June 2013 Archives by thread

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Starting: Sat Jun 1 00:02:07 CEST 2013
Ending: Sun Jun 30 18:11:13 CEST 2013
Messages: 765

• [gmx-users] Domain Decomposition Error   Mark Abraham
• [gmx-users] OPLSAA.ff   Hari Pandey
  • [gmx-users] OPLSAA.ff   Broadbent, Richard
    • [gmx-users] OPLSAA.ff   Mark Abraham
• [gmx-users] Viscosity   Marcelo Vanean
  • [gmx-users] Viscosity   David van der Spoel
• [gmx-users] Re: Nose-Hover chains for membrane protein simulation   James Starlight
  • [gmx-users] Re: Nose-Hover chains for membrane protein simulation   Michael Shirts
    • [gmx-users] Re: Nose-Hover chains for membrane protein simulation   James Starlight
      • [gmx-users] Re: Nose-Hover chains for membrane protein simulation   Michael Shirts
• [gmx-users] cation-pi interaction   larif sofiene
  • [gmx-users] cation-pi interaction   Dr. Vitaly Chaban
    • [gmx-users] cation-pi interaction   Mark Abraham
• [gmx-users] Vritual Sites and simulation time-step   Mark Abraham
• [gmx-users] Vritual Sites and simulation time-step   Mark Abraham
• [gmx-users] Vritual Sites and simulation time-step   Mark Abraham
  • [gmx-users] Vritual Sites and simulation time-step   James Starlight
    • [gmx-users] Vritual Sites and simulation time-step   James Starlight
      • [gmx-users] Vritual Sites and simulation time-step   Mark Abraham
      • [gmx-users] Vritual Sites and simulation time-step   James Starlight
      • [gmx-users] Vritual Sites and simulation time-step   Erik Marklund
• [gmx-users] nvt T coupling group problem   neshat haq
  • [gmx-users] nvt T coupling group problem   rajat desikan
• [gmx-users] Re: umbrella sampling for two polymer interaction   gromacs query
• [gmx-users] About Checkpoint error in gromacs 4.6   vidhya sankar
  • [gmx-users] About Checkpoint error in gromacs 4.6   Erik Marklund
• [gmx-users] (no subject)   Marcelo Vanean
  • [gmx-users] viscosity   David van der Spoel
• [gmx-users] About Checkpoint error in gromacs 4.6   vidhya sankar
  • [gmx-users] About Checkpoint error in gromacs 4.6   Justin Lemkul
• [gmx-users] OPLS-AA to CHARMM conversion in gromacs ffnonbonded.itp   Justin Lemkul
• [gmx-users] About Checkpoint error in gromacs 4.6   vidhya sankar
  • [gmx-users] About Checkpoint error in gromacs 4.6   Mark Abraham
• [gmx-users] viscosity   Marcelo Vanean
  • [gmx-users] viscosity   David van der Spoel
• [gmx-users] water position restraints   Shima Arasteh
  • [gmx-users] water position restraints   Mark Abraham
    • [gmx-users] water position restraints   Shima Arasteh
      • [gmx-users] water position restraints   Justin Lemkul
• [gmx-users] structure alignement :g_rmsdist   Nawel Mele
  • [gmx-users] structure alignement :g_rmsdist   Mark Abraham
    • [gmx-users] structure alignement :g_rmsdist   Nawel Mele
      • [gmx-users] structure alignement :g_rmsdist   Tsjerk Wassenaar
      • [gmx-users] structure alignement :g_rmsdist   Nawel Mele
      • [gmx-users] structure alignement :g_rmsdist   Tsjerk Wassenaar
      • [gmx-users] structure alignement :g_rmsdist   Nawel Mele
• [gmx-users] Compilation error   vidhya sankar
  • [gmx-users] Compilation error   Justin Lemkul
• [gmx-users] double sum over neighbor list   Sikandar Mashayak
• [gmx-users] cation-pi interaction   Christopher Neale
• [gmx-users] Pressure coupling   Marcelo Vanean
  • [gmx-users] Pressure coupling   Mark Abraham
• [gmx-users] fattyn acid parameter in OPLSAA forcefield   fatemeh ramezani
  • [gmx-users] fattyn acid parameter in OPLSAA forcefield   Mark Abraham
• Aw: [gmx-users] Nose-Hover chains for membrane protein simulation   lloyd riggs
• [gmx-users] About the binary identical results by restarting from the checkpoint file   Cuiying Jian
  • [gmx-users] About the binary identical results by restarting from the checkpoint file   Mark Abraham
• [gmx-users] Removing Water from Final Simulation   Parker de Waal
  • [gmx-users] Removing Water from Final Simulation   Dallas Warren
    • [gmx-users] Removing Water from Final Simulation   Parker de Waal
      • [gmx-users] Removing Water from Final Simulation   Dallas Warren
      • [gmx-users] Removing Water from Final Simulation   Reid Van Lehn
    • [gmx-users] Removing Water from Final Simulation   Mark Abraham
• [gmx-users] Re: umbrella sampling for two polymer interaction   Thomas Schlesier
• [gmx-users] gmx 4.6.2 segementation fault (core dump)   Johannes Wagner
  • [gmx-users] gmx 4.6.2 segementation fault (core dump)   Szilárd Páll
    • [gmx-users] gmx 4.6.2 segementation fault (core dump)   Johannes Wagner
      • [gmx-users] gmx 4.6.2 segementation fault (core dump)   Szilárd Páll
• [gmx-users] How to compile/run Gromacs on native Infiniband?   Bert
  • [gmx-users] How to compile/run Gromacs on native Infiniband?   Szilárd Páll
• [gmx-users] CG angle distribution   Steven Neumann
  • [gmx-users] CG angle distribution   Djurre de Jong-Bruinink
• [gmx-users] frame   maggin
  • [gmx-users] frame   Johannes Wagner
    • [gmx-users] Re: frame   maggin
      • [gmx-users] Re: frame   Mark Abraham
      • [gmx-users] Re: frame   Johannes Wagner
      • [gmx-users] Re: frame   maggin
• [gmx-users] using previous window restart file   gromacs query
  • [gmx-users] Re: using previous window restart file   gromacs query
    • [gmx-users] Re: using previous window restart file   Justin Lemkul
• [gmx-users] Re: gmx 4.6 mpi installation through openmpi?   escajarro
  • [gmx-users] Re: gmx 4.6 mpi installation through openmpi?   Mark Abraham
  • [gmx-users] Re: gmx 4.6 mpi installation through openmpi?   escajarro
    • [gmx-users] Re: gmx 4.6 mpi installation through openmpi?   Mark Abraham
• [gmx-users] Setting total simulation time   Parker de Waal
  • [gmx-users] Setting total simulation time   Mark Abraham
    • [gmx-users] Setting total simulation time   Parker de Waal
      • [gmx-users] Setting total simulation time   Justin Lemkul
• [gmx-users] frame in VMD   maggin
  • [gmx-users] frame in VMD   Mark Abraham
• [gmx-users] Creating a monolayer from Martini bilayer   Neha
  • [gmx-users] Creating a monolayer from Martini bilayer   Gunther Lukat
    • [gmx-users] Creating a monolayer from Martini bilayer   Tsjerk Wassenaar
