June 2009 Archives by thread

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Starting: Mon Jun 1 08:24:41 CEST 2009
Ending: Tue Jun 30 22:18:56 CEST 2009
Messages: 755

• [gmx-users] Re: Extend water layer along negative Z-direction   Anirban Ghosh
  • [gmx-users] Re: Extend water layer along negative Z-direction   Tsjerk Wassenaar
• [gmx-users] Re: solution molecules cannot be set by mdrun after neutralization   Stefano Meliga
  • [gmx-users] Re: solution molecules cannot be set by mdrun after neutralization   XAvier Periole
  • [gmx-users] Re: solution molecules cannot be set by mdrun after neutralization   Mark Abraham
• [gmx-users] crystals of KCl during simulation   Rebeca García Fandiño
  • [gmx-users] crystals of KCl during simulation   Mark Abraham
  • [gmx-users] crystals of KCl during simulation   Marc Baaden
    • [gmx-users] crystals of KCl during simulation   Rebeca García Fandiño
      • [gmx-users] crystals of KCl during simulation   David van der Spoel
      • [gmx-users] crystals of KCl during simulation   Rebeca García Fandiño
      • [gmx-users] crystals of KCl during simulation   moura at ufscar.br
      • [gmx-users] crystals of KCl during simulation   Rebeca García Fandiño
      • [gmx-users] crystals of KCl during simulation   David van der Spoel
      • [gmx-users] crystals of KCl during simulation   moura at ufscar.br
      • [gmx-users] crystals of KCl during simulation   Rebeca García Fandiño
      • [gmx-users] crystals of KCl during simulation   Mark Abraham
      • [gmx-users] spc.itp for the amber force field   Rebeca García Fandiño
      • [gmx-users] spc.itp for the amber force field   Mark Abraham
      • [gmx-users] overrriding problem   Rebeca García Fandiño
• [gmx-users] Extend water layer along negative Z-direction   Chris Neale
• [gmx-users] Fatal error:Library file aminoacids.dat not found in current dir nor in default directories   Jinyao Wang
  • [gmx-users] Fatal error:Library file aminoacids.dat not found in current dir nor in default directories   Mark Abraham
    • [gmx-users] Fatal error:Library file aminoacids.dat not found in current dir nor in default directories   Oliver Stueker
      • [gmx-users] Fatal error:Library file aminoacids.dat not found in current dir nor in default directories   Mark Abraham
• [gmx-users] Re: gmx-users Digest, Vol 62, Issue 4   Alan Chen
• [gmx-users] installation   Samik Bhattacharya
  • [gmx-users] installation   Manik Mayur
  • [gmx-users] installation   Mark Abraham
  • [gmx-users] installation   Nuno Azoia
    • [gmx-users] installation   Mark Abraham
      • [gmx-users] installation   Nuno Azoia
• [gmx-users] Fwd: Segmentation fault while running gromacs 4.0.4   Ms. Aswathy S
  • [gmx-users] Fwd: Segmentation fault while running gromacs 4.0.4   Mark Abraham
• [gmx-users] plain cutoff coulomb   Cheong Wee Loong, Daniel
  • [gmx-users] plain cutoff coulomb   Mark Abraham
• [gmx-users] Gromacs 4.0.4 problem in extending MARTINI run by 600 ns, but no problem extending run by 60 ns using tpbconv   himanshu khandelia
  • [gmx-users] Gromacs 4.0.4 problem in extending MARTINI run by 600 ns, but no problem extending run by 60 ns using tpbconv   Mark Abraham
• [gmx-users] mdrun seems stuck   Stefano Meliga
  • [gmx-users] mdrun seems stuck   Nuno Azoia
    • [gmx-users] mdrun seems stuck   Stefano Meliga
      • [gmx-users] mdrun seems stuck   Jussi Lehtola
• [gmx-users] segfault(11) -- simulation blows up on first step   Inon Sharony
  • [gmx-users] segfault(11) -- simulation blows up on first step   Itamar Kass
  • [gmx-users] segfault(11) -- simulation blows up on first step   Justin A. Lemkul
• [gmx-users] segfault(11) -- simulation blows up on first step   Inon Sharony
• [gmx-users] problem with generation of .gro file   subarna thakur
  • [gmx-users] problem with generation of .gro file   Justin A. Lemkul
• [gmx-users] Normal of the benzene and z axis.   Eudes Fileti
  • [gmx-users] Normal of the benzene and z axis.   Mark Abraham
  • [gmx-users] Re: Normal of the benzene and z axis.   Eudes Fileti
    • [gmx-users] Re: Normal of the benzene and z axis.   David van der Spoel
• [gmx-users] g_dist   gmx-users-bounces at gromacs.org
• [gmx-users] gromacs invsqrt() overlaps with icc invsqrt()   chris.neale at utoronto.ca
  • [gmx-users] gromacs invsqrt() overlaps with icc invsqrt()   Mark Abraham
    • [gmx-users] gromacs invsqrt() overlaps with icc invsqrt()   Tsjerk Wassenaar
• [gmx-users] Computer simulation details   Pramod Akula
  • [gmx-users] Computer simulation details   Kukol, Andreas
• [gmx-users] Resizing heterogeneous membrane (POPG/POPE mixture)   Shay Amram
  • [gmx-users] Resizing heterogeneous membrane (POPG/POPE mixture)   Justin A. Lemkul
    • [gmx-users] Resizing heterogeneous membrane (POPG/POPE mixture)   Shay Amram
  • [gmx-users] Resizing heterogeneous membrane (POPG/POPE mixture)   Nicolas Sapay
    • [gmx-users] Resizing heterogeneous membrane (POPG/POPE mixture)   Shay Amram
• [gmx-users] Re: [gmx-developers] Fwd: Simulating Gases with GROMACS 4.0   Justin A. Lemkul
• [gmx-users] PME on BlueGene   Jakob Wohlert
  • [gmx-users] PME on BlueGene   Mark Abraham
    • [gmx-users] PME on BlueGene   He, Yang
    • [gmx-users] PME on BlueGene   Jakob Wohlert
      • [gmx-users] PME on BlueGene   Mark Abraham
• [gmx-users] problem in equilibration step   nitu sharma
  • [gmx-users] problem in equilibration step   Mark Abraham
• [gmx-users] Problem in fianl step of MD   rituraj purohit
  • [gmx-users] Problem in fianl step of MD   Mark Abraham
• [gmx-users] problem in inflategro   Samik Bhattacharya
  • [gmx-users] problem in inflategro   Justin A. Lemkul
• [gmx-users] lincs warning   XAvier Periole
  • [gmx-users] lincs warning   Mark Abraham
    • [gmx-users] lincs warning   XAvier Periole
  • [gmx-users] lincs warning   Ran Friedman
    • [gmx-users] lincs warning   XAvier Periole
      • [gmx-users] lincs warning   Erik Marklund
      • [gmx-users] lincs warning   Giovanni Bussi
      • [gmx-users] lincs warning   XAvier Periole
      • [gmx-users] lincs warning   XAvier Periole
• [gmx-users] Fwd: problem with FES4 cluster   Tsjerk Wassenaar
• [gmx-users] .itp file for an electrode   Negar Ashari Astani
  • [gmx-users] .itp file for an electrode   Kukol, Andreas
• [gmx-users] problem with FeS cluster   subarna thakur
  • [gmx-users] problem with FeS cluster   Justin A. Lemkul
    • [gmx-users] problem with FeS cluster   subarna thakur
