September 2014 Archives by thread

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Starting: Mon Sep 1 00:27:51 CEST 2014
Ending: Tue Sep 30 23:40:03 CEST 2014
Messages: 738

• [gmx-users] Counting Interactions in vacuo ..   Mark Abraham
• [gmx-users] Installing gromacs 4.6.6 with gsl 1.16   B P
  • [gmx-users] Installing gromacs 4.6.6 with gsl 1.16   Justin Lemkul
    • [gmx-users] Installing gromacs 4.6.6 with gsl 1.16   B P
• [gmx-users] GPU and MPI   Oliver Schillinger
  • [gmx-users] GPU and MPI   Carsten Kutzner
    • [gmx-users] GPU and MPI   Da-Wei Li
      • [gmx-users] GPU and MPI   Carsten Kutzner
      • [gmx-users] GPU and MPI   Da-Wei Li
      • [gmx-users] GPU and MPI   Carsten Kutzner
      • [gmx-users] GPU and MPI   Szilárd Páll
      • [gmx-users] GPU and MPI   Da-Wei Li
      • [gmx-users] GPU and MPI   Da-Wei Li
      • [gmx-users] GPU and MPI   Albert
      • [gmx-users] GPU and MPI   Yunlong Liu
      • [gmx-users] GPU and MPI   Albert
      • [gmx-users] GPU and MPI   Da-Wei Li
      • [gmx-users] GPU and MPI   Albert
      • [gmx-users] GPU and MPI   Da-Wei Li
• [gmx-users] -res option in g_rmsf   Dawid das
  • [gmx-users] -res option in g_rmsf   Tsjerk Wassenaar
    • [gmx-users] -res option in g_rmsf   Dawid das
• [gmx-users] correction of g_principal bug   nicola staffolani
  • [gmx-users] correction of g_principal bug   Justin Lemkul
    • [gmx-users] correction of g_principal bug   nicola staffolani
      • [gmx-users] correction of g_principal bug   Justin Lemkul
      • [gmx-users] correction of g_principal bug   nicola staffolani
• [gmx-users] How to combine Slipid FF with amber FF?   Yorquant Wang
  • [gmx-users] How to combine Slipid FF with amber FF?   Justin Lemkul
• [gmx-users] Segmentation fault mdrun   Alex s
  • [gmx-users] Segmentation fault mdrun   Mark Abraham
    • [gmx-users] Structuring as function of z - gmx order   Dallas Warren
      • [gmx-users] Structuring as function of z - gmx order   Dallas Warren
      • [gmx-users] Structuring as function of z - gmx order   Dallas Warren
• [gmx-users] Unrealistic behaviour of water on graphene [NVT]   Kester Wong
  • [gmx-users] Unrealistic behaviour of water on graphene [NVT]   Tsjerk Wassenaar
    • [gmx-users] Unrealistic behaviour of water on graphene [NVT]   Kester Wong
• [gmx-users] changing the viscosity of water in a simulation   soumadwip ghosh
  • [gmx-users] changing the viscosity of water in a simulation   Dr. Vitaly Chaban
• [gmx-users] template.c is needed for Gromacs 5.0   Bert
  • [gmx-users] template.c is needed for Gromacs 5.0   Mark Abraham
• [gmx-users] tab completion gmx   Viveca Lindahl
  • [gmx-users] tab completion gmx   Mark Abraham
• [gmx-users] Energy minimization problem after editconf step   neha bharti
  • [gmx-users] Energy minimization problem after editconf step   Justin Lemkul
• [gmx-users] Reminder about Gromacs user survey   Michael Shirts
• [gmx-users] Energy minimization problem after editconf step   neha bharti
  • [gmx-users] Energy minimization problem after editconf step   Justin Lemkul
• [gmx-users] How to mearg Ligand protein and Lipid   neha bharti
  • [gmx-users] How to mearg Ligand protein and Lipid   Justin Lemkul
    • [gmx-users] How to mearg Ligand protein and Lipid   RINU KHATTRI
      • [gmx-users] How to mearg Ligand protein and Lipid   Justin Lemkul
• [gmx-users] Creating an ITP file for charmm27   Kester Wong
  • [gmx-users] Creating an ITP file for charmm27   Justin Lemkul
• [gmx-users] gromacs 5.0 compile with QM/MM   高军
  • [gmx-users] gromacs 5.0 compile with QM/MM   Yerko Escalona
• [gmx-users] Problem with gmx trjconv -box -1 -1 14   Stefano Borocci
  • [gmx-users] Problem with gmx trjconv -box -1 -1 14   Mark Abraham
    • [gmx-users] Problem with gmx trjconv -box -1 -1 14   Justin Lemkul
      • [gmx-users] Problem with gmx trjconv -box -1 -1 14   Stefano Borocci
      • [gmx-users] Problem with gmx trjconv -box -1 -1 14   Mark Abraham
      • [gmx-users] Problem with gmx trjconv -box -1 -1 14   Stefano Borocci
      • [gmx-users] Problem with gmx trjconv -box -1 -1 14   Stefano Borocci
• [gmx-users] Why compute capability > or = 2.0??   B P
  • [gmx-users] Why compute capability > or = 2.0??   Mark Abraham
    • [gmx-users] Why compute capability > or = 2.0??   Szilárd Páll
• [gmx-users] All atom MD Simulation   Anitha
  • [gmx-users] All atom MD Simulation   Justin Lemkul
    • [gmx-users] All atom MD Simulation   Ullmann, Thomas
• [gmx-users] Making trajectory movie last longer.   Dawid das
  • [gmx-users] Making trajectory movie last longer.   andrea
    • [gmx-users] Making trajectory movie last longer.   Dawid das
      • [gmx-users] Making trajectory movie last longer.   Johnny Lu
      • [gmx-users] Making trajectory movie last longer.   Johnny Lu
      • [gmx-users] Making trajectory movie last longer.   andrea
• [gmx-users] Constraint and Temperature Drop in NVE   Johnny Lu
  • [gmx-users] Constraint and Temperature Drop in NVE   Johnny Lu
    • [gmx-users] Constraint and Temperature Drop in NVE   Johnny Lu
      • [gmx-users] Constraint and Temperature Drop in NVE   Johnny Lu
      • [gmx-users] Constraint and Temperature Drop in NVE   Mark Abraham
      • [gmx-users] Constraint and Temperature Drop in NVE   Johnny Lu
      • [gmx-users] Constraint and Temperature Drop in NVE   Johnny Lu
      • [gmx-users] Constraint and Temperature Drop in NVE   Johnny Lu
      • [gmx-users] Constraint and Temperature Drop in NVE   Johnny Lu
      • [gmx-users] Constraint and Temperature Drop in NVE   Mark Abraham
      • [gmx-users] Constraint and Temperature Drop in NVE   Justin Lemkul
      • [gmx-users] Constraint and Temperature Drop in NVE   Johnny Lu
      • [gmx-users] Constraint and Temperature Drop in NVE   Justin Lemkul
• [gmx-users] changing the viscosity of water in a simulation   Christoph Junghans
• [gmx-users] GROM (.mdp, .itp, .top) and .pdb Editor with Syntax Highlighting   Hovakim Grabski
  • [gmx-users] GROM (.mdp, .itp, .top) and .pdb Editor with Syntax Highlighting   Александр Селютин
    • [gmx-users] GROM (.mdp, .itp, .top) and .pdb Editor with Syntax Highlighting   Johnny Lu
• [gmx-users] Configuration bug preventing GROMACS 5.0 build with Intel compiler?   Paul Caheny
  • [gmx-users] Configuration bug preventing GROMACS 5.0 build with Intel compiler?   Mark Abraham
• [gmx-users] GROM (.mdp, .itp, .top) and .pdb Editor with Syntax Highlighting   Hovakim Grabski
• [gmx-users] Moving part # of -noappend   Johnny Lu
  • [gmx-users] Moving part # of -noappend   Johnny Lu
    • [gmx-users] Moving part # of -noappend   Justin Lemkul
• [gmx-users] "Coul. Recip." in Logfile for Classical Ewald   Barnett, James W.