      • [gmx-users] Re: Creating a monolayer from Martini bilayer   Neha
      • [gmx-users] Re: Creating a monolayer from Martini bilayer   Tsjerk Wassenaar
      • [gmx-users] Re: Creating a monolayer from Martini bilayer   Neha
      • [gmx-users] Re: Creating a monolayer from Martini bilayer   Tsjerk Wassenaar
  • [gmx-users] Creating a monolayer from Martini bilayer   Mirco Wahab
• [gmx-users] RE: About the binary identical results by restarting from the checkpoint file   Cuiying Jian
  • [gmx-users] RE: About the binary identical results by restarting from the checkpoint file   Mark Abraham
  • [gmx-users] RE: About the binary identical results by restarting from the checkpoint file   Cuiying Jian
    • [gmx-users] RE: About the binary identical results by restarting from the checkpoint file   Mark Abraham
• [gmx-users] Re: Have your ever got a real NVE simulation (good energy conservation) in gromacs?   cyberjhon
• [gmx-users] Specific question regarding SPC water model   tnorgd
  • [gmx-users] Specific question regarding SPC water model   Justin Lemkul
    • [gmx-users] Re: Specific question regarding SPC water model   Someone Else
      • [gmx-users] Re: Specific question regarding SPC water model   Justin Lemkul
• [gmx-users] eletrical filed issue   Tong Li
• [gmx-users] About low PH simulation of DPPC liposomes   cyberjhon
• [gmx-users] assembling trajectory files   Souilem Safa
  • [gmx-users] assembling trajectory files   Justin Lemkul
    • [gmx-users] assembling trajectory files   Souilem Safa
• [gmx-users] About Concatenation of several trajectory files   vidhya sankar
  • [gmx-users] About Concatenation of several trajectory files   Justin Lemkul
• [gmx-users] GPU problem   Albert
  • [gmx-users] GPU problem   Chandan Choudhury
    • [gmx-users] GPU problem   Albert
    • [gmx-users] GPU problem   Szilárd Páll
      • [gmx-users] GPU problem   lloyd riggs
      • [gmx-users] GPU problem   Justin Lemkul
      • Aw: Re: [gmx-users] GPU problem   lloyd riggs
• [gmx-users] problem using g_lie   khushboo bafna
  • [gmx-users] problem using g_lie   Justin Lemkul
• [gmx-users] About Physaica Parameter   vidhya sankar
  • [gmx-users] About Physaica Parameter   Justin Lemkul
• [gmx-users] REMD run showing temperature range more than the equilibrated.   suhani nagpal
  • [gmx-users] REMD run showing temperature range more than the equilibrated.   Mark Abraham
• [gmx-users] High Initial generated Temp   tarak karmakar
  • [gmx-users] High Initial generated Temp   Justin Lemkul
    • [gmx-users] High Initial generated Temp   tarak karmakar
      • [gmx-users] High Initial generated Temp   tarak karmakar
      • [gmx-users] High Initial generated Temp   Justin Lemkul
      • [gmx-users] High Initial generated Temp   tarak karmakar
      • [gmx-users] High Initial generated Temp   Justin Lemkul
      • [gmx-users] High Initial generated Temp   tarak karmakar
      • [gmx-users] High Initial generated Temp   Mark Abraham
• [gmx-users] About Physical parameters   vidhya sankar
  • [gmx-users] About Physical parameters   Justin Lemkul
• [gmx-users] Can we connect two boxes together for the simulation?   Bao Kai
  • [gmx-users] Can we connect two boxes together for the simulation?   Dr. Vitaly Chaban
  • [gmx-users] Can we connect two boxes together for the simulation?   Justin Lemkul
• [gmx-users] Running gmx-4.6.x over multiple homogeneous nodes with GPU acceleration   João Henriques
  • [gmx-users] Running gmx-4.6.x over multiple homogeneous nodes with GPU acceleration   Mark Abraham
  • [gmx-users] Running gmx-4.6.x over multiple homogeneous nodes with GPU acceleration   Szilárd Páll
    • [gmx-users] Running gmx-4.6.x over multiple homogeneous nodes with GPU acceleration   João Henriques
    • [gmx-users] Running gmx-4.6.x over multiple homogeneous nodes with GPU acceleration   João Henriques
      • [gmx-users] Running gmx-4.6.x over multiple homogeneous nodes with GPU acceleration   Mark Abraham
      • [gmx-users] Running gmx-4.6.x over multiple homogeneous nodes with GPU acceleration   João Henriques
      • [gmx-users] Running gmx-4.6.x over multiple homogeneous nodes with GPU acceleration   João Henriques
      • [gmx-users] Running gmx-4.6.x over multiple homogeneous nodes with GPU acceleration   Szilárd Páll
• [gmx-users] Performance of Gromacs-4.6.1 on BlueGene/Q   Jianguo Li
  • [gmx-users] Performance of Gromacs-4.6.1 on BlueGene/Q   XAvier Periole
    • [gmx-users] Performance of Gromacs-4.6.1 on BlueGene/Q   Mark Abraham
      • [gmx-users] Performance of Gromacs-4.6.1 on BlueGene/Q   Jianguo Li
      • [gmx-users] Performance of Gromacs-4.6.1 on BlueGene/Q   Mark Abraham
      • [gmx-users] Performance of Gromacs-4.6.1 on BlueGene/Q   Mark Abraham
    • [gmx-users] Performance of Gromacs-4.6.1 on BlueGene/Q   Jianguo Li
• [gmx-users] how to add sodium acetate   maggin
  • [gmx-users] how to add sodium acetate   Justin Lemkul
    • [gmx-users] Re: how to add sodium acetate   maggin
• [gmx-users] Can we connect two boxes together for the simulation?   Bao Kai
  • [gmx-users] Can we connect two boxes together for the simulation?   Justin Lemkul
  • [gmx-users] Can we connect two boxes together for the simulation?   Dr. Vitaly Chaban
• [gmx-users] About coulmb & Vanderrwalls cutoff   vidhya sankar
  • [gmx-users] About coulmb & Vanderrwalls cutoff   Justin Lemkul
• [gmx-users] pullx file content with pull_geometry = position   Bastien Loubet
  • [gmx-users] Re: pullx file content with pull_geometry = position   Bastien Loubet
    • [gmx-users] Re: pullx file content with pull_geometry = position   Justin Lemkul
• [gmx-users] ngmx not installed in gmx4.6.1   Chandan Choudhury
  • [gmx-users] ngmx not installed in gmx4.6.1   David van der Spoel
  • [gmx-users] ngmx not installed in gmx4.6.1   Mark Abraham
  • [gmx-users] ngmx not installed in gmx4.6.1   Dr. Vitaly Chaban
    • [gmx-users] ngmx not installed in gmx4.6.1   Chandan Choudhury
• [gmx-users] pdb2gmx   Valentina Erastova
  • [gmx-users] Re: pdb2gmx   cyberjhon
  • [gmx-users] pdb2gmx   Justin Lemkul
• [gmx-users] problems with GROMACS 4.6.2   Mark Abraham
  • [gmx-users] problems with GROMACS 4.6.2   Szilárd Páll
• [gmx-users] Re: oxidized lipid - Peroxidated lipid   dariush