      • [gmx-users] problem with FeS cluster   Justin A. Lemkul
• [gmx-users] g_dist: extract distances between any two atom pairs   Joern Lenz
  • [gmx-users] g_dist: extract distances between any two atom pairs   Justin A. Lemkul
    • [gmx-users] g_dist: extract distances between any two atom pairs   Erik Marklund
• [gmx-users] Re: Re: Normal of the benzene and z axis.   Eudes Fileti
  • [gmx-users] Re: Re: Normal of the benzene and z axis.   David van der Spoel
• [gmx-users] protein running out of box   sheerychen
  • [gmx-users] protein running out of box   Justin A. Lemkul
• [gmx-users] protein running out of box   ravi sharma
• [gmx-users] Some questions regarding generating topologies   Manik Mayur
  • [gmx-users] Some questions regarding generating topologies   Justin A. Lemkul
    • [gmx-users] Some questions regarding generating topologies   Manik Mayur
      • [gmx-users] Some questions regarding generating topologies   Justin A. Lemkul
• [gmx-users] Gromacs output analysis   rituraj purohit
  • [gmx-users] Gromacs output analysis   XAvier Periole
  • [gmx-users] Gromacs output analysis   Justin A. Lemkul
• [gmx-users] ??using pull code when orientation of system changes during MD??   DayleMarieSmith at gmail.com
• [gmx-users] about PMF calculation   mircial at sjtu.edu.cn
• [gmx-users] Replacing the PRODRG charges   Lucio Ricardo Montero Valenzuela
  • [gmx-users] Replacing the PRODRG charges   Mark Abraham
    • [gmx-users] Replacing the PRODRG charges   Lucio Ricardo Montero Valenzuela
      • [gmx-users] Replacing the PRODRG charges   Justin A. Lemkul
      • [gmx-users] Replacing the PRODRG charges   Marc F. Lensink
• [gmx-users] how to include ionic strength   amri ta
  • [gmx-users] how to include ionic strength   Mark Abraham
• [gmx-users] DSSP problem   rituraj purohit
  • [gmx-users] DSSP problem   Mark Abraham
• [gmx-users] DSSP problem   rituraj purohit
  • [gmx-users] DSSP problem   Manik Mayur
  • [gmx-users] DSSP problem   Mark Abraham
• [gmx-users] gromos type in .rtp file   subarna thakur
  • [gmx-users] gromos type in .rtp file   XAvier Periole
• [gmx-users] gromacs website: "(There is currently no text in this page)"   pim schravendijk
  • [gmx-users] gromacs website: "(There is currently no text in this page)"   Justin A. Lemkul
    • [gmx-users] gromacs website: "(There is currently no text in this page)"   pim schravendijk
      • [gmx-users] gromacs website: "(There is currently no text in this page)"   Mark Abraham
    • [gmx-users] diffusion coefficient with g_msd   Sarah Witzke
      • [gmx-users] diffusion coefficient with g_msd   XAvier Periole
      • SV: [gmx-users] diffusion coefficient with g_msd   Sarah Witzke
      • SV: [gmx-users] diffusion coefficient with g_msd   XAvier Periole
      • SV: SV: [gmx-users] diffusion coefficient with g_msd   Sarah Witzke
      • SV: SV: [gmx-users] diffusion coefficient with g_msd   Justin A. Lemkul
• [gmx-users] Entending water in negative Z direction   Anirban Ghosh
  • [gmx-users] Entending water in negative Z direction   David van der Spoel
  • [gmx-users] Entending water in negative Z direction   Tsjerk Wassenaar
• [gmx-users] Scaled 1-5 interactions   Borys Szefczyk
  • [gmx-users] Scaled 1-5 interactions   Mark Abraham
    • [gmx-users] Scaled 1-5 interactions   Borys Szefczyk
    • [gmx-users] Scaled 1-5 interactions   Florian Dommert
      • [gmx-users] Scaled 1-5 interactions   David van der Spoel
      • [gmx-users] Scaled 1-5 interactions   Florian Dommert
      • [gmx-users] Scaled 1-5 interactions   Borys Szefczyk
      • [gmx-users] Scaled 1-5 interactions   Florian Dommert
      • [gmx-users] Scaled 1-5 interactions   Borys Szefczyk
• [gmx-users] Entending water in negative Z direction   chris.neale at utoronto.ca
• [gmx-users] Re: goverrriding problem   Alan
  • [gmx-users] Re: goverrriding problem   Rebeca García Fandiño
• [gmx-users] g_hbond error   krishnakumar
  • [gmx-users] g_hbond error   Justin A. Lemkul
    • [gmx-users] g_hbond error   Erik Marklund
• [gmx-users] reference group in constant velocity pulling, GMX 4   Simba Xiao
• [gmx-users] Re: Extending water in negative Z direction   Anirban Ghosh
  • [gmx-users] Re: Extending water in negative Z direction   David van der Spoel
  • [gmx-users] Re: Extending water in negative Z direction   Tsjerk Wassenaar
• [gmx-users] conversion to tip5p   Dmitri Dubov
  • [gmx-users] conversion to tip5p   Manik Mayur
  • [gmx-users] conversion to tip5p   Justin A. Lemkul
• [gmx-users] Pressure and NVT Simulations   Manik Mayur
  • [gmx-users] Pressure and NVT Simulations   Jussi Lehtola
    • [gmx-users] Pressure and NVT Simulations   Manik Mayur
      • [gmx-users] Pressure and NVT Simulations   Jussi Lehtola
• [gmx-users] Reg. g_density   Jagan Mohan
  • [gmx-users] Reg. g_density   Tsjerk Wassenaar
    • [gmx-users] Reg. g_density   Jagan Mohan
      • [gmx-users] Reg. g_density   Tsjerk Wassenaar
• [gmx-users] PME nodes   XAvier Periole
  • [gmx-users] PME nodes   David van der Spoel
  • [gmx-users] PME nodes   Justin A. Lemkul
    • [gmx-users] PME nodes   XAvier Periole
      • [gmx-users] PME nodes   David van der Spoel
      • [gmx-users] PME nodes   Carsten Kutzner
• [gmx-users] g_helix command error   Chitrita Dutta Roy
• [gmx-users] Nonrepeatable results for gromacs 4.0.5   Jim Kress
  • [gmx-users] Nonrepeatable results for gromacs 4.0.5   David van der Spoel
    • [gmx-users] Nonrepeatable results for gromacs 4.0.5   Erik Lindahl
    • [gmx-users] Nonrepeatable results for gromacs 4.0.5   jimkress_58
      • [gmx-users] Nonrepeatable results for gromacs 4.0.5   Erik Marklund
• [gmx-users] reg aCTIVE SITE   vidhya sankar
  • [gmx-users] reg aCTIVE SITE   Justin A. Lemkul
• [gmx-users] how to run with mpi?   Joseph Johnson
• [gmx-users] about epsion_surface   lammps lammps
  • [gmx-users] about epsion_surface   Mark Abraham
• [gmx-users] how to include Fe-S topology in .rtp file   amri ta
  • [gmx-users] how to include Fe-S topology in .rtp file   Justin A. Lemkul
• [gmx-users] problem in running grompp   Samik Bhattacharya
  • [gmx-users] problem in running grompp   Justin A. Lemkul
• [gmx-users] PME nodes   Andrei Neamtu
  • [gmx-users] PME nodes   Carsten Kutzner
• [gmx-users] gromacs on glacier   Payman Pirzadeh
  • [gmx-users] gromacs on glacier   Justin A. Lemkul
    • [gmx-users] gromacs on glacier   Payman Pirzadeh
      • [gmx-users] gromacs on glacier   Justin A. Lemkul