  • [gmx-users] "Coul. Recip." in Logfile for Classical Ewald   Mark Abraham
• [gmx-users] Отв: Отв: GROM (.mdp, .itp, .top) and .pdb Editor with Syntax Highlighting   Hovakim Grabski
• [gmx-users] g_select syntax   Bin Liu
  • [gmx-users] g_select syntax   Teemu Murtola
• [gmx-users] GROMACS efficiency on Maxwell GPUs   Bin Liu
• [gmx-users] adding ions in the genion for multimeric proteins   Ambarnil Ghosh
  • [gmx-users] adding ions in the genion for multimeric proteins   rajat desikan
  • [gmx-users] adding ions in the genion for multimeric proteins   Dallas Warren
    • [gmx-users] Request for return of PDF containing all the commands, with help   Dallas Warren
      • [gmx-users] Request for return of PDF containing all the commands, with help   Justin Lemkul
      • [gmx-users] Request for return of PDF containing all the commands, with help   Mark Abraham
      • [gmx-users] Request for return of PDF containing all the commands, with help   Dallas Warren
• [gmx-users] Regarding gromacs installation   Sathya
  • [gmx-users] Regarding gromacs installation   Chandan Choudhury
  • [gmx-users] Regarding gromacs installation   Dinesh Mali
• [gmx-users] CHARMM36: No default U-B types   Victor Sojo
  • [gmx-users] CHARMM36: No default U-B types   Justin Lemkul
• [gmx-users] minimize the contribution from the reciprocal space in PME   Weilong Zhao
• [gmx-users] Error with g_wham reading .pdo files   Lyna Luo
  • [gmx-users] Error with g_wham reading .pdo files   Justin Lemkul
    • [gmx-users] Error with g_wham reading .pdo files   Lyna Luo
• [gmx-users] non-zero charge   Lovika Moudgil
  • [gmx-users] non-zero charge   Indu Kumari
    • [gmx-users] non-zero charge   Justin Lemkul
      • [gmx-users] non-zero charge   Lovika Moudgil
  • [gmx-users] non-zero charge   Mark Abraham
• [gmx-users] Electric fields in gromacs   David van der Spoel
• [gmx-users] Query regarding the addition of solvent molecule   Christina Florina
  • [gmx-users] Query regarding the addition of solvent molecule   Justin Lemkul
    • [gmx-users] Query regarding the addition of solvent molecule   Christina Florina
      • [gmx-users] Query regarding the addition of solvent molecule   Justin Lemkul
      • [gmx-users] Query regarding the addition of solvent molecule   Christina Florina
      • [gmx-users] Query regarding the addition of solvent molecule   Justin Lemkul
      • [gmx-users] Query regarding the addition of solvent molecule   Christina Florina
      • [gmx-users] Query regarding the addition of solvent molecule   Justin Lemkul
      • [gmx-users] Query regarding the addition of solvent molecule   Christina Florina
      • [gmx-users] Query regarding the addition of solvent molecule   Justin Lemkul
      • [gmx-users] Query regarding the addition of solvent molecule   Christina Florina
      • [gmx-users] Query regarding the addition of solvent molecule   Justin Lemkul
• [gmx-users] tab completion gmx   Viveca Lindahl
  • [gmx-users] tab completion gmx   Mark Abraham
• [gmx-users] Gromacs 5.0 compilation slower than 4.6.5. What went wrong ?   David McGiven
  • [gmx-users] Gromacs 5.0 compilation slower than 4.6.5. What went wrong ?   Szilárd Páll
    • [gmx-users] Gromacs 5.0 compilation slower than 4.6.5. What went wrong ?   David McGiven
      • [gmx-users] Gromacs 5.0 compilation slower than 4.6.5. What went wrong ?   Szilárd Páll
      • [gmx-users] Gromacs 5.0 compilation slower than 4.6.5. What went wrong ?   David McGiven
      • [gmx-users] Gromacs 5.0 compilation slower than 4.6.5. What went wrong ?   Abhi Acharya
      • [gmx-users] Gromacs 5.0 compilation slower than 4.6.5. What went wrong ?   David McGiven
      • [gmx-users] Gromacs 5.0 compilation slower than 4.6.5. What went wrong ?   David McGiven
      • [gmx-users] Gromacs 5.0 compilation slower than 4.6.5. What went wrong ?   Carsten Kutzner
      • [gmx-users] Gromacs 5.0 compilation slower than 4.6.5. What went wrong ?   Abhi Acharya
      • [gmx-users] Gromacs 5.0 compilation slower than 4.6.5. What went wrong ?   Mark Abraham
      • [gmx-users] Gromacs 5.0 compilation slower than 4.6.5. What wentwrong ?   Abhishek Acharya
      • [gmx-users] Gromacs 5.0 compilation slower than 4.6.5. What wentwrong ?   Mark Abraham
      • [gmx-users] Gromacs 5.0 compilation slower than 4.6.5. What wentwrong ?   Szilárd Páll
      • [gmx-users] Gromacs 5.0 compilation slower than 4.6.5. What wentwrong ?   Abhi Acharya
      • [gmx-users] Gromacs 5.0 compilation slower than 4.6.5. What wentwrong ?   David McGiven
• [gmx-users] charmm topology for unknown residues in GMX   xy21hb
  • [gmx-users] charmm topology for unknown residues in GMX   Justin Lemkul
• [gmx-users] overclocked cpu on gromacs   Nizar Masbukhin
• [gmx-users] Mirror xtc-grp   Johnny Lu
  • [gmx-users] Mirror xtc-grp   Johnny Lu
• [gmx-users] Gromacs 5.0.1 is released   Mark Abraham
• [gmx-users] What does PHE(OL) mean?   Johnny Lu
• [gmx-users] Cuda CC 2.0 restrictions   Mirco Wahab
  • [gmx-users] Cuda CC 2.0 restrictions   Mark Abraham
  • [gmx-users] Cuda CC 2.0 restrictions   Szilárd Páll
    • [gmx-users] Cuda CC 2.0 restrictions   Mirco Wahab
      • [gmx-users] Cuda CC 2.0 restrictions   Szilárd Páll
• [gmx-users] g_order and gromacs 5.0   sa
• [gmx-users] no data read from file pdo.gz   Lyna Luo
  • [gmx-users] no data read from file pdo.gz   Justin Lemkul
    • [gmx-users] no data read from file pdo.gz   Lyna Luo
      • [gmx-users] no data read from file pdo.gz   Justin Lemkul
• [gmx-users] g_mindist for hydrophobic interactions   Ca C.