  • [gmx-users] Re: oxidized lipid - Peroxidated lipid   Justin Lemkul
• [gmx-users] About coulmb & Vanderrwalls cutoff   vidhya sankar
  • [gmx-users] About coulmb & Vanderrwalls cutoff   Justin Lemkul
• [gmx-users] About coulmb & Vanderrwalls cutoff   vidhya sankar
  • [gmx-users] About coulmb & Vanderrwalls cutoff   Justin Lemkul
• [gmx-users] Difference between the electrostatic treatments PME/Cut-offs and Reaction Field   Dallas Warren
  • [gmx-users] Difference between the electrostatic treatments PME/Cut-offs and Reaction Field   Michael Shirts
• [gmx-users] restraints on water oxygen atoms   Shima Arasteh
  • [gmx-users] restraints on water oxygen atoms   Justin Lemkul
    • [gmx-users] restraints on water oxygen atoms   Shima Arasteh
      • [gmx-users] restraints on water oxygen atoms   Justin Lemkul
      • [gmx-users] restraints on water oxygen atoms   Shima Arasteh
      • [gmx-users] restraints on water oxygen atoms   Justin Lemkul
      • [gmx-users] restraints on water oxygen atoms   Shima Arasteh
      • [gmx-users] restraints on water oxygen atoms   Justin Lemkul
      • [gmx-users] restraints on water oxygen atoms   Shima Arasteh
      • [gmx-users] restraints on water oxygen atoms   Justin Lemkul
      • [gmx-users] restraints on water oxygen atoms   Shima Arasteh
    • [gmx-users] Re: restraints on water oxygen atoms   JW Gibbs
      • [gmx-users] Re: restraints on water oxygen atoms   Justin Lemkul
• [gmx-users] Help with modified gmx_covar   rohitarora
  • [gmx-users] Help with modified gmx_covar   Mark Abraham
• [gmx-users] Case sensitivity in atomtypes   Baptiste Demoulin
  • [gmx-users] Case sensitivity in atomtypes   Mark Abraham
    • [gmx-users] Case sensitivity in atomtypes   Alan
      • [gmx-users] Case sensitivity in atomtypes   Baptiste Demoulin
• [gmx-users] Quartic angle potential - how to use?   Steven Neumann
  • [gmx-users] Quartic angle potential - how to use?   Justin Lemkul
    • [gmx-users] Quartic angle potential - how to use?   Steven Neumann
      • [gmx-users] Quartic angle potential - how to use?   Justin Lemkul
      • [gmx-users] Quartic angle potential - how to use?   Steven Neumann
      • [gmx-users] Quartic angle potential - how to use?   Justin Lemkul
      • [gmx-users] Quartic angle potential - how to use?   Mark Abraham
      • [gmx-users] Quartic angle potential - how to use?   Steven Neumann
      • [gmx-users] Quartic angle potential - how to use?   Steven Neumann
      • [gmx-users] Quartic angle potential - how to use?   Mark Abraham
      • [gmx-users] Quartic angle potential - how to use?   Steven Neumann
      • [gmx-users] Quartic angle potential - how to use?   Mark Abraham
      • [gmx-users] Quartic angle potential - how to use?   Mark Abraham
• [gmx-users] Unknown bond_atomtype C2   Nilesh Dhumal
• [gmx-users] diherdal psi vs angle teta plot   Steven Neumann
  • [gmx-users] diherdal psi vs angle teta plot   Justin Lemkul
• [gmx-users] Snapshot and co-ordinate query   Ankita naithani
  • [gmx-users] Snapshot and co-ordinate query   Justin Lemkul
    • [gmx-users] Snapshot and co-ordinate query   Ankita naithani
• [gmx-users] (no subject)   Saeid Akbarshahi
• [gmx-users] velocity-verlet giving nans   Sikandar Mashayak
  • [gmx-users] velocity-verlet giving nans   Mark Abraham
• [gmx-users] Segmentation fault (core dumped)   Ishwor Poudyal
  • [gmx-users] Segmentation fault (core dumped)   Justin Lemkul
• [gmx-users] Projection of crystal structure on PCA plot   Anirban
  • [gmx-users] Projection of crystal structure on PCA plot   Tsjerk Wassenaar
    • [gmx-users] Projection of crystal structure on PCA plot   Anirban
      • [gmx-users] Projection of crystal structure on PCA plot   Tsjerk Wassenaar
      • [gmx-users] Projection of crystal structure on PCA plot   Anirban
• [gmx-users] Is non-linear data output/storage possible?   Neha
  • [gmx-users] Is non-linear data output/storage possible?   Dallas Warren
    • [gmx-users] Is non-linear data output/storage possible?   Mark Abraham
• [gmx-users] cg Fatal error--DD cell   maggin
  • [gmx-users] Re: cg Fatal error--DD cell   maggin
• [gmx-users] No default Ryckaert-Bell. types   Nilesh Dhumal
  • [gmx-users] No default Ryckaert-Bell. types   Justin Lemkul
    • [gmx-users] No default Ryckaert-Bell. types   Nilesh Dhumal
      • [gmx-users] No default Ryckaert-Bell. types   Justin Lemkul
• [gmx-users] Eigenvector and eigenvalues   Ankita naithani
  • [gmx-users] Eigenvector and eigenvalues   Tsjerk Wassenaar
• [gmx-users] Getting .edr file data as a generic data file   Neha
  • [gmx-users] Getting .edr file data as a generic data file   Mark Abraham
• [gmx-users] mdrun segmentation fault for new build of gromacs 4.6.1   Amil G. Anderson
• [gmx-users] xx of the xxxx bonded interactions couldn't be calculated   Badamkhatan
  • [gmx-users] xx of the xxxx bonded interactions couldn't be calculated   Justin Lemkul
    • [gmx-users] xx of the xxxx bonded interactions couldn't be calculated   David van der Spoel
• [gmx-users] mdrun segmentation fault for new build of gromacs 4.6.1   Roland Schulz
  • [gmx-users] Re: mdrun segmentation fault for new build of gromacs 4.6.1   Amil Anderson
• [gmx-users] Unable to download Gromacs source tar file   Bhamy Maithry Shenoy
  • [gmx-users] Unable to download Gromacs source tar file   Mark Abraham
    • [gmx-users] Unable to download Gromacs source tar file   Bhamy Maithry Shenoy
      • [gmx-users] Unable to download Gromacs source tar file   Mark Abraham
      • [gmx-users] Unable to download Gromacs source tar file   Chandan Choudhury
      • [gmx-users] Unable to download Gromacs source tar file   Mark Abraham
      • [gmx-users] Unable to download Gromacs source tar file   Mark Abraham
      • [gmx-users] Unable to download Gromacs source tar file   Bhamy Maithry Shenoy
      • [gmx-users] Unable to download Gromacs source tar file   Mirco Wahab
      • [gmx-users] Unable to download Gromacs source tar file   Bhamy Maithry Shenoy
      • [gmx-users] Unable to download Gromacs source tar file   Mirco Wahab
• [gmx-users] Regarding mdrun   Venkat Reddy
  • [gmx-users] Regarding mdrun   Mark Abraham
• [gmx-users] energ minimization: cg and I-bfgs   maggin