      • [gmx-users] gromacs on glacier   Payman Pirzadeh
      • [gmx-users] gromacs on glacier   Justin A. Lemkul
      • [gmx-users] Suggestion for g_tune_pme   Jim Kress
      • [gmx-users] Suggestion for g_tune_pme   Jim Kress
• [gmx-users] Energies in simulation   Payman Pirzadeh
  • [gmx-users] Energies in simulation   David van der Spoel
    • [gmx-users] Energies in simulation   Payman Pirzadeh
      • [gmx-users] Energies in simulation   David van der Spoel
      • [gmx-users] Energies in simulation   Payman Pirzadeh
      • [gmx-users] Energies in simulation   David van der Spoel
      • [gmx-users] Energies in simulation   Payman Pirzadeh
      • [gmx-users] Energies in simulation   David van der Spoel
      • [gmx-users] Energies in simulation   Payman Pirzadeh
• [gmx-users] best way to generate .pdb files?   Joseph Johnson
  • [gmx-users] best way to generate .pdb files?   Justin A. Lemkul
• [gmx-users] zero surface tension   lammps lammps
• [gmx-users] problem with trjconv   nitu sharma
  • [gmx-users] problem with trjconv   Mark Abraham
• [gmx-users] Shell dynamics with vdW terms.   Rafael Rodríguez Pappalardo
  • [gmx-users] Shell dynamics with vdW terms.   Berk Hess
    • [gmx-users] Shell dynamics with vdW terms.   Rafael Rodríguez Pappalardo
      • [gmx-users] Shell dynamics with vdW terms.   Berk Hess
      • [gmx-users] Shell dynamics with vdW terms.   Rafael Rodríguez Pappalardo
      • [gmx-users] Shell dynamics with vdW terms.   Berk Hess
• [gmx-users] problem in running grompp   Samik Bhattacharya
  • [gmx-users] problem in running grompp   Justin A. Lemkul
• [gmx-users] trouble for old/new GROMACS site   Anna Marabotti
  • [gmx-users] trouble for old/new GROMACS site   Justin A. Lemkul
• [gmx-users] units of eigenvalues of mass-weighted covariance matrix   Wang Qin
  • [gmx-users] units of eigenvalues of mass-weighted covariance matrix   Mark Abraham
    • [gmx-users] units of eigenvalues of mass-weighted covariance matrix   Tsjerk Wassenaar
    • [gmx-users] units of eigenvalues of mass-weighted covariance matrix   Berk Hess
• [gmx-users] non-standard residues in pdb2gmx   Gard Nelson
  • [gmx-users] non-standard residues in pdb2gmx   Justin A. Lemkul
    • [gmx-users] non-standard residues in pdb2gmx   Tsjerk Wassenaar
• [gmx-users] x2top_d running for too long   vivek sharma
  • [gmx-users] x2top_d running for too long   Mark Abraham
    • [gmx-users] x2top_d running for too long   vivek sharma
      • [gmx-users] x2top_d running for too long   David van der Spoel
• [gmx-users] Re: trouble for old/new GROMACS site   Anna Marabotti
  • [gmx-users] Re: trouble for old/new GROMACS site   Mark Abraham
• [gmx-users] problem in running grompp   Samik Bhattacharya
  • [gmx-users] Re: problem in running grompp   Justin A. Lemkul
• [gmx-users] vdwradii.dat - where do the values come from?   João M. Damas
• [gmx-users] problem fitting trajectory   Rebeca García Fandiño
  • [gmx-users] problem fitting trajectory   Justin A. Lemkul
    • [gmx-users] problem fitting trajectory   Tsjerk Wassenaar
      • [gmx-users] problem fitting trajectory   Daniel Adriano Silva M
• [gmx-users] Small molecule-protein complexes MD simulations   Andrew Voronkov
  • [gmx-users] Small molecule-protein complexes MD simulations   Mark Abraham
• [gmx-users] g_energy returns the instantaneous data or the average data?   Chih-Ying Lin
  • [gmx-users] g_energy returns the instantaneous data or the average data?   Mark Abraham
• [gmx-users] problem regarding removal of water from final simulation system.   nitu sharma
  • [gmx-users] problem regarding removal of water from final simulation system.   Dallas B. Warren
  • [gmx-users] problem regarding removal of water from final simulation system.   Mark Abraham
• [gmx-users] gromacs-4.0.5 parallel run in 8 cpu: slow speed   Thamu
  • [gmx-users] gromacs-4.0.5 parallel run in 8 cpu: slow speed   Jussi Lehtola
  • [gmx-users] gromacs-4.0.5 parallel run in 8 cpu: slow speed   Mark Abraham
• [gmx-users] Implicit walls.   Yves Dubief
• [gmx-users] gmx_blast error when attempting to run in parallel   Sashank Karri
  • [gmx-users] gmx_blast error when attempting to run in parallel   David van der Spoel
  • [gmx-users] gmx_blast error when attempting to run in parallel   Justin A. Lemkul
• [gmx-users] gromacs-4.0.5 parallel run in 8 cpu: slow speed   Thamu
  • [gmx-users] gromacs-4.0.5 parallel run in 8 cpu: slow speed   Mark Abraham
  • [gmx-users] gromacs-4.0.5 parallel run in 8 cpu: slow speed   jimkress_58
• [gmx-users] Re: gmx-users Digest, Vol 62, Issue 57   Thamu
  • [gmx-users] Re: gmx-users Digest, Vol 62, Issue 57   Justin A. Lemkul
• [gmx-users] Re: gromacs-4.0.5 parallel run in 8 cpu: slow speed   Thamu
  • [gmx-users] Re: gromacs-4.0.5 parallel run in 8 cpu: slow speed   David van der Spoel
  • [gmx-users] Re: gromacs-4.0.5 parallel run in 8 cpu: slow speed   jimkress_58
• [gmx-users] Alternative TRP residue   abelius
  • [gmx-users] Alternative TRP residue   David van der Spoel
  • [gmx-users] Alternative TRP residue   Lucio Ricardo Montero Valenzuela
• [gmx-users] Re: Issues regarding exclusions and Charge group distribution   Manik Mayur
  • [gmx-users] Re: Issues regarding exclusions and Charge group distribution   Mark Abraham
    • [gmx-users] Re: Issues regarding exclusions and Charge group distribution   Manik Mayur
      • [gmx-users] Re: Issues regarding exclusions and Charge group distribution   Mark Abraham
• [gmx-users] Re: Alternative TRP residue   Gerrit Groenhof
  • [gmx-users] Re: Alternative TRP residue   abelius
    • [gmx-users] Re: Alternative TRP residue   Justin A. Lemkul
      • [gmx-users] Re: Alternative TRP residue   abelius
      • [gmx-users] Re: Alternative TRP residue   Justin A. Lemkul
      • [gmx-users] Re: Alternative TRP residue   abelius
      • [gmx-users] Re: Alternative TRP residue   Omer Markovitch
      • [gmx-users] PDB format (was Re: Alternative TRP residue)   Justin A. Lemkul
      • [gmx-users] Re: Alternative TRP residue   Justin A. Lemkul
• [gmx-users] Announcement: Structure-based model webtool for Gromacs   Paul Whitford
• Fwd: [its-cluster-admin] Fwd: [gmx-users] gmx_blast error when attempting to run in parallel   Sashank Karri
  • Fwd: [its-cluster-admin] Fwd: [gmx-users] gmx_blast error when attempting to run in parallel   Erik Marklund
    • Fwd: [its-cluster-admin] Fwd: [gmx-users] gmx_blast error when attempting to run in parallel   Justin A. Lemkul