  • [gmx-users] g_mindist for hydrophobic interactions   Erik Marklund
  • [gmx-users] g_mindist for hydrophobic interactions   lloyd riggs
• [gmx-users] (no subject)   Somayeh Alimohammadi
  • [gmx-users] (no subject)   Justin Lemkul
• [gmx-users] GPU job failed   Albert
  • [gmx-users] GPU job failed   Szilárd Páll
    • [gmx-users] GPU job failed   Yunlong Liu
      • [gmx-users] GPU job failed   Albert
      • [gmx-users] GPU job failed   Albert
      • [gmx-users] GPU job failed   Carsten Kutzner
      • [gmx-users] GPU job failed   Albert
      • [gmx-users] GPU job failed   Albert
      • [gmx-users] GPU job failed   Albert
• [gmx-users] g-select failed   Albert
  • [gmx-users] g-select failed   Teemu Murtola
    • [gmx-users] g-select failed   Albert
      • [gmx-users] g-select failed   Teemu Murtola
• [gmx-users] Status of MD simulation   ankit agrawal
  • [gmx-users] Status of MD simulation   Mark Abraham
  • [gmx-users] Status of MD simulation   Lovika Moudgil
• [gmx-users] Integrator problem   Lovika Moudgil
  • [gmx-users] Integrator problem   Mark Abraham
    • [gmx-users] Integrator problem   Lovika Moudgil
• [gmx-users] Performing MD simulations in presence of trivalent cations.   soumadwip ghosh
  • [gmx-users] Performing MD simulations in presence of trivalent cations.   David van der Spoel
• [gmx-users] protein-ligand complex by gromacs   Mahboobeh Eslami
  • [gmx-users] protein-ligand complex by gromacs   Justin Lemkul
  • [gmx-users] protein-ligand complex by gromacs   lloyd riggs
• [gmx-users] Limitation on the maximum number of OpenMPI threads   Abhi Acharya
  • [gmx-users] Limitation on the maximum number of OpenMPI threads   Mark Abraham
• [gmx-users] electric filed   Albert
• [gmx-users] PME   kiana moghaddam
  • [gmx-users] PME   Szilárd Páll
    • [gmx-users] PME   Mark Abraham
• [gmx-users] [ANN] MDTraj 1.0: Trajectory Analysis in Python   Robert McGibbon
• [gmx-users] [CfP] 5th International Workshop on Model-driven Approaches for Simulation Engineering (Mod4Sim)   Daniele Gianni
• [gmx-users] PBC only on x and y in an NPT ensemble   Chrisostomos Batistakis
• [gmx-users] Spherical Position Restrain from the center of the Box   #ZHANG HAIPING#
• [gmx-users] Postdoc Position Available   Dirar Homouz
• [gmx-users] Modifying the protein chain in GROMACS   Tim Stauch
  • [gmx-users] Modifying the protein chain in GROMACS   Justin Lemkul
• [gmx-users] mean square displacement   Nidhi Katyal
• [gmx-users] mean-square displacement   ashhar khan
• [gmx-users] PBC problem in bilayer system   shahab shariati
  • [gmx-users] PBC problem in bilayer system   Michael Carter
    • [gmx-users] PBC problem in bilayer system   Michael Carter
• [gmx-users] gromacs.org_gmx-users Digest, Vol 125, Issue 20   Ambarnil Ghosh
• [gmx-users] Using GROMACS to find the net charge on a Protein   Agnivo Gosai
  • [gmx-users] Using GROMACS to find the net charge on a Protein   Justin Lemkul
  • [gmx-users] Using GROMACS to find the net charge on a Protein   João Henriques
  • [gmx-users] Using GROMACS to find the net charge on a Protein   donna at iflysib.unlp.edu.ar
• [gmx-users] use of " -t nvt.cpt" option in NPT equilibration   Ansuman Biswas
  • [gmx-users] use of " -t nvt.cpt" option in NPT equilibration   R.S.K.Vijayan
    • [gmx-users] use of " -t nvt.cpt" option in NPT equilibration   Justin Lemkul
  • [gmx-users] use of " -t nvt.cpt" option in NPT equilibration   Tsjerk Wassenaar
• [gmx-users] g_energy reporting 0.0000 interaction energy between energy groups in GPU run?   Leandro Bortot
  • [gmx-users] g_energy reporting 0.0000 interaction energy between energy groups in GPU run?   Justin Lemkul
    • [gmx-users] g_energy reporting 0.0000 interaction energy between energy groups in GPU run?   Leandro Bortot
• [gmx-users] Contact angle measurement on a flat surface   Kester Wong
  • [gmx-users] Contact angle measurement on a flat surface   Mark Abraham
    • [gmx-users] Contact angle measurement on a flat surface   Kester Wong
• [gmx-users] PBC problem in bilayer system   shahab shariati
• [gmx-users] 2D diagram   Andrei Neamtu
  • [gmx-users] 2D diagram   andrea
    • [gmx-users] 2D diagram   Andrei Neamtu
• [gmx-users] Ligand Virtual Sites   Oliver Schillinger
  • [gmx-users] Ligand Virtual Sites   Mark Abraham
• [gmx-users] gromacs in parallel   Marcela Madrid
• [gmx-users] Hyper-threading Gromacs 5.0.1   Johnny Lu
  • [gmx-users] Hyper-threading Gromacs 5.0.1   Johnny Lu
    • [gmx-users] Hyper-threading Gromacs 5.0.1   Johnny Lu
      • [gmx-users] Hyper-threading Gromacs 5.0.1   Johnny Lu
      • [gmx-users] Hyper-threading Gromacs 5.0.1   Carsten Kutzner
      • [gmx-users] Bond Energy question.   Dan Sponseller
      • [gmx-users] Bond Energy question.   Mark Abraham
      • [gmx-users] Hyper-threading Gromacs 5.0.1   Szilárd Páll
  • [gmx-users] Hyper-threading Gromacs 5.0.1   Mark Abraham
    • [gmx-users] Hyper-threading Gromacs 5.0.1   Johnny Lu
      • [gmx-users] Hyper-threading Gromacs 5.0.1   Johnny Lu
      • [gmx-users] Hyper-threading Gromacs 5.0.1   Johnny Lu
      • [gmx-users] Hyper-threading Gromacs 5.0.1   Johnny Lu
    • [gmx-users] Hyper-threading Gromacs 5.0.1   Szilárd Páll
• [gmx-users] PBC problem in bilayer system   shahab shariati
• [gmx-users] Exclude from [defaults] fudge values   Tamir Dingjan
• [gmx-users] itp file   Lovika Moudgil
• [gmx-users] using the pull code to constrain the COM of every molecule in a system   Nicholas J. Dunn
• [gmx-users] Principal axes of inertia and g_principal   nicola staffolani
  • [gmx-users] Principal axes of inertia and g_principal   Antonio Baptista
    • [gmx-users] Principal axes of inertia and g_principal   nicola staffolani
• [gmx-users] itp file   Lalita Shaki
  • [gmx-users] itp file   Lovika Moudgil
    • [gmx-users] itp file   Justin Lemkul
      • [gmx-users] itp file   Lovika Moudgil
• [gmx-users] PBC problem in bilayer system   shahab shariati
• [gmx-users] Net charge density distribution plots in GROMACS   soumadwip ghosh
  • [gmx-users] Net charge density distribution plots in GROMACS   João Henriques
• [gmx-users] PBC problem in bilayer system   shahab shariati
  • [gmx-users] PBC problem in bilayer system   Justin Lemkul
• [gmx-users] Net charge density distribution plots in GROMACS   soumadwip ghosh
  • [gmx-users] Net charge density distribution plots in GROMACS   João Henriques
• [gmx-users] increasing forces during energy minimization   Ingo Appenzeller
  • [gmx-users] increasing forces during energy minimization   Smith, Micholas D.