• [gmx-users] segemntation fault after run do_dssp   Nur Syafiqah Abdul Ghani
  • [gmx-users] segemntation fault after run do_dssp   Erik Marklund
    • [gmx-users] Re: segemntation fault after run do_dssp   shika
      • [gmx-users] segemntation fault after run do_dssp   Erik Marklund
• [gmx-users] User-define non bonded table   Steven Neumann
  • [gmx-users] User-define non bonded table   Mohan maruthi sena
    • [gmx-users] User-define non bonded table   Steven Neumann
      • [gmx-users] User-define non bonded table   Justin Lemkul
      • [gmx-users] User-define non bonded table   Steven Neumann
      • [gmx-users] User-define non bonded table   Justin Lemkul
      • [gmx-users] User-define non bonded table   Steven Neumann
      • [gmx-users] User-define non bonded table   Steven Neumann
      • [gmx-users] User-define non bonded table   Justin Lemkul
• [gmx-users] Problems building gromacs 4.6   colinbannister
  • [gmx-users] Problems building gromacs 4.6   Mark Abraham
    • [gmx-users] Problems building gromacs 4.6   Colin Bannister
      • [gmx-users] Problems building gromacs 4.6   Mark Abraham
• [gmx-users] Re: mdrun segmentation fault for new build of gromacs 4.6.1   Roland Schulz
  • [gmx-users] Re: mdrun segmentation fault for new build of gromacs 4.6.1   Mark Abraham
• [gmx-users] Re: mdrun segmentation fault for new build of gromacs 4.6.1   Roland Schulz
  • [gmx-users] Re: mdrun segmentation fault for new build of gromacs 4.6.1   Amil Anderson
• [gmx-users] maining helix conformation   Sanku M
  • [gmx-users] maining helix conformation   Justin Lemkul
• [gmx-users] changing the version of file   Souilem Safa
  • [gmx-users] changing the version of file   Justin Lemkul
    • [gmx-users] changing the version of file   Souilem Safa
• [gmx-users] Steepest LINCS WARNING   maggin
  • [gmx-users] Re: Steepest LINCS WARNING   maggin
    • [gmx-users] Re: Steepest LINCS WARNING   Mark Abraham
• Fwd: [gmx-users] Eigenvector and eigenvalues   Ankita naithani
  • [gmx-users] Eigenvector and eigenvalues   Tsjerk Wassenaar
    • [gmx-users] Eigenvector and eigenvalues   Ankita naithani
      • [gmx-users] Eigenvector and eigenvalues   Tsjerk Wassenaar
• [gmx-users] why mass and charge is zero?   Albert
  • [gmx-users] why mass and charge is zero?   David van der Spoel
    • [gmx-users] why mass and charge is zero?   Albert
• [gmx-users] Re: Unable to download Gromacs source tar file   Christoph Junghans
  • [gmx-users] Re: Unable to download Gromacs source tar file   Bhamy Maithry Shenoy
• [gmx-users] GPU ECC question   Albert
  • [gmx-users] GPU ECC question   Szilárd Páll
• [gmx-users] distance_restraints   maggin
  • [gmx-users] distance_restraints   Justin Lemkul
    • [gmx-users] Re: distance_restraints   maggin
      • [gmx-users] Re: distance_restraints   Justin Lemkul
      • [gmx-users] Re: distance_restraints   maggin
      • [gmx-users] Re: distance_restraints   maggin
      • [gmx-users] Re: distance_restraints   Tsjerk Wassenaar
      • [gmx-users] Re: distance_restraints   maggin
      • [gmx-users] Re: distance_restraints   maggin
      • [gmx-users] Re: distance_restraints   Tsjerk Wassenaar
      • [gmx-users] Re: distance_restraints   maggin
• [gmx-users] g_density -center issues (GMX version 4.6)   Reid Van Lehn
• [gmx-users] Re: mdrun segmentation fault for new build of gromacs 4.6.1   Roland Schulz
  • [gmx-users] Re: mdrun segmentation fault for new build of gromacs 4.6.1   Amil Anderson
    • [gmx-users] Re: mdrun segmentation fault for new build of gromacs 4.6.1   Szilárd Páll
      • [gmx-users] Re: mdrun segmentation fault for new build of gromacs 4.6.1   Mark Abraham
      • [gmx-users] Re: mdrun segmentation fault for new build of gromacs 4.6.1   Amil Anderson
      • [gmx-users] Re: mdrun segmentation fault for new build of gromacs 4.6.1   Amil Anderson
      • [gmx-users] Re: mdrun segmentation fault for new build of gromacs 4.6.1   Szilárd Páll
    • [gmx-users] Re: mdrun segmentation fault for new build of gromacs 4.6.1   Mark Abraham
• [gmx-users] fftw without SIMD   francesco oteri
  • [gmx-users] fftw without SIMD   Mark Abraham
• [gmx-users] ask for help   mxy1989 at mail.ustc.edu.cn
• [gmx-users] building OLPSAA force field   Souilem Safa
  • [gmx-users] building OLPSAA force field   Mark Abraham
    • [gmx-users] building OLPSAA force field   Souilem Safa
• [gmx-users] site-site Coulombic force   biki
  • [gmx-users] site-site Coulombic force   Mark Abraham
• [gmx-users] Angles not read   Steven Neumann
  • [gmx-users] Angles not read   Justin Lemkul
    • [gmx-users] Angles not read   Steven Neumann
      • [gmx-users] Angles not read   Justin Lemkul
      • [gmx-users] Angles not read   Justin Lemkul
      • [gmx-users] Angles not read   Steven Neumann
      • [gmx-users] Angles not read   Justin Lemkul
      • [gmx-users] Angles not read   Steven Neumann
      • [gmx-users] Angles not read   Justin Lemkul
      • [gmx-users] Angles not read   Steven Neumann
      • [gmx-users] Angles not read   Justin Lemkul
      • [gmx-users] Angles not read   Steven Neumann
      • [gmx-users] Angles not read   Justin Lemkul
      • [gmx-users] Angles not read   Steven Neumann
      • [gmx-users] Angles not read   Steven Neumann
      • [gmx-users] Angles not read   Justin Lemkul
• [gmx-users] Seeing Martini membrane trajectory files   Neha
  • [gmx-users] Seeing Martini membrane trajectory files   Justin Lemkul
• [gmx-users] Genbox center of box   Matt Bawn
  • [gmx-users] Genbox center of box   Justin Lemkul
    • [gmx-users] Re: Genbox center of box   Matt Bawn
      • [gmx-users] Re: Genbox center of box   Justin Lemkul
      • [gmx-users] Re: Genbox center of box   Matt Bawn
      • [gmx-users] Re: Genbox center of box   Justin Lemkul
      • [gmx-users] Re: Genbox center of box   Matt Bawn
• [gmx-users] Re: Free Energy Calculations in Gromacs   JW Gibbs
  • [gmx-users] Re: Free Energy Calculations in Gromacs   Justin Lemkul
    • [gmx-users] Re: Free Energy Calculations in Gromacs   Michael Shirts
      • [gmx-users] Re: Free Energy Calculations in Gromacs   JW Gibbs
• [gmx-users] gromacs 4.6.2 MPI distribution location problems   sirishkaushik
  • [gmx-users] Re: gromacs 4.6.2 MPI distribution location problems   sirishkaushik