      • Fwd: [its-cluster-admin] Fwd: [gmx-users] gmx_blast error when attempting to run in parallel   Erik Marklund
      • Fwd: [its-cluster-admin] Fwd: [gmx-users] gmx_blast error when attempting to run in parallel   Roland Schulz
• [gmx-users] gmxtest   Jones de Andrade
  • [gmx-users] gmxtest   Justin A. Lemkul
• [gmx-users] Form of 10-4 Wall Potential Function.   ttrudeau
  • [gmx-users] Form of 10-4 Wall Potential Function.   Berk Hess
• [gmx-users] fatal error when using Martini CG force field   lammps lammps
  • [gmx-users] Re: fatal error when using Martini CG force field   lammps lammps
    • [gmx-users] Re: fatal error when using Martini CG force field   Justin A. Lemkul
  • [gmx-users] fatal error when using Martini CG force field   XAvier Periole
• [gmx-users] Problem in Martini simulation with gromacs version 4.0.4 works fine with gromacs 3.3.1 error G96Angle of 2395 missing   lammps lammps
• [gmx-users] How can I create the OPLS-AA topology file for the liagnd   Ms. Aswathy S
  • [gmx-users] How can I create the OPLS-AA topology file for the liagnd   Mark Abraham
    • [gmx-users] How can I create the OPLS-AA topology file for the liagnd   David van der Spoel
• [gmx-users] ERROR: pressure coupling not enough values (I need 1)   Ms. Aswathy S
  • [gmx-users] ERROR: pressure coupling not enough values (I need 1)   Justin A. Lemkul
    • [gmx-users] ERROR: pressure coupling not enough values (I need 1)   Ms. Aswathy S
      • [gmx-users] ERROR: pressure coupling not enough values (I need 1)   Justin A. Lemkul
• [gmx-users] Question about applying a restriction on the movement of a molecule in z direction....   Alberto Sergio Garay
  • [gmx-users] Question about applying a restriction on the movement of a molecule in z direction....   Mark Abraham
• [gmx-users] Bug/typo in ffG53a5/ffG53a6.rtp   Justin A. Lemkul
  • [gmx-users] Bug/typo in ffG53a5/ffG53a6.rtp   Justin A. Lemkul
    • [gmx-users] Bug/typo in ffG53a5/ffG53a6.rtp   Berk Hess
• [gmx-users] ab initio parallel tempering   Anthony Costa
  • [gmx-users] ab initio parallel tempering   Mark Abraham
• [gmx-users] Error in hdb file ffG43a1.hdb   Ms. Aswathy S
  • [gmx-users] Error in hdb file ffG43a1.hdb   Ms. Aswathy S
• [gmx-users] problem in ngmx   Ms. Aswathy S
  • [gmx-users] problem in ngmx   Justin A. Lemkul
    • [gmx-users] problem in ngmx   Florian Dommert
      • [gmx-users] problem in ngmx   Manik Mayur
      • [gmx-users] problem in ngmx   Jussi Lehtola
      • [gmx-users] problem in ngmx   Ms. Aswathy S
      • [gmx-users] problem in ngmx   Justin A. Lemkul
• [gmx-users] prodrg 4.5beta generated topologies and exclusions   Dean Cuebas
  • [gmx-users] prodrg 4.5beta generated topologies and exclusions   Mark Abraham
• [gmx-users] problem in ngmx   Ms. Aswathy S
  • [gmx-users] problem in ngmx   Justin A. Lemkul
• [gmx-users] Electrostatic forces   Florian Dommert
  • [gmx-users] Electrostatic forces   Berk Hess
    • [gmx-users] Electrostatic forces   Florian Dommert
      • [gmx-users] Electrostatic forces   Mark Abraham
      • [gmx-users] Electrostatic forces   Florian Dommert
      • [gmx-users] Electrostatic forces   Mark Abraham
      • [gmx-users] Electrostatic forces   Florian Dommert
      • [gmx-users] Electrostatic forces   Mark Abraham
      • [gmx-users] Electrostatic forces   Berk Hess
      • [gmx-users] Electrostatic forces   Florian Dommert
      • [gmx-users] Electrostatic forces   Mark Abraham
      • [gmx-users] Electrostatic forces   Florian Dommert
• [gmx-users] Re: gmx-users Digest, Vol 62, Issue 68   Gerrit Groenhof
• [gmx-users] problem in ngmx   Ms. Aswathy S
  • [gmx-users] problem in ngmx   Justin A. Lemkul
• [gmx-users] Strange error in DNA simulations..   Bhanu
  • [gmx-users] Strange error in DNA simulations..   Mark Abraham
    • [gmx-users] Strange error in DNA simulations..   Bhanu
      • [gmx-users] Strange error in DNA simulations..   Mark Abraham
      • [gmx-users] Strange error in DNA simulations..   Bhanu
• [gmx-users] Simulation Temperature for GPCR in POPC bilayer   Anirban Ghosh
  • [gmx-users] Simulation Temperature for GPCR in POPC bilayer   Justin A. Lemkul
• [gmx-users] -ighn failing with ffamber   Alan
  • [gmx-users] -ighn failing with ffamber   Justin A. Lemkul
• [gmx-users] adding a negative two charged ion   CandyCandy
  • [gmx-users] adding a negative two charged ion   Justin A. Lemkul
• [gmx-users] help with the topology file   danilo gonzalez
  • [gmx-users] help with the topology file   Justin A. Lemkul
• [gmx-users] Re: -ighn failing with ffamber   Alan
  • [gmx-users] Re: -ighn failing with ffamber   Justin A. Lemkul
• [gmx-users] Making a .pdb file that actually works?   Joseph Johnson
  • [gmx-users] Making a .pdb file that actually works?   Justin A. Lemkul
• [gmx-users] Re: -ighn failing with ffamber   Alan
  • [gmx-users] Re: -ighn failing with ffamber   Justin A. Lemkul
  • [gmx-users] Re: -ighn failing with ffamber   Alan
• [gmx-users] B3LYP/6-31++G** GAMESS derived charges to replace PRODRG assigned ones   naimah haron naimah
  • [gmx-users] B3LYP/6-31++G** GAMESS derived charges to replace PRODRG assigned ones   Justin A. Lemkul
• [gmx-users] pdb does not work.   Joseph Johnson
  • [gmx-users] pdb does not work.   Dallas B. Warren
  • [gmx-users] pdb does not work.   Mark Abraham
• [gmx-users] replacing PRODRG charges with GAMESS charges   naimah haron naimah
  • [gmx-users] replacing PRODRG charges with GAMESS charges   Mark Abraham
• [gmx-users] problem in ngmx   Ms. Aswathy S
  • [gmx-users] problem in ngmx   Justin A. Lemkul
• [gmx-users] problem in ngmx   Ms. Aswathy S
  • [gmx-users] problem in ngmx   Justin A. Lemkul
• [gmx-users] local pressure calculation   anirban polley
  • [gmx-users] local pressure calculation   Mark Abraham
• [gmx-users] problem in ngmx   Ms. Aswathy S
  • [gmx-users] problem in ngmx   Justin A. Lemkul
• [gmx-users] problem in ngmx   Ms. Aswathy S
  • [gmx-users] problem in ngmx   Justin A. Lemkul
• [gmx-users] problem in dna-protein simulation   nitu sharma
  • [gmx-users] problem in dna-protein simulation   Justin A. Lemkul
    • [gmx-users] problem in dna-protein simulation   Bhanu
• [gmx-users] PBC   Andy Torres
  • [gmx-users] PBC   Justin A. Lemkul
    • [gmx-users] PBC   Omer Markovitch
• [gmx-users] MPI gromacs under cygwin   Dmitri Dubov
  • [gmx-users] MPI gromacs under cygwin   Mark Abraham
• [gmx-users] Merge + CHARMM?   Alessandro.Maiorana at roma2.infn.it