• [gmx-users] PBC problem in bilayer system   shahab shariati
  • [gmx-users] PBC problem in bilayer system   Justin Lemkul
• [gmx-users] Problems with the force field   jvissoto at fisica.ufpr.br
  • [gmx-users] Problems with the force field   Terry
    • [gmx-users] Problems with the force field   jvissoto at fisica.ufpr.br
• [gmx-users] Can I simulate heavy atoms in my system?   Batdorj Batsaikhan
  • [gmx-users] Can I simulate heavy atoms in my system?   Justin Lemkul
• [gmx-users] Regargding simulation of periodic silica surface   Sathish Kumar
  • [gmx-users] Regargding simulation of periodic silica surface   Mirco Wahab
• [gmx-users] (no subject)   Namita Singh
  • [gmx-users] (no subject)   Justin Lemkul
    • [gmx-users] (no subject)   Namita Singh
      • [gmx-users] (no subject)   Justin Lemkul
• [gmx-users] (no subject)   Namita Singh
  • [gmx-users] (no subject)   bipin singh
• [gmx-users] talk page on gromacs wiki   Johnny Lu
  • [gmx-users] talk page on gromacs wiki   Mark Abraham
    • [gmx-users] talk page on gromacs wiki   Johnny Lu
• [gmx-users] Regargding simulation of periodic silica surface   Mirco Wahab
• [gmx-users] Regargding simulation of periodic silica surface   Mirco Wahab
  • [gmx-users] Regargding simulation of periodic silica surface   Sathish Kumar
    • [gmx-users] Regargding simulation of periodic silica surface   Mirco Wahab
• [gmx-users] mpi/openmp setup to avoid #1578 on 5.0   Johnny Lu
  • [gmx-users] mpi/openmp setup to avoid #1578 on 5.0   Szilárd Páll
    • [gmx-users] mpi/openmp setup to avoid #1578 on 5.0   Johnny Lu
• [gmx-users] g_energy_d average   Johnny Lu
  • [gmx-users] g_energy_d average   Justin Lemkul
    • [gmx-users] g_energy_d average   Johnny Lu
• [gmx-users] Compiling GROMACS 4.5.6 in Cluster   Agnivo Gosai
  • [gmx-users] Compiling GROMACS 4.5.6 in Cluster   Justin Lemkul
• [gmx-users] gromacs.org_gmx-users Digest, Vol 125, Issue 59   Agnivo Gosai
• [gmx-users] Problem Compiling mdrun parallel version for GROMACS 4.5.6   Agnivo Gosai
  • [gmx-users] Problem Compiling mdrun parallel version for GROMACS 4.5.6   Johnny Lu
    • [gmx-users] Problem Compiling mdrun parallel version for GROMACS 4.5.6   Johnny Lu
• [gmx-users] PBC problem in bilayer system   shahab shariati
  • [gmx-users] PBC problem in bilayer system   Justin Lemkul
• [gmx-users] undefined symbol: TMPI_BYTE   Chandan Choudhury
  • [gmx-users] undefined symbol: TMPI_BYTE   Mark Abraham
    • [gmx-users] undefined symbol: TMPI_BYTE   Chandan Choudhury
      • [gmx-users] undefined symbol: TMPI_BYTE   Szilárd Páll
• [gmx-users] how can we restrain ion position?   Albert
  • [gmx-users] how can we restrain ion position?   Justin Lemkul
• [gmx-users] QM / MM assistance   Eric Smoll
  • [gmx-users] QM / MM assistance   Johnny Lu
    • [gmx-users] QM / MM assistance   Johnny Lu
      • [gmx-users] QM / MM assistance   Eric Smoll
      • [gmx-users] QM / MM assistance   Justin Lemkul
      • [gmx-users] QM / MM assistance   Eric Smoll
• [gmx-users] Martini force field - coarse grained protein tutorials   Sridhar Kumar Kannam
  • [gmx-users] Martini force field - coarse grained protein tutorials   Tsjerk Wassenaar
    • [gmx-users] Martini force field - coarse grained protein tutorials   Sridhar Kumar Kannam
• [gmx-users] PBC problem in bilayer system   shahab shariati
  • [gmx-users] PBC problem in bilayer system   Justin Lemkul
• [gmx-users] PBC problem in bilayer system   shahab shariati
  • [gmx-users] PBC problem in bilayer system   Justin Lemkul
• [gmx-users] PBC problem in bilayer system   shahab shariati
  • [gmx-users] PBC problem in bilayer system   Justin Lemkul
    • [gmx-users] PBC problem in bilayer system   Tsjerk Wassenaar
• [gmx-users] PBC problem in bilayer system   shahab shariati
  • [gmx-users] PBC problem in bilayer system   Justin Lemkul
• [gmx-users] how can we export protein without hydrogen?   Albert
  • [gmx-users] how can we export protein without hydrogen?   Justin Lemkul
• [gmx-users] Does Gmx 5.0 on GPUs support CMAP in Charmm?   Steven Neumann
  • [gmx-users] Does Gmx 5.0 on GPUs support CMAP in Charmm?   Mark Abraham
    • [gmx-users] Does Gmx 5.0 on GPUs support CMAP in Charmm?   Steven Neumann
      • [gmx-users] Does Gmx 5.0 on GPUs support CMAP in Charmm?   Mark Abraham
      • [gmx-users] Does Gmx 5.0 on GPUs support CMAP in Charmm?   Justin Lemkul
      • [gmx-users] Does Gmx 5.0 on GPUs support CMAP in Charmm?   Steven Neumann
      • [gmx-users] Does Gmx 5.0 on GPUs support CMAP in Charmm?   Steven Neumann
      • [gmx-users] Does Gmx 5.0 on GPUs support CMAP in Charmm?   Justin Lemkul
      • [gmx-users] Does Gmx 5.0 on GPUs support CMAP in Charmm?   Mark Abraham
• [gmx-users] Running Free enrgy simulation for ionic molecules   vivek sharma
• [gmx-users] graph rmsd and rmsf(backbone)   RINU KHATTRI
  • [gmx-users] graph rmsd and rmsf(backbone)   Justin Lemkul
• [gmx-users] PBC problem in bilayer system   shahab shariati
  • [gmx-users] PBC problem in bilayer system   Justin Lemkul
• [gmx-users] interpretation of g_potential   soumadwip ghosh
• [gmx-users] g_tune_pme crashes in 5.0.1   Oliver Schillinger
  • [gmx-users] g_tune_pme crashes in 5.0.1   Mark Abraham
    • [gmx-users] g_tune_pme crashes in 5.0.1   Oliver Schillinger
• [gmx-users] angle definitions ga_ ? gromos53a6   Despoina Tzeli
  • [gmx-users] angle definitions ga_ ? gromos53a6   Justin Lemkul
    • [gmx-users] angle definitions ga_ ? gromos53a6   Despoina Tzeli
• [gmx-users] performance question   Michael Brunsteiner
• [gmx-users] Unit/Regression Testing on Xeon Phi?   Paul Caheny
• [gmx-users] PBC problem in bilayer system   shahab shariati
  • [gmx-users] PBC problem in bilayer system   Justin Lemkul
• [gmx-users] the growth of the molecule   Александр Селютин
  • [gmx-users] the growth of the molecule   Smith, Micholas D.
  • [gmx-users] the growth of the molecule   Dr. Vitaly Chaban
    • [gmx-users] the growth of the molecule   Smith, Micholas D.