    • [gmx-users] Re: gromacs 4.6.2 MPI distribution location problems   Mark Abraham
• [gmx-users] Error in grompp minimization   Souilem Safa
  • [gmx-users] Error in grompp minimization   Justin Lemkul
    • [gmx-users] Error in grompp minimization   Souilem Safa
• [gmx-users] stay at some temperature during annealing   mu xiaojia
  • [gmx-users] stay at some temperature during annealing   Justin Lemkul
    • [gmx-users] stay at some temperature during annealing   Dr. Vitaly Chaban
      • [gmx-users] stay at some temperature during annealing   mu xiaojia
• [gmx-users] A charge group moved too far between two domain decomposition steps   Souilem Safa
  • [gmx-users] A charge group moved too far between two domain decomposition steps   Justin Lemkul
    • [gmx-users] A charge group moved too far between two domain decomposition steps   Dr. Vitaly Chaban
      • [gmx-users] A charge group moved too far between two domain decomposition steps   Justin Lemkul
      • [gmx-users] A charge group moved too far between two domain decomposition steps   Dr. Vitaly Chaban
      • [gmx-users] A charge group moved too far between two domain decomposition steps   Justin Lemkul
• [gmx-users] shall we use double precision?   Albert
  • [gmx-users] shall we use double precision?   Mark Abraham
    • [gmx-users] shall we use double precision?   Albert
  • [gmx-users] shall we use double precision?   Dr. Vitaly Chaban
• [gmx-users] equilibration error   Souilem Safa
• [gmx-users] Constraints of distance   Steven Neumann
  • [gmx-users] Constraints of distance   Justin Lemkul
  • [gmx-users] Constraints of distance   Dr. Vitaly Chaban
    • [gmx-users] Constraints of distance   Steven Neumann
      • [gmx-users] Constraints of distance   Dr. Vitaly Chaban
      • [gmx-users] Constraints of distance   Justin Lemkul
      • [gmx-users] Constraints of distance   Steven Neumann
      • [gmx-users] Constraints of distance   Justin Lemkul
• Fwd: Re: [gmx-users] restraints on water oxygen atoms   Justin Lemkul
• [gmx-users] Membrane Equilibration   Neha
  • [gmx-users] Membrane Equilibration   Dr. Vitaly Chaban
    • [gmx-users] Membrane Equilibration   HANNIBAL LECTER
      • [gmx-users] Membrane Equilibration   Justin Lemkul
      • [gmx-users] Re: Membrane Equilibration   Neha
      • [gmx-users] Re: Membrane Equilibration   Justin Lemkul
      • [gmx-users] Re: Membrane Equilibration   JW Gibbs
      • [gmx-users] Re: Membrane Equilibration   JW Gibbs
      • [gmx-users] Re: Membrane Equilibration   Neha
      • [gmx-users] Re: Membrane Equilibration   Neha
• [gmx-users] System does not heat up to 300K.   Marc Hömberger
  • [gmx-users] System does not heat up to 300K.   Justin Lemkul
  • [gmx-users] System does not heat up to 300K.   Dr. Vitaly Chaban
    • [gmx-users] System does not heat up to 300K.   Marc Hoemberger
• [gmx-users] Enthalpy Confusion   Jeffery Perkins
  • [gmx-users] Enthalpy Confusion   David van der Spoel
    • [gmx-users] Re: Enthalpy Confusion   Jeffery Perkins
      • [gmx-users] Re: Enthalpy Confusion   Michael Shirts
      • [gmx-users] Re: Enthalpy Confusion   Jeffery Perkins
      • [gmx-users] Re: Enthalpy Confusion   David van der Spoel
      • [gmx-users] Re: Enthalpy Confusion   Jeffery Perkins
      • [gmx-users] Re: Enthalpy Confusion   Michael Shirts
      • [gmx-users] Re: Enthalpy Confusion   Jeffery Perkins
      • [gmx-users] Re: Enthalpy Confusion   David van der Spoel
      • [gmx-users] Re: Enthalpy Confusion   Jeffery Perkins
      • [gmx-users] Re: Enthalpy Confusion   David van der Spoel
      • [gmx-users] Re: Enthalpy Confusion   Jeffery Perkins
      • [gmx-users] Re: Enthalpy Confusion   David van der Spoel
  • Aw: [gmx-users] Enthalpy Confusion   lloyd riggs
    • Fw: Aw: [gmx-users] Enthalpy Confusion   lloyd riggs
• [gmx-users] 2013 GROMACS USA Workshop and Conference   Michael Shirts
• [gmx-users] [ defaults ] and nonbonded   Steven Neumann
  • [gmx-users] [ defaults ] and nonbonded   Justin Lemkul
    • [gmx-users] [ defaults ] and nonbonded   Steven Neumann
      • [gmx-users] [ defaults ] and nonbonded   Mark Abraham
• [gmx-users] Tutor directory in gromacs 4.6   colinbannister
  • [gmx-users] Tutor directory in gromacs 4.6   Chandan Choudhury
    • [gmx-users] Tutor directory in gromacs 4.6   Colin Bannister
      • [gmx-users] Tutor directory in gromacs 4.6   Justin Lemkul
• [gmx-users] dssp works fine, but do_dssp gives fatal error   Nikunj Maheshwari
  • [gmx-users] dssp works fine, but do_dssp gives fatal error   Erik Marklund
• [gmx-users] dssp works fine, but do_dssp gives fatal error   Nikunj Maheshwari
  • [gmx-users] dssp works fine, but do_dssp gives fatal error   Mark Abraham
    • [gmx-users] dssp works fine, but do_dssp gives fatal error   Nikunj Maheshwari
  • [gmx-users] dssp works fine, but do_dssp gives fatal error   Erik Marklund
    • [gmx-users] dssp works fine, but do_dssp gives fatal error   Nikunj Maheshwari
      • [gmx-users] dssp works fine, but do_dssp gives fatal error   Erik Marklund
      • [gmx-users] dssp works fine, but do_dssp gives fatal error   Nikunj Maheshwari
• [gmx-users] Issues with energy when running in the microcanonical ensemble   C.M.Sampson
  • [gmx-users] Issues with energy when running in the microcanonical ensemble   Mark Abraham
• [gmx-users] Nonbonded parameters   Steven Neumann
  • [gmx-users] Nonbonded parameters   Justin Lemkul
    • [gmx-users] Nonbonded parameters   Steven Neumann
      • [gmx-users] Nonbonded parameters   Justin Lemkul
      • [gmx-users] Nonbonded parameters   Steven Neumann
      • [gmx-users] Nonbonded parameters   Steven Neumann
      • [gmx-users] Nonbonded parameters   Steven Neumann
      • [gmx-users] Nonbonded parameters   Mark Abraham
      • [gmx-users] Nonbonded parameters   Steven Neumann
      • [gmx-users] Nonbonded parameters   Mark Abraham
      • [gmx-users] Nonbonded parameters   Steven Neumann
      • [gmx-users] Nonbonded parameters   Steven Neumann
      • [gmx-users] Nonbonded parameters   Mark Abraham
      • [gmx-users] Nonbonded parameters   Steven Neumann
      • [gmx-users] Nonbonded parameters   Justin Lemkul
• [gmx-users] Umbrella Sampling Force component output   Kenny Bravo Rodriguez