  • [gmx-users] Merge + CHARMM?   Justin A. Lemkul
• [gmx-users] How to add connectivity information in the trajectory file?   Liao Chuan
  • [gmx-users] How to add connectivity information in the trajectory file?   Mark Abraham
• [gmx-users] can someone generate a pdb file for me :)   Joseph Johnson
  • [gmx-users] can someone generate a pdb file for me :)   Justin A. Lemkul
• [gmx-users] mpi mdrun   jayant james
  • [gmx-users] mpi mdrun   Mark Abraham
    • [gmx-users] mpi mdrun   jayant james
      • [gmx-users] mpi mdrun   Mark Abraham
      • [gmx-users] mpi mdrun   jayant james
      • [gmx-users] mpi mdrun   Mark Abraham
      • [gmx-users] mpi mdrun   jayant james
      • [gmx-users] mpi mdrun   Jussi Lehtola
      • [gmx-users] mpi mdrun   Mark Abraham
      • [gmx-users] mpi mdrun   jayant james
      • [gmx-users] mpi mdrun   Justin A. Lemkul
• [gmx-users] Re:How to add connectivity information in the trajectoryfile?   Liao Chuan
• [gmx-users] Website Problem   darrellk at ece.ubc.ca
  • [gmx-users] Website Problem   Mark Abraham
• [gmx-users] problem in ngmx   Ms. Aswathy S
  • [gmx-users] problem in ngmx   Justin A. Lemkul
    • [gmx-users] problem in ngmx   Marc F. Lensink
      • [gmx-users] problem in ngmx   Justin A. Lemkul
• [gmx-users] Website Problem   darrellk at ece.ubc.ca
  • [gmx-users] Website Problem   Mark Abraham
• [gmx-users] protein in SDS/water   Anna Marabotti
  • [gmx-users] protein in SDS/water   Mark Abraham
• [gmx-users] programmes to have in double precision besides mdrun_d   Alan
  • [gmx-users] programmes to have in double precision besides mdrun_d   Justin A. Lemkul
    • [gmx-users] programmes to have in double precision besides mdrun_d   Berk Hess
      • [gmx-users] programmes to have in double precision besides mdrun_d   Jussi Lehtola
      • [gmx-users] programmes to have in double precision besides mdrun_d   Erik Marklund
      • [gmx-users] programmes to have in double precision besides mdrun_d   Berk Hess
• [gmx-users] regarding genhydro.c/pdb2gmx algorithm   prasun kumar
  • [gmx-users] regarding genhydro.c/pdb2gmx algorithm   Mark Abraham
• [gmx-users] Re: protein in SDS/water   Anna Marabotti
  • [gmx-users] Re: protein in SDS/water   Justin A. Lemkul
  • [gmx-users] Re: protein in SDS/water   Mark Abraham
  • [gmx-users] covalent bond lookup table   Stefano Meliga
    • [gmx-users] covalent bond lookup table   Mark Abraham
• [gmx-users] Re: protein in SDS/water   Thomas Schlesier
  • [gmx-users] Re: protein in SDS/water   Justin A. Lemkul
  • [gmx-users] Re: protein in SDS/water   Mark Abraham
• [gmx-users] problem in ngmx   Ms. Aswathy S
• [gmx-users] Re: protein in SDS/water   Anna Marabotti
  • [gmx-users] Re: protein in SDS/water   Justin A. Lemkul
• [gmx-users] RE: programmes to have in double precision besides mdrun_d   Alan
• [gmx-users] Re: Some questions about OPLS/Berger combination]   chris.neale at utoronto.ca
  • [gmx-users] Re: Some questions about OPLS/Berger combination]   Dorota Jamróz
• [gmx-users] Re: protein in SDS/water   Anna Marabotti
  • [gmx-users] Re: protein in SDS/water   Justin A. Lemkul
• [gmx-users] Free energy videos from EMBO course   Ragnarok sdf
• [gmx-users] Stop the simulation after a particular condition is fulfilled   animesh agarwal
  • [gmx-users] Stop the simulation after a particular condition is fulfilled   Mark Abraham
• [gmx-users] The Cut-off for coulombtype heat up the water system?   Yanmei Song
  • [gmx-users] The Cut-off for coulombtype heat up the water system?   Justin A. Lemkul
    • [gmx-users] The Cut-off for coulombtype heat up the water system?   Yanmei Song
      • [gmx-users] The Cut-off for coulombtype heat up the water system?   David van der Spoel
      • [gmx-users] The Cut-off for coulombtype heat up the water system?   Justin A. Lemkul
      • [gmx-users] The Cut-off for coulombtype heat up the water system?   Yanmei Song
• [gmx-users] x2top   danilo gonzalez
  • [gmx-users] x2top   David van der Spoel
• [gmx-users] pulling molecule insert into DPPC lipid bilayer   wara boon
  • [gmx-users] pulling molecule insert into DPPC lipid bilayer   Mark Abraham
• [gmx-users] error pull MD   wara boon
  • [gmx-users] error pull MD   Mark Abraham
• [gmx-users] How to obtain the .gro and .top files for dendrimers   wuxiao
  • [gmx-users] How to obtain the .gro and .top files for dendrimers   David van der Spoel
  • [gmx-users] How to obtain the .gro and .top files for dendrimers   Mark Abraham
• [gmx-users] Re: How to obtain the .gro and .top files for dendrimers   wuxiao
  • [gmx-users] Re: How to obtain the .gro and .top files for dendrimers   Mark Abraham
• [gmx-users] Parallel computation in Gromacs 3.2.1 Reg.   chandran karunakaran
  • [gmx-users] Parallel computation in Gromacs 3.2.1 Reg.   Mark Abraham
• [gmx-users] problem in grompp -broken charge   Samik Bhattacharya
  • [gmx-users] problem in grompp -broken charge   Mark Abraham
• [gmx-users] make install 'only suffix append binaries'   Alan
  • [gmx-users] make install 'only suffix append binaries'   Mark Abraham
• [gmx-users] Re: Re: protein in SDS/water   Anna Marabotti
  • [gmx-users] Re: Re: protein in SDS/water   Mark Abraham
• [gmx-users] make install 'only suffix append binaries'   Alan
• [gmx-users] g_order and the tpr file   Age.Skjevik at biomed.uib.no
  • [gmx-users] g_order and the tpr file   Justin A. Lemkul
• [gmx-users] Final Temp = 303 K ?   Chih-Ying Lin
  • [gmx-users] Final Temp = 303 K ?   Justin A. Lemkul
• [gmx-users] g_energy   Chih-Ying Lin
  • [gmx-users] g_energy   Justin A. Lemkul
• [gmx-users] more digits   Shuangxing Dai
  • [gmx-users] more digits   Mark Abraham
  • [gmx-users] more digits   David van der Spoel
• [gmx-users] Final Temp = 303 K ?   Chih-Ying Lin
  • [gmx-users] Final Temp = 303 K ?   Justin A. Lemkul
  • [gmx-users] Final Temp = 303 K ?   XAvier Periole
• [gmx-users] g_energy => both instantaneous and average   Chih-Ying Lin
• [gmx-users] coulombtype = Reaction-Field => heat up the system   Chih-Ying Lin
• [gmx-users] g_energy => RMSD = Standard Deviation?   Chih-Ying Lin
  • [gmx-users] g_energy => RMSD = Standard Deviation?   Justin A. Lemkul
    • [gmx-users] g_energy => RMSD = Standard Deviation?   Tsjerk Wassenaar
• [gmx-users] trjconv -pbc -center   Chih-Ying Lin
  • [gmx-users] trjconv -pbc -center   Justin A. Lemkul
    • [gmx-users] trjconv -pbc -center   Daniel Adriano Silva M