      • [gmx-users] the growth of the molecule   Tamas Karpati
      • [gmx-users] the growth of the molecule   Александр Селютин
      • [gmx-users] the growth of the molecule   Justin Lemkul
      • [gmx-users] the growth of the molecule   Rasoul Nasiri
      • [gmx-users] the growth of the molecule   Jakub Krajniak
• [gmx-users] precision of mixed precision   Johnny Lu
  • [gmx-users] precision of mixed precision   Mark Abraham
• [gmx-users] PBC problem in bilayer system   shahab shariati
  • [gmx-users] PBC problem in bilayer system   Justin Lemkul
• [gmx-users] Query regarding performance varies hugely in two similar systems   Mousumi Bhattacharyya
  • [gmx-users] FW: Query regarding performance varies hugely in two similar systems   Mousumi Bhattacharyya
• [gmx-users] Temperature coupling of two-phase system   朱文鹏
  • [gmx-users] Temperature coupling of two-phase system   Erik Marklund
• [gmx-users] About .rtp File   Mohd Farid Ismail
  • [gmx-users] About .rtp File   João Martins
    • [gmx-users] About .rtp File   Mohd Farid Ismail
      • [gmx-users] About .rtp File   João Martins
      • [gmx-users] About .rtp File   Mohd Farid Ismail
      • [gmx-users] About .rtp File   Mark Abraham
      • [gmx-users] About .rtp File   Mohd Farid Ismail
• [gmx-users] Converting TIPS3P model to SWM4-NDP model   Kester Wong
  • [gmx-users] Converting TIPS3P model to SWM4-NDP model   Justin Lemkul
    • [gmx-users] Converting TIPS3P model to SWM4-NDP model   Kester Wong
      • [gmx-users] Converting TIPS3P model to SWM4-NDP model   Justin Lemkul
      • [gmx-users] Converting TIPS3P model to SWM4-NDP model   Kester Wong
      • [gmx-users] Converting TIPS3P model to SWM4-NDP model   Justin Lemkul
• [gmx-users] Compatibility of Files Between Version, Precision, and Compilation   Johnny Lu
  • [gmx-users] Compatibility of Files Between Version, Precision, and Compilation   Mark Abraham
    • [gmx-users] Compatibility of Files Between Version, Precision, and Compilation   Johnny Lu
      • [gmx-users] Compatibility of Files Between Version, Precision, and Compilation   Johnny Lu
      • [gmx-users] Compatibility of Files Between Version, Precision, and Compilation   Mark Abraham
      • [gmx-users] Compatibility of Files Between Version, Precision, and Compilation   Johnny Lu
      • [gmx-users] Compatibility of Files Between Version, Precision, and Compilation   Johnny Lu
      • [gmx-users] Compatibility of Files Between Version, Precision, and Compilation   Mark Abraham
      • [gmx-users] Compatibility of Files Between Version, Precision, and Compilation   Mark Abraham
• [gmx-users] GPU waits for CPU, any remedies?   Michael Brunsteiner
  • [gmx-users] GPU waits for CPU, any remedies?   Szilárd Páll
• [gmx-users] trjconv -s   xy21hb
  • [gmx-users] trjconv -s   Mark Abraham
    • [gmx-users] trjconv -s   xy21hb
      • [gmx-users] trjconv -s   Chandan Choudhury
      • [gmx-users] trjconv -s   Samuel Bowerman
      • [gmx-users] trjconv -s   xy21hb
      • [gmx-users] trjconv -s   Samuel Bowerman
• [gmx-users] GPU waits for CPU, any remedies?   Szilárd Páll
  • [gmx-users] GPU waits for CPU, any remedies?   Michael Brunsteiner
    • [gmx-users] GPU waits for CPU, any remedies?   Szilárd Páll
      • [gmx-users] GPU waits for CPU, any remedies?   Michael Brunsteiner
      • [gmx-users] GPU waits for CPU, any remedies?   Szilárd Páll
• [gmx-users] Help: protein-membrane docking   LIPSCOMB, THOMAS
  • [gmx-users] Help: protein-membrane docking   Justin Lemkul
• [gmx-users] Obtaining coordinates of atoms from trajectory file.   Dawid das
  • [gmx-users] Obtaining coordinates of atoms from trajectory file.   Justin Lemkul
• [gmx-users] ngmx removed in 5.0.1?   Kevin Chen
  • [gmx-users] ngmx removed in 5.0.1?   Mark Abraham
• [gmx-users] g_energy -vis Question, Bug #1516   Cantu, David
  • [gmx-users] g_energy -vis Question, Bug #1516   Mark Abraham
• [gmx-users] Converting multiple crystal structure PDB's into .xtc file   Michael Carter
  • [gmx-users] Converting multiple crystal structure PDB's into .xtc file   Tsjerk Wassenaar
    • [gmx-users] Converting multiple crystal structure PDB's into .xtc file   Michael Carter
• [gmx-users] distance tracking   h.alizadeh at znu.ac.ir
  • [gmx-users] distance tracking   Justin Lemkul
• [gmx-users] Regarding error in grompp while running the tutorial of " KALP15 in DPPC "   Anurag Dobhal
  • [gmx-users] Regarding error in grompp while running the tutorial of " KALP15 in DPPC "   Justin Lemkul
• [gmx-users] Regarding error in grompp while running the tutorial of " KALP15 in DPPC "   Anurag Dobhal
• [gmx-users] sequence of atoms different for rmsd reference structure   gromacs query
  • [gmx-users] sequence of atoms different for rmsd reference structure   Tsjerk Wassenaar
• [gmx-users] Position restrain   Riccardo Concu
• [gmx-users] g_energy -vis Question, Bug #1516   Cantu, David
• [gmx-users] membrane protein simulation - errors   Yunlong Liu
  • [gmx-users] membrane protein simulation - errors   Justin Lemkul
    • [gmx-users] 答复: membrane protein simulation - errors   Yunlong Liu
      • [gmx-users] 答复: membrane protein simulation - errors   Justin Lemkul
• [gmx-users] Umbrella samplling   Sathish Kumar
  • [gmx-users] Umbrella samplling   Justin Lemkul
• [gmx-users] Hello Regarding Lincs error   Ujwala Patil
  • [gmx-users] Hello Regarding Lincs error   RINU KHATTRI
    • [gmx-users] Hello Regarding Lincs error   Justin Lemkul
      • [gmx-users] Hello Regarding Lincs error   RINU KHATTRI
      • [gmx-users] Hello Regarding Lincs error   Justin Lemkul
  • [gmx-users] Hello Regarding Lincs error   Justin Lemkul
• [gmx-users] Problem with: Shell particles are not implemented with domain decomposition   Kester Wong
  • [gmx-users] Problem with: Shell particles are not implemented with domain decomposition   Mark Abraham
    • [gmx-users] Problem with: Shell particles are not implemented with domain de   Kester Wong
  • [gmx-users] Problem with: Shell particles are not implemented with domain decomposition   Justin Lemkul
    • [gmx-users] Problem with: Shell particles are not implemented with domain decomposition   David van der Spoel
      • [gmx-users] Problem with: Shell particles are not implemented with domain decomposition   Justin Lemkul
      • [gmx-users] Problem with: Shell particles are not implemented with domain de   Kester Wong
• [gmx-users] trjconv pbc options   pratibha kapoor
  • [gmx-users] trjconv pbc options   Justin Lemkul
    • [gmx-users] trjconv pbc options   Tsjerk Wassenaar
      • [gmx-users] trjconv pbc options   RINU KHATTRI
      • [gmx-users] trjconv pbc options   Tsjerk Wassenaar
• [gmx-users] RDF analysis with respect to center of mass of Protein   Carlos Navarro Retamal
  • [gmx-users] RDF analysis with respect to center of mass of Protein   Justin Lemkul
    • [gmx-users] RDF analysis with respect to center of mass of rotein   Carlos Navarro Retamal
      • [gmx-users] RDF analysis with respect to center of mass of rotein   Justin Lemkul
      • [gmx-users] RDF analysis with respect to center of mass of otein   Carlos Navarro Retamal
      • [gmx-users] RDF analysis with respect to center of mass of otein   Justin Lemkul
      • [gmx-users] RDF analysis with respect to center of mass of otein   Carlos Navarro Retamal
      • [gmx-users] RDF analysis with respect to center of mass of otein   Justin Lemkul
      • [gmx-users] RDF analysis with respect to center of mass of otein   Carlos Navarro Retamal
      • [gmx-users] RDF analysis with respect to center of mass of otein   Justin Lemkul
      • [gmx-users] RDF analysis with respect to center of mass of otein   Marcelo Depólo