  • [gmx-users] Umbrella Sampling Force component output   Erik Marklund
    • [gmx-users] Umbrella Sampling Force component output   Kenny Bravo Rodriguez
• [gmx-users] Nonbonded parameters   Steven Neumann
  • [gmx-users] Nonbonded parameters   Justin Lemkul
• [gmx-users] charmm27 in gromacs- grompp error   Revthi Sanker
  • [gmx-users] charmm27 in gromacs- grompp error   Mark Abraham
  • [gmx-users] Fw: charmm27 in gromacs- grompp error   Revthi Sanker
    • [gmx-users] Fw: charmm27 in gromacs- grompp error   Justin Lemkul
• [gmx-users] Details of umbrella sampling simulation   Kieu Thu Nguyen
  • [gmx-users] Re: Details of umbrella sampling simulation   JW Gibbs
    • [gmx-users] Re: Details of umbrella sampling simulation   Kieu Thu Nguyen
• [gmx-users] Quartic Angle   Steven Neumann
  • [gmx-users] Quartic Angle   Justin Lemkul
    • [gmx-users] Quartic Angle   Steven Neumann
• [gmx-users] Problem compiling Gromacs 4.6 on BlueGene/Q   Jernej Zidar
  • [gmx-users] Problem compiling Gromacs 4.6 on BlueGene/Q   Mark Abraham
• [gmx-users] Problem in RMSD plot   Sainitin Donakonda
  • [gmx-users] Problem in RMSD plot   Justin Lemkul
• [gmx-users] Tabulated Potentials   O'Neill, David
  • [gmx-users] Re: Tabulated Potentials   Andrish Reddy
• [gmx-users] System equilibrium problems   Parker de Waal
  • [gmx-users] System equilibrium problems   Mark Abraham
    • [gmx-users] System equilibrium problems   Parker de Waal
      • [gmx-users] Re: System equilibrium problems   maggin
      • [gmx-users] Re: System equilibrium problems   Parker de Waal
      • [gmx-users] Re: System equilibrium problems   Justin Lemkul
      • [gmx-users] Re: System equilibrium problems   Parker de Waal
      • [gmx-users] Re: System equilibrium problems   Justin Lemkul
      • Aw: Re: [gmx-users] Re:Problems with extending runs   lloyd riggs
      • Aw: Re: [gmx-users] Re:Problems with extending runs   lloyd riggs
• [gmx-users] [solved] Problem compiling Gromacs 4.6 on BlueGene/Q   Jernej Zidar
• [gmx-users] refcoord_scaling = com   maggin
  • [gmx-users] refcoord_scaling = com   Justin Lemkul
    • [gmx-users] Re: refcoord_scaling = com   maggin
      • [gmx-users] Re: refcoord_scaling = com   Justin Lemkul
• [gmx-users] Steepest Descents in vacuo   maggin
  • [gmx-users] Steepest Descents in vacuo   Justin Lemkul
    • [gmx-users] Re: Steepest Descents in vacuo   maggin
      • [gmx-users] Re: Steepest Descents in vacuo   Mark Abraham
    • [gmx-users] Re: Steepest Descents in vacuo   maggin
      • [gmx-users] Re: Steepest Descents in vacuo   Justin Lemkul
• [gmx-users] Failed to lock: md.log.   zhaowh
  • [gmx-users] Failed to lock: md.log.   Jianguo Li
    • [gmx-users] Failed to lock: md.log.   Justin Lemkul
• [gmx-users] question about g_mindist   Mahin Saberi
• [gmx-users] RE: About the binary identical results by restarting from the checkpoint file   Cuiying Jian
• [gmx-users] lipid parmaters   Revthi Sanker
• [gmx-users] choosing box vectors   gromacs query
  • [gmx-users] choosing box vectors   Justin Lemkul
    • [gmx-users] choosing box vectors   gromacs query
      • [gmx-users] choosing box vectors   Justin Lemkul
      • [gmx-users] choosing box vectors   gromacs query
      • [gmx-users] choosing box vectors   Justin Lemkul
      • [gmx-users] choosing box vectors   gromacs query
• [gmx-users] autocorrelation output g_hbond   learnmd
  • [gmx-users] autocorrelation output g_hbond   Erik Marklund
    • [gmx-users] autocorrelation output g_hbond   Erik Marklund
• [gmx-users] 53A6 Heme bound Cys   Parker de Waal
• [gmx-users] Problem of g_chi   spin
• [gmx-users] InflateGRO methodology deletion radius   Shima Arasteh
  • [gmx-users] InflateGRO methodology deletion radius   Justin Lemkul
    • [gmx-users] InflateGRO methodology deletion radius   Shima Arasteh
      • [gmx-users] InflateGRO methodology deletion radius   Justin Lemkul
      • [gmx-users] InflateGRO methodology deletion radius   Shima Arasteh
      • [gmx-users] InflateGRO methodology deletion radius   Justin Lemkul
• [gmx-users] question regarding mutation from CH --> COH during free energy calculation   Hyunjin Kim
• [gmx-users] System broken after energy minimization   Kieu Thu Nguyen
  • [gmx-users] System broken after energy minimization   Justin Lemkul
    • [gmx-users] System broken after energy minimization   Tsjerk Wassenaar
• [gmx-users] Problems with simulations of a triclinic crystal lattice with Parrinello-Rahman   sa
• [gmx-users] g_mindist   Mahin Saberi
  • [gmx-users] g_mindist   Justin Lemkul
• [gmx-users] XYZ Cordinates of a subsset of atoms   rankinb
  • [gmx-users] XYZ Cordinates of a subsset of atoms   Mark Abraham
• [gmx-users] RE: Re: RE: About the binary identical results by restarting from the checkpoint file   Cuiying Jian
  • [gmx-users] RE: Re: RE: About the binary identical results by restarting from the checkpoint file   Mark Abraham
• [gmx-users] Gromacs 4.5.5   Emmanuel, Alaina
  • [gmx-users] Re: Gromacs 4.5.5   maggin
    • [gmx-users] Re: Gromacs 4.5.5   Mark Abraham
    • [gmx-users] Re: Gromacs 4.5.5   Emmanuel, Alaina
      • [gmx-users] Re: Gromacs 4.5.5   Emmanuel, Alaina
  • [gmx-users] Gromacs 4.5.5   Mark Abraham
    • [gmx-users] Gromacs 4.5.5   Emmanuel, Alaina
• [gmx-users] Distance.dat file in umbrella sampling   Kieu Thu Nguyen
  • [gmx-users] Distance.dat file in umbrella sampling   Justin Lemkul
• [gmx-users] NVT .gro for NPT   maggin
  • [gmx-users] NVT .gro for NPT   Tsjerk Wassenaar
    • [gmx-users] Re: NVT .gro for NPT   maggin
      • [gmx-users] Re: NVT .gro for NPT   Mark Abraham
• [gmx-users] a snapshot of NVT   maggin
  • [gmx-users] a snapshot of NVT   Tsjerk Wassenaar
    • [gmx-users] Re: a snapshot of NVT   maggin
• [gmx-users] a snapshot of NVT   maggin
• [gmx-users] sequentially fitting each frame of one trajectory to each frame of another trajectory   Thomas Evangelidis
  • [gmx-users] sequentially fitting each frame of one trajectory to each frame of another trajectory   Tsjerk Wassenaar
    • [gmx-users] sequentially fitting each frame of one trajectory to each frame of another trajectory   Thomas Evangelidis
• [gmx-users] Re: QM/MM simulations   DavidPO
  • [gmx-users] Re: QM/MM simulations   Justin Lemkul