• [gmx-users] trjconv -pbc atom -center rect   Chih-Ying Lin
  • [gmx-users] trjconv -pbc atom -center rect   XAvier Periole
• [gmx-users] The Cut-off for coulombtype heat up the water system?   Chih-Ying Lin
  • [gmx-users] The Cut-off for coulombtype heat up the water system?   Mark Abraham
    • [gmx-users] The Cut-off for coulombtype heat up the water system?   Florian Dommert
      • [gmx-users] The Cut-off for coulombtype heat up the water system?   Florian Dommert
      • [gmx-users] The Cut-off for coulombtype heat up the water system?   XAvier Periole
      • [gmx-users] The Cut-off for coulombtype heat up the water system?   Florian Dommert
      • [gmx-users] The Cut-off for coulombtype heat up the water system?   Mark Abraham
      • [gmx-users] The Cut-off for coulombtype heat up the water system?   Florian Dommert
      • [gmx-users] The Cut-off for coulombtype heat up the water system?   Mark Abraham
      • [gmx-users] The Cut-off for coulombtype heat up the water system?   Florian Dommert
• [gmx-users] Re: x2top (David van der Spoel)   danilo gonzalez
  • [gmx-users] Re: x2top (David van der Spoel)   Mark Abraham
• [gmx-users] g_energy => RMSD vs Fluctuation   Chih-Ying Lin
• [gmx-users] What can I to do with the problem: lincs warning and water can not be settled?   xiao shijun
  • [gmx-users] What can I to do with the problem: lincs warning and water can not be settled?   Mark Abraham
• [gmx-users] problem after genion   Velia Minicozzi
• [gmx-users] [Fwd: problem after genion]   Velia Minicozzi
• [gmx-users] pullx.xvg   ilona.baldus at bioquant.uni-heidelberg.de
• [gmx-users] gromacs 4.0.4 and 4.0.5   mhviet at ifpan.edu.pl
• [gmx-users] Re: Some questions about OPLS/Berger combination   chris.neale at utoronto.ca
  • [gmx-users] Re: Some questions about OPLS/Berger combination   Dorota Jamróz
• [gmx-users] trjconv -pbc nojump -center rect => does not work   Chih-Ying Lin
  • [gmx-users] trjconv -pbc nojump -center rect => does not work   Justin A. Lemkul
• [gmx-users] g_energy => the reasonable range of RMSD or Fluctuation ?   Chih-Ying Lin
  • [gmx-users] g_energy => the reasonable range of RMSD or Fluctuation ?   Tsjerk Wassenaar
• [gmx-users] g_coord => command not found   Chih-Ying Lin
  • [gmx-users] g_coord => command not found   Justin A. Lemkul
• [gmx-users] g_coord => command not found   Justin A. Lemkul
• [gmx-users] g_coord => command not found   Justin A. Lemkul
• [gmx-users] bond constraint   noob noob
  • [gmx-users] bond constraint   Justin A. Lemkul
• [gmx-users] Having trouble getting gromacs installed.   Dave Hassan
  • [gmx-users] Having trouble getting gromacs installed.   Justin A. Lemkul
• [gmx-users] What is the important thing when we are watching the MD trajectory movie?   Chih-Ying Lin
  • [gmx-users] What is the important thing when we are watching the MD trajectory movie?   Mark Abraham
• [gmx-users] Simulation crashes (Gromacs 4.0.5)   Baudilio Tejerina
  • [gmx-users] Simulation crashes (Gromacs 4.0.5)   Mark Abraham
• [gmx-users] Coordinates change after minimization   Ms. Aswathy S
  • [gmx-users] Coordinates change after minimization   Justin A. Lemkul
    • [gmx-users] Coordinates change after minimization   David van der Spoel
• [gmx-users] Coordinates change after minimization   Ms. Aswathy S
  • [gmx-users] Coordinates change after minimization   XAvier Periole
• [gmx-users] Coordinates change after minimization   Ms. Aswathy S
  • [gmx-users] Coordinates change after minimization   Mark Abraham
  • [gmx-users] Coordinates change after minimization   XAvier Periole
• [gmx-users] non squares box   Omer Markovitch
  • [gmx-users] non squares box   Tsjerk Wassenaar
    • [gmx-users] non squares box   Omer Markovitch
      • [gmx-users] non squares box   Mark Abraham
      • [gmx-users] non squares box   Tsjerk Wassenaar
      • [gmx-users] non squares box   Omer Markovitch
      • [gmx-users] non squares box   David van der Spoel
• [gmx-users] Re: Request   Justin A. Lemkul
• [gmx-users] simulation of protein in presence of ATP   nikhil damle
  • [gmx-users] simulation of protein in presence of ATP   Mark Abraham
    • [gmx-users] simulation of protein in presence of ATP   nikhil damle
      • [gmx-users] simulation of protein in presence of ATP   Mark Abraham
      • [gmx-users] simulation of protein in presence of ATP   nikhil damle
      • [gmx-users] simulation of protein in presence of ATP   Mark Abraham
      • [gmx-users] simulation of protein in presence of ATP   nikhil damle
      • [gmx-users] simulation of protein in presence of ATP   Justin A. Lemkul
      • [gmx-users] simulation of protein in presence of ATP   nikhil damle
      • [gmx-users] simulation of protein in presence of ATP   Justin A. Lemkul
      • [gmx-users] simulation of protein in presence of ATP   Mark Abraham
      • [gmx-users] simulation of protein in presence of ATP   nikhil damle
      • [gmx-users] simulation of protein in presence of ATP   Justin A. Lemkul
      • [gmx-users] simulation of protein in presence of ATP   Lucio Montero
      • [gmx-users] simulation of protein in presence of ATP   nikhil damle
      • [gmx-users] Parameters for -Si-Si- chains?   Semen Esilevsky
      • [gmx-users] Parameters for -Si-Si- chains?   Tsjerk Wassenaar
      • [gmx-users] Parameters for -Si-Si- chains?   Semen Esilevsky
      • [gmx-users] Parameters for -Si-Si- chains?   Florian Dommert
  • [gmx-users] simulation of protein in presence of ATP   Lucio Ricardo Montero Valenzuela
• [gmx-users] about stretch protein using gromacs 4.0 umbrella options   mhviet at ifpan.edu.pl
• [gmx-users] How to extend correctly pulling simulation?   mhviet at ifpan.edu.pl
  • [gmx-users] How to extend correctly pulling simulation?   Berk Hess
• [gmx-users] problems with some calculated trajectories   Bernhard Knapp
  • [gmx-users] problems with some calculated trajectories   Erik Marklund
  • [gmx-users] problems with some calculated trajectories   Martin Höfling
    • [gmx-users] problems with some calculated trajectories   Martin Höfling
• [gmx-users] How to increase the number of parameters in dihedral angle potentials?   bhong at Princeton.EDU
  • [gmx-users] How to increase the number of parameters in dihedral angle potentials?   Mark Abraham
    • [gmx-users] How to increase the number of parameters in dihedral angle potentials?   Berk Hess
• [gmx-users] parallel computing   akalabya bissoyi
  • [gmx-users] parallel computing   Carsten Kutzner