      • [gmx-users] RDF analysis with respect to center of mass of otein   Carlos Navarro Retamal
• [gmx-users] Some Scaling of 5.0 Results   Dallas Warren
  • [gmx-users] Some Scaling of 5.0 Results   Mark Abraham
    • [gmx-users] Some Scaling of 5.0 Results   Szilárd Páll
      • [gmx-users] Some Scaling of 5.0 Results   Dallas Warren
    • [gmx-users] Some Scaling of 5.0 Results   Dallas Warren
      • [gmx-users] Some Scaling of 5.0 Results   Mark Abraham
• [gmx-users] Problem with: Shell particles are not implemented with domain de   Kester Wong
• [gmx-users] How are the clusters of particles created?   Theodore Si
  • [gmx-users] How are the clusters of particles created?   Mark Abraham
• [gmx-users] On what scale will simulation with PME-dedicated nodes perform better?   Theodore Si
  • [gmx-users] On what scale will simulation with PME-dedicated nodes perform better?   Mark Abraham
• [gmx-users] two new releases of PLUMED   Carlo Camilloni
• [gmx-users] force   xiexiaobin at sjtu.edu.cn
  • [gmx-users] force   Mark Abraham
    • [gmx-users] force   xiexiaobin at sjtu.edu.cn
      • [gmx-users] force   Szilárd Páll
• [gmx-users] force   xiexiaobin at sjtu.edu.cn
• [gmx-users] make_ndx bug?   gromacs query
  • [gmx-users] make_ndx bug?   Justin Lemkul
    • [gmx-users] make_ndx bug?   gromacs query
      • [gmx-users] make_ndx bug?   Justin Lemkul
      • [gmx-users] make_ndx bug?   gromacs query
• [gmx-users] Restart Arbitrary Frame & Thermostat.   Johnny Lu
  • [gmx-users] Restart Arbitrary Frame & Thermostat.   Mark Abraham
    • [gmx-users] Restart Arbitrary Frame & Thermostat.   Johnny Lu
      • [gmx-users] Restart Arbitrary Frame & Thermostat.   Mark Abraham
      • [gmx-users] Restart Arbitrary Frame & Thermostat.   Johnny Lu
      • [gmx-users] Restart Arbitrary Frame & Thermostat.   Johnny Lu
      • [gmx-users] Restart Arbitrary Frame & Thermostat.   Mark Abraham
• [gmx-users] strange behaviour of gmx solvent with non standard solvent   Sridhar Kumar Kannam
• [gmx-users] umbrella sampling   susanta haldar
  • [gmx-users] umbrella sampling   Erik Marklund
• [gmx-users] regarding gromacs installation   Anurag Dobhal
  • [gmx-users] regarding gromacs installation   Justin Lemkul
• [gmx-users] Different energies of GPU and CPU-only runs with Gromacs 5.x   Machtens, Jan-Philipp
  • [gmx-users] Different energies of GPU and CPU-only runs with Gromacs 5.x   Mark Abraham
    • [gmx-users] Different energies of GPU and CPU-only runs with Gromacs 5.x   Machtens, Jan-Philipp
      • [gmx-users] Different energies of GPU and CPU-only runs with Gromacs 5.x   Mark Abraham
      • [gmx-users] Different energies of GPU and CPU-only runs with Gromacs 5.x   Johnny Lu
      • [gmx-users] Different energies of GPU and CPU-only runs with Gromacs 5.x   Machtens, Jan-Philipp
• [gmx-users] Regarding error in grompp while running the tutorial of " KALP15 in DPPC "   Anurag Dobhal
  • [gmx-users] Regarding error in grompp while running the tutorial of " KALP15 in DPPC "   Justin Lemkul
• [gmx-users] profiler   xiexiaobin at sjtu.edu.cn
  • [gmx-users] profiler   Szilárd Páll
• [gmx-users] How to rolled up a polymer chain   marcello cammarata
  • [gmx-users] I: How to rolled up a polymer chain   marcello cammarata
    • [gmx-users] I: How to rolled up a polymer chain   Justin Lemkul
    • [gmx-users] I: How to rolled up a polymer chain   Sathish Kumar
      • [gmx-users] I: How to rolled up a polymer chain   Johnny Lu
    • [gmx-users] I: How to rolled up a polymer chain   Mohd Farid Ismail
      • [gmx-users] I: How to rolled up a polymer chain   marcello cammarata
      • [gmx-users] I: How to rolled up a polymer chain   Johnny Lu
      • [gmx-users] I: How to rolled up a polymer chain   marcello cammarata
      • [gmx-users] I: How to rolled up a polymer chain   Dallas Warren
      • [gmx-users] I: How to rolled up a polymer chain   Justin Lemkul
• [gmx-users] gromacs error   Yaser Hosseini
  • [gmx-users] gromacs error   Justin Lemkul
• [gmx-users] can we do FEP MAPPER calculation in Gromacs?   Albert
• [gmx-users] MD analysis   Anu Chandran
  • [gmx-users] MD analysis   Justin Lemkul
• [gmx-users] Commands to run simulations using multiple GPU's in version 5.0.1   Siva Dasetty
  • [gmx-users] Commands to run simulations using multiple GPU's in version 5.0.1   Johnny Lu
    • [gmx-users] Commands to run simulations using multiple GPU's in version 5.0.1   Siva Dasetty
      • [gmx-users] Commands to run simulations using multiple GPU's in version 5.0.1   Johnny Lu
      • [gmx-users] Commands to run simulations using multiple GPU's in version 5.0.1   Johnny Lu
      • [gmx-users] Commands to run simulations using multiple GPU's in version 5.0.1   Siva Dasetty
      • [gmx-users] Commands to run simulations using multiple GPU's in version 5.0.1   Szilárd Páll
      • [gmx-users] Commands to run simulations using multiple GPU's in version 5.0.1   Johnny Lu
      • [gmx-users] Commands to run simulations using multiple GPU's in version 5.0.1   Johnny Lu
• [gmx-users] Electrostatic energy between two groups of atoms   h.alizadeh at znu.ac.ir
  • [gmx-users] Electrostatic energy between two groups of atoms   Justin Lemkul
• [gmx-users] non-bonded F kernel   xiexiaobin at sjtu.edu.cn
• [gmx-users] TIGER2 implementation in GROMACS   João Henriques
  • [gmx-users] TIGER2 implementation in GROMACS   Mark Abraham
    • [gmx-users] TIGER2 implementation in GROMACS   João Henriques
      • [gmx-users] TIGER2 implementation in GROMACS   João M. Damas
• [gmx-users] g_dos -n   xy21hb
• [gmx-users] Compile and Run on Xsede   Johnny Lu
  • [gmx-users] Compile and Run on Xsede   Justin Lemkul
    • [gmx-users] Compile and Run on Xsede   Johnny Lu
• [gmx-users] conversion of the AMBER parameters to GROMACS with negative barrier height values   ABEL Stephane 175950
  • [gmx-users] conversion of the AMBER parameters to GROMACS with negative barrier height values   Justin Lemkul
    • [gmx-users] conversion of the AMBER parameters to GROMACS with negative barrier height values   Tamir Dingjan
• [gmx-users] process_top   Anton Feenstra
• [gmx-users] g_dos -n   xy21hb
  • [gmx-users] g_dos -n   David van der Spoel
• [gmx-users] pbc=z, applying pbc only along the z-direction   Sridhar Kumar Kannam
• [gmx-users] log file question   xiexiaobin at sjtu.edu.cn
• [gmx-users] which item is gpu wait for cpu?   xiexiaobin at sjtu.edu.cn
  • [gmx-users] which item is gpu wait for cpu?   Szilárd Páll
    • [gmx-users] which item is gpu wait for cpu?   xiexiaobin at sjtu.edu.cn
      • [gmx-users] which item is gpu wait for cpu?   Mark Abraham
      • [gmx-users] which item is gpu wait for cpu?   Theodore Si
      • [gmx-users] which item is gpu wait for cpu?   Mark Abraham
• [gmx-users] How can I select a group number automatically   Xiaobin Cao
  • [gmx-users] How can I select a group number automatically   Chandan Choudhury
    • [gmx-users] How can I select a group number automatically   Erik Marklund
• [gmx-users] the average structure in pdb format   Mahboobeh Eslami
• [gmx-users] (no subject)   Mahboobeh Eslami
  • [gmx-users] (no subject)   Erik Marklund
• [gmx-users] g_hbond -shell option   Thomas Evangelidis
• [gmx-users] 4.6.7 can't get regression test.   Johnny Lu
  • [gmx-users] 4.6.7 can't get regression test.   Johnny Lu
• [gmx-users] error in running pdb2gmx   Yaser Hosseini
• [gmx-users] Box Vectors in .gro file   Hardy, Adam
  • [gmx-users] Box Vectors in .gro file   Johnny Lu
• [gmx-users] How can I select a group number automatically   Xiaobin Cao
  • [gmx-users] How can I select a group number automatically   Mark Abraham
• [gmx-users] g_velacc g_dos not match!   xy21hb
• [gmx-users] apoenzyme wanted   N. S.