    • [gmx-users] Re: QM/MM simulations   DavidPO
      • [gmx-users] Re: QM/MM simulations   Justin Lemkul
      • [gmx-users] Re: QM/MM simulations   Justin Lemkul
      • [gmx-users] Re: QM/MM simulations   DavidPO
      • [gmx-users] Re: QM/MM simulations   Justin Lemkul
• [gmx-users] gromos force field in PRODRG server   shahab shariati
  • [gmx-users] gromos force field in PRODRG server   Justin Lemkul
• [gmx-users] list of missing LJ-14 interactions:   라지브간디
  • [gmx-users] list of missing LJ-14 interactions:   Justin Lemkul
• [gmx-users] How to check if one protein broke into fragments during MD?   maggin
  • [gmx-users] How to check if one protein broke into fragments during MD?   Justin Lemkul
    • [gmx-users] Re: How to check if one protein broke into fragments during MD?   maggin
      • [gmx-users] Re: How to check if one protein broke into fragments during MD?   Justin Lemkul
      • [gmx-users] Re: How to check if one protein broke into fragments during MD?   maggin
• [gmx-users] CUDA with QUADRO GPUs?   Ramon Crehuet
  • [gmx-users] CUDA with QUADRO GPUs?   Szilárd Páll
• [gmx-users] RE: Re: RE: Re: RE: About the binary identical results by restarting from the checkpoint file   Cuiying Jian
• [gmx-users] Re: MD run - gen_vel   Justin Lemkul
• [gmx-users] question regarding mutation from CH --> COH during free energy calculation   Hyunjin Kim
  • [gmx-users] question regarding mutation from CH --> COH during free energy calculation   Justin Lemkul
• [gmx-users] grompp error   Hasni Arsad
  • [gmx-users] grompp error   Mark Abraham
    • [gmx-users] grompp error   Hasni Arsad
      • [gmx-users] grompp error   massimo sandal
      • [gmx-users] grompp error   Hasni Arsad
• [gmx-users] to print parameters used from force field   gromacs query
  • [gmx-users] to print parameters used from force field   Mark Abraham
    • [gmx-users] to print parameters used from force field   gromacs query
      • AW: [gmx-users] to print parameters used from force field   Florian Dommert
      • [gmx-users] to print parameters used from force field   gromacs query
      • [gmx-users] to print parameters used from force field   Mark Abraham
      • [gmx-users] to print parameters used from force field   gromacs query
      • [gmx-users] to print parameters used from force field   Mark Abraham
• [gmx-users] Re: CUDA with QUADRO GPUs   Ramon Crehuet Simon
• [gmx-users] grompp error   Mark Abraham
  • [gmx-users] grompp error   Hasni Arsad
• [gmx-users] g_sas on pdb files   erin.cutts
  • [gmx-users] g_sas on pdb files   Justin Lemkul
    • [gmx-users] Re: g_sas on pdb files   erin.cutts
      • [gmx-users] Re: g_sas on pdb files   Justin Lemkul
• [gmx-users] Trying to obtain dcd files   chinnu657
• [gmx-users] Trying to get dcd files   chinnu657
• [gmx-users] Binding free energy calculation by thermodynamic integration   Moutusi Manna
• [gmx-users] Virtual sites parameters   Bastien Loubet
  • [gmx-users] Virtual sites parameters   Justin Lemkul
• [gmx-users] Overlap between PC motions   Miguel Ángel Mompeán García
• [gmx-users] Membrane Runs Crashing   Neha
  • [gmx-users] Membrane Runs Crashing   Justin Lemkul
    • [gmx-users] Re: Membrane Runs Crashing   Neha
      • [gmx-users] Re: Membrane Runs Crashing   Justin Lemkul
      • [gmx-users] Re: Membrane Runs Crashing   Neha
      • [gmx-users] Re: Membrane Runs Crashing   Justin Lemkul
      • [gmx-users] Re: Membrane Runs Crashing   Neha
      • [gmx-users] Re: Membrane Runs Crashing   Neha
      • [gmx-users] Re: Membrane Runs Crashing   Justin Lemkul
      • [gmx-users] Re: Membrane Runs Crashing   Mirco Wahab
      • [gmx-users] Re: Membrane Runs Crashing   Mirco Wahab
• [gmx-users] how to describe the change of channel in the MD   aixintiankong
  • [gmx-users] how to describe the change of channel in the MD   francesco oteri
• [gmx-users] radial distribution function gAB (r, θ)   neshat haq
• [gmx-users] cholesteryl oleate parameters-reg   Revthi Sanker
  • [gmx-users] cholesteryl oleate parameters-reg   Justin Lemkul
• [gmx-users] how to describe the change of channel in the MD   aixintiankong
  • [gmx-users] how to describe the change of channel in the MD   Justin Lemkul
  • [gmx-users] g__dist calculate the distance of two residues from different loops   aixintiankong
    • [gmx-users] g__dist calculate the distance of two residues from different loops   Justin Lemkul
• [gmx-users] Running a Demo Calculation   Raji Viswanathan
  • [gmx-users] Running a Demo Calculation   Justin Lemkul
• [gmx-users] Re: Your Response to my GROMACS question   Justin Lemkul
• [gmx-users] atomtype names case INsensitive?   gromacs query
  • [gmx-users] atomtype names case INsensitive?   Mark Abraham
    • [gmx-users] atomtype names case INsensitive?   Baptiste Demoulin
      • [gmx-users] atomtype names case INsensitive?   gromacs query
• [gmx-users] Distance travelled from time 0   Natalie Stephenson
  • [gmx-users] Distance travelled from time 0   Parker de Waal
    • [gmx-users] Distance travelled from time 0   Tsjerk Wassenaar
• [gmx-users] System expansion   Oliver Schillinger
  • [gmx-users] System expansion   Dr. Vitaly Chaban
• [gmx-users] Error while using genion   Raji Viswanathan
  • [gmx-users] Error while using genion   Justin Lemkul
• [gmx-users] Test Particle Insertion   Phan, Anh T.
  • [gmx-users] Test Particle Insertion   Naga Rajesh Tummala
  • [gmx-users] Test Particle Insertion   João M. Damas
• [gmx-users] Decouple   Hari Pandey
  • [gmx-users] Decouple   Justin Lemkul
• [gmx-users] Decouple   Justin Lemkul
• [gmx-users] (no subject)   Hari Pandey
  • [gmx-users] (no subject)   Justin Lemkul
• [gmx-users] can extract edr and cpt of one frame?   maggin
  • [gmx-users] can extract edr and cpt of one frame?   Mark Abraham
• [gmx-users] GROMACS on GPU   sunyeping at aliyun.com
• [gmx-users] gromacs on GPU   sunyeping at aliyun.com
  • [gmx-users] gromacs on GPU   Mark Abraham
• [gmx-users] free energy calculations of methane in water computed by GMX ver 4.5.7 and ver 4.6.2   Dwey
  • [gmx-users] free energy calculations of methane in water computed by GMX ver 4.5.7 and ver 4.6.2   Justin Lemkul
• [gmx-users] RE: Test Particle Insertion   Phan, Anh T.