• [gmx-users] -bash: /home_soft/soft_chem/soft_install/gromac/bin/GMXRC.bash: No such file or directory   Jinyao Wang
  • [gmx-users] -bash: /home_soft/soft_chem/soft_install/gromac/bin/GMXRC.bash: No such file or directory   Justin A. Lemkul
  • [gmx-users] -bash: /home_soft/soft_chem/soft_install/gromac/bin/GMXRC.bash: No such file or directory   Mark Abraham
• [gmx-users] GROMACS file formats   Santanu Ch
  • [gmx-users] GROMACS file formats   Mark Abraham
    • [gmx-users] GROMACS file formats   David van der Spoel
• [gmx-users] How to freeze the atoms?   toby10222224 at sina.com
  • [gmx-users] How to freeze the atoms?   Mark Abraham
• [gmx-users] Problem in energy minimization for a empty membrane system   Bing Bing
  • [gmx-users] Problem in energy minimization for a empty membrane system   Justin A. Lemkul
    • [gmx-users] Problem in energy minimization for a empty membrane system   Bing Bing
      • [gmx-users] Problem in energy minimization for a empty membrane system   Justin A. Lemkul
      • [gmx-users] Problem in energy minimization for a empty membrane system   Bing Bing
      • [gmx-users] Problem in energy minimization for a empty membrane system   Justin A. Lemkul
      • [gmx-users] Problem in energy minimization for a empty membrane system   Bing Bing
      • [gmx-users] Problem in energy minimization for a empty membrane system   Mark Abraham
      • [gmx-users] Problem in energy minimization for a empty membrane system   Justin A. Lemkul
• [gmx-users] Re: How to freeze the atoms?   Vitaly V. Chaban
• [gmx-users] pullx.xvg Meaning of output?   ilona.baldus at bioquant.uni-heidelberg.de
  • [gmx-users] pullx.xvg Meaning of output?   Berk Hess
    • [gmx-users] pullx.xvg Meaning of output?   ilona.baldus at bioquant.uni-heidelberg.de
      • [gmx-users] pullx.xvg Meaning of output?   Berk Hess
• [gmx-users] genbox error at futil.c   iulek
  • [gmx-users] genbox error at futil.c   Justin A. Lemkul
    • [gmx-users] genbox error at futil.c   iulek
      • [gmx-users] genbox error at futil.c   Justin A. Lemkul
• [gmx-users] parallel processing using LAN   akalabya bissoyi
  • [gmx-users] parallel processing using LAN   Mark Abraham
• [gmx-users] impose a external magnetic field   风 大
  • [gmx-users] impose a external magnetic field   David van der Spoel
• [gmx-users] mdrun -c option "did not work"   Jérôme Baffreau
  • [gmx-users] mdrun -c option "did not work"   David van der Spoel
    • [gmx-users] mdrun -c option "did not work"   Jérôme Baffreau
      • [gmx-users] mdrun -c option "did not work"   Mark Abraham
      • [gmx-users] mdrun -c option "did not work"   Jérôme Baffreau
      • [gmx-users] mdrun -c option "did not work"   Justin A. Lemkul
      • [gmx-users] mdrun -c option "did not work"   Mark Abraham
• [gmx-users] WARNING: negative index -1 in group System   Christopher Rowan
  • [gmx-users] Re: WARNING: negative index -1 in group System   Christopher Rowan
  • [gmx-users] WARNING: negative index -1 in group System   Justin A. Lemkul
• Re: 回复：[gmx-users] Re: How to freeze the atoms?   Vitaly V. Chaban
• [gmx-users] dmso topology   Markus Tusch
• Re: 回复：Re: 回复：[gmx-users] Re: How to freeze the atoms?   Vitaly V. Chaban
• [gmx-users] Re: dmso topology   Vitaly V. Chaban
• [gmx-users] Small organic molecules   Stefan Frieder Hopp
  • [gmx-users] Small organic molecules   Justin A. Lemkul
• [gmx-users] disable ulimit   Gustavo Fioravanti
  • [gmx-users] disable ulimit   Ansgar Esztermann
• [gmx-users] WARNING: negative index -1 in group System   Christopher Rowan
  • [gmx-users] WARNING: negative index -1 in group System   Justin A. Lemkul
• [gmx-users] Installation problem:fftw3f lib. not found.   Shobhit Kudesia
  • [gmx-users] Installation problem:fftw3f lib. not found.   Florian Dommert
• [gmx-users] handling particle decomposition with distance restraints   jayant james
  • [gmx-users] handling particle decomposition with distance restraints   Justin A. Lemkul
    • [gmx-users] handling particle decomposition with distance restraints   jayant james
      • [gmx-users] handling particle decomposition with distance restraints   Justin A. Lemkul
      • [gmx-users] handling particle decomposition with distance restraints   jayant james
      • [gmx-users] handling particle decomposition with distance restraints   Justin A. Lemkul
      • [gmx-users] handling particle decomposition with distance restraints   jayant james
• [gmx-users] About charge group   wuxiao
  • [gmx-users] About charge group   Justin A. Lemkul
  • [gmx-users] About charge group   Mark Abraham
• [gmx-users] About charge group(Mark)   wuxiao
  • [gmx-users] About charge group(Mark)   Mark Abraham
• [gmx-users] Force field problems   Michael McGovern
  • [gmx-users] Force field problems   Mark Abraham
• [gmx-users] About charge group(Mark)   wuxiao
• [gmx-users] Problem wih Fe-S cluster   subarna thakur
  • [gmx-users] Problem wih Fe-S cluster   Tsjerk Wassenaar
• [gmx-users] Can N(CH2)3 be set a charge group?   wuxiao
  • [gmx-users] Can N(CH2)3 be set a charge group?   Berk Hess
• [gmx-users] Re: Re: problems with some calculated trajectories   Bernhard Knapp
  • [gmx-users] Re: Re: problems with some calculated trajectories   Tsjerk Wassenaar
  • [gmx-users] Re: Re: problems with some calculated trajectories   Mark Abraham
    • [gmx-users] Re: Re: problems with some calculated trajectories   Berk Hess
• [gmx-users] Problem in energy minimization for a empty membrane system   Bing Bing
  • [gmx-users] Problem in energy minimization for a empty membrane system   Mark Abraham
• [gmx-users] Re: Re: Re: Re: problems with some calculated trajectories   Bernhard Knapp
  • [gmx-users] Re: Re: Re: Re: problems with some calculated trajectories   Erik Marklund
• [gmx-users] pullx.xvg Meaning of output?   ilona.baldus at bioquant.uni-heidelberg.de
  • [gmx-users] pullx.xvg Meaning of output?   Berk Hess
• [gmx-users] angle   Morteza Khabiri
  • [gmx-users] angle   Mark Abraham
• [gmx-users] use of LAN for parallel processing   akalabya bissoyi
  • [gmx-users] use of LAN for parallel processing   Mark Abraham
    • [gmx-users] use of LAN for parallel processing   Alexandre Suman de Araujo
      • [gmx-users] use of LAN for parallel processing   Mark Abraham
• [gmx-users] Re: How to freeze the atoms?   Vitaly V. Chaban
• [gmx-users] angle   Morteza Khabiri
• [gmx-users] handling particle decomposition with distance restraints   chris.neale at utoronto.ca