  • [gmx-users] apoenzyme wanted   Justin Lemkul
• [gmx-users] Different cutoffs for different interactions?   Aranha, Michelle
  • [gmx-users] Different cutoffs for different interactions?   Justin Lemkul
• [gmx-users] Using a 4.6.5 cpt file in 5.0 to extend a run?   Nathan Scott
  • [gmx-users] Using a 4.6.5 cpt file in 5.0 to extend a run?   Mark Abraham
    • [gmx-users] Using a 4.6.5 cpt file in 5.0 to extend a run?   Nathan Scott
      • [gmx-users] Using a 4.6.5 cpt file in 5.0 to extend a run?   Johnny Lu
      • [gmx-users] Using a 4.6.5 cpt file in 5.0 to extend a run?   Mark Abraham
• [gmx-users] Can I calculate free energy of Tutorial 1 of Justin's tutorials?   Batdorj Batsaikhan
  • [gmx-users] Can I calculate free energy of Tutorial 1 of Justin's tutorials?   Justin Lemkul
• [gmx-users] Different fudge scaling against the default ones   Chandan Choudhury
  • [gmx-users] Different fudge scaling against the default ones   Mark Abraham
• [gmx-users] I: How to rolled up a polymer chain   marcello cammarata
  • [gmx-users] I: How to rolled up a polymer chain   Justin Lemkul
• [gmx-users] does gromacs-4.6 support intel core Quad Q9550 cpu?   Vedat Durmaz
  • [gmx-users] does gromacs-4.6 support intel core Quad Q9550 cpu?   Mirco Wahab
    • [gmx-users] does gromacs-4.6 support intel core Quad Q9550 cpu?   Vedat Durmaz
  • [gmx-users] does gromacs-4.6 support intel core Quad Q9550 cpu?   Mark Abraham
    • [gmx-users] does gromacs-4.6 support intel core Quad Q9550 cpu?   Vedat Durmaz
      • [gmx-users] does gromacs-4.6 support intel core Quad Q9550 cpu?   Mark Abraham
      • [gmx-users] does gromacs-4.6 support intel core Quad Q9550 cpu?   Vedat Durmaz
      • [gmx-users] does gromacs-4.6 support intel core Quad Q9550 cpu?   Mark Abraham
• [gmx-users] performance 1 gpu   Johnny Lu
  • [gmx-users] performance 1 gpu   Szilárd Páll
• [gmx-users] gromacs-4.6.5 topol file error   Yaser Hosseini
  • [gmx-users] gromacs-4.6.5 topol file error   Justin Lemkul
    • [gmx-users] gromacs-4.6.5 topol file error   yaser
      • [gmx-users] gromacs-4.6.5 topol file error   Justin Lemkul
      • [gmx-users] gromacs-4.6.5 topol file error   Yaser Hosseini
• [gmx-users] g_tune_pme_mpi is not compatible to mdrun_mpi   Ebert Maximilian
  • [gmx-users] g_tune_pme_mpi is not compatible to mdrun_mpi   Carsten Kutzner
    • [gmx-users] g_tune_pme_mpi is not compatible to mdrun_mpi   Ebert Maximilian
      • [gmx-users] g_tune_pme_mpi is not compatible to mdrun_mpi   Carsten Kutzner
      • [gmx-users] g_tune_pme_mpi is not compatible to mdrun_mpi   Ebert Maximilian
      • [gmx-users] g_tune_pme_mpi is not compatible to mdrun_mpi   Carsten Kutzner
      • [gmx-users] g_tune_pme_mpi is not compatible to mdrun_mpi   Mark Abraham
      • [gmx-users] g_tune_pme_mpi is not compatible to mdrun_mpi   Carsten Kutzner
      • [gmx-users] g_tune_pme_mpi is not compatible to mdrun_mpi   Mark Abraham
      • [gmx-users] g_tune_pme_mpi is not compatible to mdrun_mpi   Carsten Kutzner
      • [gmx-users] g_tune_pme_mpi is not compatible to mdrun_mpi   Ebert Maximilian
      • [gmx-users] g_tune_pme_mpi is not compatible to mdrun_mpi   Carsten Kutzner
• [gmx-users] Coordinate File and Origin in Gromacs // Separating Bilayer Leaflets   Neha Shafique
  • [gmx-users] Coordinate File and Origin in Gromacs // Separating Bilayer Leaflets   Justin Lemkul
• [gmx-users] gromacs command grompp error   Yaser Hosseini
  • [gmx-users] gromacs command grompp error   Justin Lemkul
  • [gmx-users] gromacs command grompp error   Yaser Hosseini
    • [gmx-users] gromacs command grompp error   Justin Lemkul
• [gmx-users] How can I select a group number automatically   Xiaobin Cao
• [gmx-users] "Warning: For efficient BFGS minimization, use shift/switch/PME instead of cut-off"   GAYATHRI S
  • [gmx-users] "Warning: For efficient BFGS minimization, use shift/switch/PME instead of cut-off"   Justin Lemkul
• [gmx-users] extracting from TRR   N. S.
