversion   Yao Yao
• [gmx-users] Re: Error during CNP simulation   Bharath K. Srikanth
  • [gmx-users] Re: Error during CNP simulation   Justin Lemkul
• [gmx-users] Biphasic Systems   Davoud Zare
  • [gmx-users] Biphasic Systems   Justin Lemkul
• [gmx-users] martian thing   Miguel Ángel Mompeán García
• [gmx-users] Error during CNP simulation   Christopher Neale
• [gmx-users] steered pulling code on ligand-receptor complex   范聪
  • [gmx-users] steered pulling code on ligand-receptor complex   Jianguo Li
• [gmx-users] Re: Re: Error during CNP simulation   Bharath K. Srikanth
• [gmx-users] Error in npt run - box size/ triclinic skew factor   mtso
  • [gmx-users] Error in npt run - box size/ triclinic skew factor   Justin Lemkul
    • [gmx-users] Re: Error in npt run - box size/ triclinic skew factor   mtso
      • [gmx-users] Re: Error in npt run - box size/ triclinic skew factor   Justin Lemkul
      • [gmx-users] Re: Error in npt run - box size/ triclinic skew factor   mtso
      • [gmx-users] Re: Error in npt run - box size/ triclinic skew factor   Justin Lemkul
• [gmx-users] Self-diffusion in high temperature water   Jose Ignacio Marquez
• [gmx-users] Why potential energy not in negative value?   Nur Syafiqah Abdul Ghani
  • [gmx-users] Why potential energy not in negative value?   Justin Lemkul
• [gmx-users] fraction of native contacts calculation   bipin singh
  • [gmx-users] fraction of native contacts calculation   Justin Lemkul
• [gmx-users] time-block analysis   leila karami
• [gmx-users] g_rdf   Ali Alizadeh
• [gmx-users] Re, density   Ali Alizadeh
• [gmx-users] time-block analysis   Christopher Neale
• [gmx-users] g_rdf   Ali Alizadeh
• [gmx-users] testing Gromacs 4.6 (git version) on GPUs   Susan Chacko
• [gmx-users] time-block analysis   leila karami
• [gmx-users] Re, density   Christopher Neale
• [gmx-users] time-block analysis   Christopher Neale
• [gmx-users] Cholesterol parameters (Charrm36) in GMX   Yorquant Wang
• [gmx-users] About Doubt in Lipid protein Solvation   vidhya sankar
  • [gmx-users] About Doubt in Lipid protein Solvation   Justin Lemkul
• [gmx-users] testing Gromacs 4.6 (git version) on GPUs   Roland Schulz
  • [gmx-users] testing Gromacs 4.6 (git version) on GPUs   Susan Chacko
• [gmx-users] What exactly is the artifact caused by setting refcoord_scaling=no with position restraint   Yun Shi
• [gmx-users] What exactly is the artifact caused by setting refcoord_scaling=no with position restraint   Christopher Neale
• [gmx-users] g_rdf   Ali Alizadeh
• [gmx-users] Freeze group atoms changing position   Christopher Neale
  • [gmx-users] Freeze group atoms changing position   Alex Marshall
    • [gmx-users] Freeze group atoms changing position   Justin Lemkul
• [gmx-users] PCA   Tuba Kilinc
• [gmx-users] Freeze group atoms changing position   Christopher Neale
  • [gmx-users] Freeze group atoms changing position   Justin Lemkul
• [gmx-users] Freeze group atoms changing position   Christopher Neale
• [gmx-users] Re density   Ali Alizadeh
• [gmx-users] g_rdf   Ali Alizadeh
  • [gmx-users] g_rdf   Justin Lemkul
• [gmx-users] g_rdf   Christopher Neale
• [gmx-users] Gmx Hessian   Yao Yao

Last message date: Wed Oct 31 23:10:31 CET 2012
Archived on: Thu Nov 14 12:13:28 CET 2013

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