• [gmx-users] handling particle decomposition with distance restraints   Chris Neale
• [gmx-users] handling particle decomposition with distance restraints   Chris Neale
• [gmx-users] grommp errors   wuxiao
  • [gmx-users] grommp errors   Justin A. Lemkul
• [gmx-users] g_dist: Indexfile seem to be NOT optional   Christian Seifert
• [gmx-users] Ligand & Receptor   Jack Shultz
  • [gmx-users] Ligand & Receptor   Justin A. Lemkul
• [gmx-users] Re: Ligand & Receptor   Alan
  • [gmx-users] Re: Ligand & Receptor   Jack Shultz
• [gmx-users] file conversion from Amber to GROMACS for protein-ligand complexes   Andrew Voronkov
• [gmx-users] 45a4 force field files to nucleic acids simulations   Guilherme Menegon Giesel
  • [gmx-users] 45a4 force field files to nucleic acids simulations   Tsjerk Wassenaar
    • [gmx-users] 45a4 force field files to nucleic acids simulations   Guilherme Menegon Giesel
• [gmx-users] pdb2gmx fatal error   Dave Hassan
  • [gmx-users] pdb2gmx fatal error   Justin A. Lemkul
• [gmx-users] C6 constant units   Vitaly V. Chaban
  • [gmx-users] C6 constant units   Florian Dommert
• [gmx-users] Dihedral functions   AverettDevin
  • [gmx-users] Dihedral functions   Kukol, Andreas
• [gmx-users] how to search in the new GROMACS website ?   LeeHwan-kyu
  • [gmx-users] how to search in the new GROMACS website ?   Justin A. Lemkul
• [gmx-users] install DSSP ???   Chih-Ying Lin
• [gmx-users] Install DSSP=> cannot execute binary file ???   Chih-Ying Lin
• [gmx-users] force   Shuangxing Dai
  • [gmx-users] force   Florian Dommert
    • [gmx-users] force   Shuangxing Dai
      • [gmx-users] force   Florian Dommert
      • [gmx-users] force   Shuangxing Dai
      • [gmx-users] force   Florian Dommert
      • [gmx-users] force   Shuangxing Dai
• [gmx-users] Input output file error   s lal badshah
  • [gmx-users] Input output file error   David van der Spoel
• [gmx-users] What much time does DSSP need to analyze lysozyme?   Chih-Ying Lin
  • [gmx-users] What much time does DSSP need to analyze lysozyme?   Mark Abraham
• [gmx-users] How much does DSSP need to analyze lysozyme? => more than one hour   Chih-Ying Lin
  • [gmx-users] DSSP hangs for days   sharada
    • [gmx-users] DSSP hangs for days   Mark Abraham
    • [gmx-users] DSSP hangs for days   Carsten Kutzner
      • [gmx-users] DSSP hangs for days   sharada
      • [gmx-users] DSSP hangs for days   Carsten Kutzner
  • [gmx-users] How much does DSSP need to analyze lysozyme? => more than one hour   Justin A. Lemkul
• [gmx-users] Lipid bilayer moved apart   Bing Bing
  • [gmx-users] Lipid bilayer moved apart   shayamra at post.tau.ac.il
    • [gmx-users] Lipid bilayer moved apart   Bing Bing
      • [gmx-users] Lipid bilayer moved apart   Justin A. Lemkul
• [gmx-users] stopping and restarting a simulations after adding more constraints   jayant james
  • [gmx-users] stopping and restarting a simulations after adding more constraints   Tsjerk Wassenaar
• [gmx-users] How can i make the DSSP picture like picture 8.10 in the Maunual ?   Chih-Ying Lin
  • [gmx-users] How can i make the DSSP picture like picture 8.10 in the Maunual ?   Justin A. Lemkul
• [gmx-users] Non-bonded Copper   Matthew Roode
  • [gmx-users] Non-bonded Copper   Mark Abraham
    • [gmx-users] Non-bonded Copper   Tsjerk Wassenaar
• [gmx-users] 4.0.5 Installation error   Manik Mayur
  • [gmx-users] Re: 4.0.5 Installation error   Manik Mayur
  • [gmx-users] 4.0.5 Installation error   Mark Abraham
    • [gmx-users] 4.0.5 Installation error   Manik Mayur
• [gmx-users] problem of getting with Dssp   subarna thakur
  • [gmx-users] problem of getting with Dssp   Volker Wirth
• [gmx-users] SD temperature coupling groups   Inon Sharony
• [gmx-users] protonation state with pdb2gmx   Yamin, Peyman
  • [gmx-users] protonation state with pdb2gmx   Justin A. Lemkul
    • AW: [gmx-users] protonation state with pdb2gmx   Yamin, Peyman
      • AW: [gmx-users] protonation state with pdb2gmx   Justin A. Lemkul
• [gmx-users] Artificial Shear Flow and Inconsistent Shift Error   He, Yang
• [gmx-users] Making sure I understand an error   Michael Lerner
  • [gmx-users] Making sure I understand an error   XAvier Periole
• [gmx-users] What method (algorimth) is used to calculate volume of a protein?   mhviet at ifpan.edu.pl
• [gmx-users] Conversion of units to nm in .xyz or pdb   Jennifer Williams
  • [gmx-users] Conversion of units to nm in .xyz or pdb   Justin A. Lemkul
• [gmx-users] Installation with non standard location of fftw3   Graham Kettlewell
  • [gmx-users] Installation with non standard location of fftw3   Justin A. Lemkul
    • [gmx-users] Installation with non standard location of fftw3   Justin A. Lemkul
      • [gmx-users] Installation with non standard location of fftw3   Graham Kettlewell
      • [gmx-users] Installation with non standard location of fftw3   Justin A. Lemkul
      • [gmx-users] Installation with non standard location of fftw3   Graham Kettlewell
      • [gmx-users] Installation with non standard location of fftw3   Justin A. Lemkul
• [gmx-users] the warning about the -rerun   Jinyao Wang
  • [gmx-users] the warning about the -rerun   XAvier Periole
• [gmx-users] parameters of Fe-S cluster   subarna thakur
• [gmx-users] error   P.R.Anand Narayanan
  • [gmx-users] error   Justin A. Lemkul
• [gmx-users] Can the Ifdef option be used in the rtp file?   wuxiao
  • [gmx-users] Can the Ifdef option be used in the rtp file?   David van der Spoel
• [gmx-users] g_potential calculation method   Negar Ashari Astani
• [gmx-users] Installation with non standard location of fftw3   Justin A. Lemkul
• [gmx-users] Re: SD temperature coupling groups   A.Rzepiela
• [gmx-users] merge two PDBs   Peyman Yamin
  • [gmx-users] merge two PDBs   Justin A. Lemkul
  • [gmx-users] merge two PDBs   Erik Marklund
• [gmx-users] few doubts regarding 1-4 interaction   Ms. Aswathy S
  • [gmx-users] few doubts regarding 1-4 interaction   Justin A. Lemkul
• [gmx-users] Chlorophyll force field parameters   Julien Maupetit
  • [gmx-users] Chlorophyll force field parameters   XAvier Periole
• [gmx-users] Table Functions   Devin Averett
• [gmx-users] Charge pertubation   Jessé Nóbrega
• [gmx-users] g_tune_pme in Ranger   Patricia Soto
• [gmx-users] Re: gmx-users Digest, Vol 62, Issue 158   Vitaly V. Chaban

Last message date: Tue Jun 30 22:18:56 CEST 2009
Archived on: Thu Nov 14 12:06:57 CET 2013

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