  • [gmx-users] extracting from TRR   Justin Lemkul
    • [gmx-users] extracting from TRR   niyaz.sabir
      • [gmx-users] extracting from TRR   Matthias Ernst
      • [gmx-users] extracting from TRR   niyaz.sabir
• [gmx-users] HELP: g_velacc g_dos not match   xy21hb
  • [gmx-users] HELP: g_velacc g_dos not match   David van der Spoel
• [gmx-users] grompp help   Yaser Hosseini
  • [gmx-users] grompp help   Justin Lemkul
    • [gmx-users] grompp help   yaser
      • [gmx-users] grompp help   Justin Lemkul
      • [gmx-users] grompp help   yaser
  • [gmx-users] grompp help   Charles Li
• [gmx-users] GROM v0.6 Release Notes   Hovakim Grabski
• [gmx-users] FEP residue mutation tutorial   Carlos Navarro Retamal
• [gmx-users] position restrains while pull simulation   shivangi nangia
  • [gmx-users] position restrains while pull simulation   Tsjerk Wassenaar
  • [gmx-users] position restrains while pull simulation   Justin Lemkul
    • [gmx-users] position restrains while pull simulation   shivangi nangia
      • [gmx-users] position restrains while pull simulation   Justin Lemkul
      • [gmx-users] position restrains while pull simulation   shivangi nangia
      • [gmx-users] position restrains while pull simulation   Justin Lemkul
      • [gmx-users] position restrains while pull simulation   shivangi nangia
• [gmx-users] Calculation Excess Chemical Potential of Bulk Water   Kim Q Hwan
  • [gmx-users] Calculation Excess Chemical Potential of Bulk Water   Justin Lemkul
    • [gmx-users] Calculation Excess Chemical Potential of Bulk Water   Kim Q Hwan
• [gmx-users] Over Clocking CPU on GROMACS   Nizar
• [gmx-users] On the ussing of different equilibration protocols in NPT   James Starlight
  • [gmx-users] On the ussing of different equilibration protocols in NPT   Justin Lemkul
    • [gmx-users] On the ussing of different equilibration protocols in NPT   James Starlight
      • [gmx-users] On the ussing of different equilibration protocols in NPT   Justin Lemkul
• [gmx-users] Question about n-linked glycans   Mikhail Yustanov
  • [gmx-users] Question about n-linked glycans   bipin singh
  • [gmx-users] Question about n-linked glycans   Justin Lemkul
• [gmx-users] How to compute self diffusivities when the xtc trajectory file contains only a subset of atoms   rocwhite168
  • [gmx-users] How to compute self diffusivities when the xtc trajectory file contains only a subset of atoms   Mark Abraham
    • [gmx-users] How to compute self diffusivities when the xtc trajectory file contains only a subset of atoms   rocwhite168
      • [gmx-users] How to compute self diffusivities when the xtc trajectory file contains only a subset of atoms   Mark Abraham
      • [gmx-users] How to compute self diffusivities when the xtc trajectory file contains only a subset of atoms   rocwhite168
      • [gmx-users] How to compute self diffusivities when the xtc trajectory file contains only a subset of atoms   Mark Abraham
      • [gmx-users] How to compute self diffusivities when the xtc trajectory file contains only a subset of atoms   rocwhite168
• [gmx-users] Regarding siRNA simulation.   Anurag Dobhal
  • [gmx-users] Regarding siRNA simulation.   Justin Lemkul
• [gmx-users] Regarding GROMACS Tutorial "KALP15 in DPPC"   Anurag Dobhal
  • [gmx-users] Regarding GROMACS Tutorial "KALP15 in DPPC"   Anurag Dobhal
    • [gmx-users] Regarding GROMACS Tutorial "KALP15 in DPPC"   Anurag Dobhal
      • [gmx-users] Regarding GROMACS Tutorial "KALP15 in DPPC"   Justin Lemkul
      • [gmx-users] Regarding GROMACS Tutorial "KALP15 in DPPC"   Anurag Dobhal
      • [gmx-users] Regarding GROMACS Tutorial "KALP15 in DPPC"   Justin Lemkul
• [gmx-users] Calculating the flow of water through a surface   akari karin
• [gmx-users] Add missing residue   Nizar Masbukhin
  • [gmx-users] Add missing residue   Mark Abraham
    • [gmx-users] Add missing residue   Johnny Lu
      • [gmx-users] Add missing residue   Nizar Masbukhin
    • [gmx-users] Add missing residue   Nizar Masbukhin
• [gmx-users] Question about n-linked glycans   Laercio Pol Fachin
• [gmx-users] installation and running gromacs on windows   marcello cammarata
  • [gmx-users] installation and running gromacs on windows   Mark Abraham
• [gmx-users] AMBER FF naming and caps   Ebert Maximilian
  • [gmx-users] AMBER FF naming and caps   Justin Lemkul
    • [gmx-users] AMBER FF naming and caps   Ebert Maximilian
• [gmx-users] Problem with constraints in NVT calculations.   Kester Wong
  • [gmx-users] Problem with constraints in NVT calculations.   Justin Lemkul
• [gmx-users] Performance of GTX 980 and 970   Pappu Kumar
  • [gmx-users] Performance of GTX 980 and 970   Mirco Wahab
    • [gmx-users] Performance of GTX 980 and 970   Szilárd Páll
      • [gmx-users] Performance of GTX 980 and 970   Carsten Kutzner
      • [gmx-users] Performance of GTX 980 and 970   Szilárd Páll
• [gmx-users] Regarding Umbrella samplling   Sathish Kumar
  • [gmx-users] Fwd: Regarding Umbrella samplling   Sathish Kumar
  • [gmx-users] Regarding Umbrella samplling   Justin Lemkul
• [gmx-users] Performance of GTX 980 and 970   Pappu Kumar
  • [gmx-users] Performance of GTX 980 and 970   Szilárd Páll
• [gmx-users] g_tune_pme and verlet   Åke Sandgren
  • [gmx-users] g_tune_pme and verlet   Carsten Kutzner
    • [gmx-users] g_tune_pme and verlet   Åke Sandgren
      • [gmx-users] g_tune_pme and verlet   Mark Abraham
      • [gmx-users] g_tune_pme and verlet   Åke Sandgren
• [gmx-users] QHA Entropy Error?   Daniel Margul
• [gmx-users] minimization for final configuration   Mahboobeh Eslami
  • [gmx-users] minimization for final configuration   Justin Lemkul
    • [gmx-users] minimization for final configuration   Dr. Vitaly Chaban
    • [gmx-users] Fw: minimization for final configuration   Mahboobeh Eslami
      • [gmx-users] Fw: minimization for final configuration   Justin Lemkul
• [gmx-users] regarding GROMACS Tutorial KALP15 in DPPC   Anurag Dobhal
  • [gmx-users] regarding GROMACS Tutorial KALP15 in DPPC   Justin Lemkul
    • [gmx-users] regarding GROMACS Tutorial KALP15 in DPPC   Anurag Dobhal
      • [gmx-users] regarding GROMACS Tutorial KALP15 in DPPC   Justin Lemkul
      • [gmx-users] regarding GROMACS Tutorial KALP15 in DPPC   Anurag Dobhal
      • [gmx-users] regarding GROMACS Tutorial KALP15 in DPPC   Justin Lemkul
• [gmx-users] potassium ion in GROMOS   h.alizadeh at znu.ac.ir
  • [gmx-users] potassium ion in GROMOS   Justin Lemkul
• [gmx-users] Problems installing Gromacs 5.0.1   Claudia Fernandes
  • [gmx-users] Problems installing Gromacs 5.0.1   Mohd Farid Ismail
  • [gmx-users] Problems installing Gromacs 5.0.1   Mark Abraham
• [gmx-users] watrebox with osmolites   niyaz.sabir
  • [gmx-users] watrebox with osmolites   Justin Lemkul
    • [gmx-users] watrebox with osmolites   niyaz.sabir

Last message date: Tue Sep 30 23:40:03 CEST 2014
Archived on: Tue Sep 30 23:40:05 CEST 2014

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