• [gmx-users] Tempereture coupling and heat flux on each part   Hari Pandey
• [gmx-users] removal of the initial periodicity by editconf   Andrew Bostick
• [gmx-users] removal of the initial periodicity by editconf   Andrew Bostick
• [gmx-users] removal of the initial periodicity by editconf   Andrew Bostick
  • [gmx-users] removal of the initial periodicity by editconf   Justin Lemkul
• [gmx-users] Gromacs GPU system question   Mare Libero
  • [gmx-users] Gromacs GPU system question   Mirco Wahab
    • [gmx-users] Gromacs GPU system question   Szilárd Páll
  • [gmx-users] Gromacs GPU system question   Szilárd Páll
• [gmx-users] Gromacs GPU system question   Mirco Wahab
  • [gmx-users] Gromacs GPU system question   Szilárd Páll
• [gmx-users] Re: free energy calculations of methane in water computed by GMX ver 4.5.7 and ver 4.6.2   Dwey
  • [gmx-users] Re: free energy calculations of methane in water computed by GMX ver 4.5.7 and ver 4.6.2   Justin Lemkul
• [gmx-users] removal of the initial periodicity by editconf   Andrew Bostick
  • [gmx-users] removal of the initial periodicity by editconf   Justin Lemkul
• 转发：[gmx-users] gromacs on GPU   sunyeping at aliyun.com
  • Re: 转发：[gmx-users] gromacs on GPU   Mark Abraham
• [gmx-users] Thought you'd find this interesting   Anil Mhashal
  • [gmx-users] Thought you'd find this interesting   Oliver Schillinger
    • [gmx-users] Thought you'd find this interesting   Anil Mhashal
• [gmx-users] TPI Results differ in v4.5.7 and v4.6.1   Niels Müller
  • [gmx-users] TPI Results differ in v4.5.7 and v4.6.1   João M. Damas
    • [gmx-users] TPI Results differ in v4.5.7 and v4.6.1   Niels Müller
      • [gmx-users] TPI Results differ in v4.5.7 and v4.6.1   Szilárd Páll
      • [gmx-users] TPI Results differ in v4.5.7 and v4.6.1   João M. Damas
• [gmx-users] problem with charmm2gromacs-pvm.py   Albert
• [gmx-users] radial distribution function gAB (r, theta)   neshat haq
  • [gmx-users] radial distribution function gAB (r, theta)   Justin Lemkul
• [gmx-users] Re: gmx-users Digest, Vol 110, Issue 114   Raji Viswanathan
  • [gmx-users] Error while using genion   Justin Lemkul
    • [gmx-users] Re: Error while using genion   raji_yu
      • [gmx-users] Re: Error while using genion   Justin Lemkul
• [gmx-users] 1-4 interactions free energy calculations   Sonia Aguilera
  • [gmx-users] 1-4 interactions free energy calculations   Justin Lemkul
    • [gmx-users] Re: 1-4 interactions free energy calculations   Sonia Aguilera
      • [gmx-users] Re: 1-4 interactions free energy calculations   Michael Shirts
      • [gmx-users] Re: 1-4 interactions free energy calculations   Sonia Aguilera
      • [gmx-users] Re: 1-4 interactions free energy calculations   Justin Lemkul
• [gmx-users] Settles vs. 3 normal constraints (energy conservation problem)   S. Alireza Bagherzadeh
  • [gmx-users] Settles vs. 3 normal constraints (energy conservation problem)   Mark Abraham
    • [gmx-users] Settles vs. 3 normal constraints (energy conservation problem)   Broadbent, Richard
      • [gmx-users] Settles vs. 3 normal constraints (energy conservation problem)   Mark Abraham
• [gmx-users] Can't read 1048576 bytes of 'pullx500.xvg' to compute checksum.   Steven Neumann
  • Aw: [gmx-users] Can't read 1048576 bytes of 'pullx500.xvg' to compute checksum.   lloyd riggs
    • [gmx-users] Can't read 1048576 bytes of 'pullx500.xvg' to compute checksum.   Steven Neumann
• [gmx-users] Intel vs gcc compilers   Djurre de Jong-Bruinink
  • [gmx-users] Intel vs gcc compilers   Mark Abraham
    • [gmx-users] Intel vs gcc compilers   Pedro Lacerda
      • [gmx-users] Intel vs gcc compilers   Mark Abraham
    • [gmx-users] Intel vs gcc compilers   Djurre de Jong-Bruinink
• [gmx-users] remd analysis   Shine A
  • [gmx-users] remd analysis   Mark Abraham
• [gmx-users] g_correlation tool for gromacs-4.5.x   Navjeet Ahalawat
• [gmx-users] EM problem   Kieu Thu Nguyen
  • [gmx-users] EM problem   Mark Abraham
• [gmx-users] ***using output of dl_poly in gromacs??***   hamid mosaddeghi
  • [gmx-users] ***using output of dl_poly in gromacs??***   David van der Spoel
    • Fw: [gmx-users] ***using output of dl_poly in gromacs??***   hamid mosaddeghi
      • Fw: [gmx-users] ***using output of dl_poly in gromacs??***   David van der Spoel
• [gmx-users] Default Electrostatic Algorithm for User Defined Potential   Shi, Yu (shiy4)
• [gmx-users] GPU / CPU load imblance   Dwey
  • [gmx-users] GPU / CPU load imblance   Justin Lemkul
• [gmx-users] AMBER to GROMACS conversion   Parker de Waal
  • [gmx-users] AMBER to GROMACS conversion   Mark Abraham
    • [gmx-users] AMBER to GROMACS conversion   Parker de Waal
      • [gmx-users] AMBER to GROMACS conversion   Bruce D. Ray
• [gmx-users] Re: greetings   Justin Lemkul
• [gmx-users] Tabulated angles - how to use?   Steven Neumann
  • [gmx-users] Tabulated angles - how to use?   Mark Abraham
• [gmx-users] Fwd: Gromac trr analysis, wired interacation   Mark Abraham
• [gmx-users] Re: Settles vs. 3 normal constraints (energy conservation problem)   S. Alireza Bagherzadeh
• [gmx-users] Extending Simulations   Neha
  • [gmx-users] Extending Simulations   HANNIBAL LECTER
    • [gmx-users] Extending Simulations   Justin Lemkul
• [gmx-users] REMD   Shine A
  • [gmx-users] REMD   Mark Abraham
• [gmx-users] Protein RMSD high   tarak karmakar
  • [gmx-users] Protein RMSD high   Mark Abraham
    • [gmx-users] Protein RMSD high   tarak karmakar
• [gmx-users] Dear Sir   Sathish Kumar
  • [gmx-users] Dear Sir   Justin Lemkul
• [gmx-users] multiple chain restrain problem   Albert
  • [gmx-users] multiple chain restrain problem   Justin Lemkul
    • [gmx-users] multiple chain restrain problem   Albert
• [gmx-users] Installation on Ubuntu 12.04LTS   Mare Libero
  • [gmx-users] Installation on Ubuntu 12.04LTS   Mark Abraham
  • [gmx-users] Installation on Ubuntu 12.04LTS   Szilárd Páll
    • [gmx-users] Installation on Ubuntu 12.04LTS   Mare Libero
• [gmx-users] GPU-based workstation   James Starlight
• [gmx-users] still dealing with GFP-like chromophore with LINCS warnings   Anna Marabotti
  • [gmx-users] still dealing with GFP-like chromophore with LINCS warnings   Baptiste Demoulin
• [gmx-users] Visualize Protein ligand complex   Sainitin Donakonda
  • [gmx-users] Visualize Protein ligand complex   Thales Kronenberger
    • [gmx-users] Visualize Protein ligand complex   Tsjerk Wassenaar
• [gmx-users] Gromacs 4.5.4 and Gromacs 4.5.5 give different results   sarupria
  • [gmx-users] Gromacs 4.5.4 and Gromacs 4.5.5 give different results   Justin Lemkul
    • [gmx-users] Gromacs 4.5.4 and Gromacs 4.5.5 give different results   Sapna Sarupria
      • [gmx-users] Gromacs 4.5.4 and Gromacs 4.5.5 give different results   Justin Lemkul
      • [gmx-users] Gromacs 4.5.4 and Gromacs 4.5.5 give different results   Sapna Sarupria
• [gmx-users] clarification of equation 4.65   Christopher Neale
  • [gmx-users] clarification of equation 4.65   Mark Abraham
• [gmx-users] PBC problem   Yutian Yang
  • [gmx-users] PBC problem   Tsjerk Wassenaar
• [gmx-users] Pulling   Kieu Thu Nguyen
• [gmx-users] g_energy units   Leandro Bortot
  • [gmx-users] g_energy units   Mark Abraham
• [gmx-users] How to modify the code g_hbond to analyze the non-traditional hydrogen bonds like C-H...O   Wu Chaofu
  • [gmx-users] How to modify the code g_hbond to analyze the non-traditional hydrogen bonds like C-H...O   David van der Spoel
• [gmx-users] Re: Pulling   Thomas Schlesier
• [gmx-users] unit conversion   Hyunjin Kim

Last message date: Sun Jun 30 18:11:13 CEST 2013
Archived on: Thu Nov 14 12:14:28 CET 2013

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