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• • Re: [gmx-users] There is no domain decomposition for 16 nodes that is compatible with the given box and a minimum cell size of 0.826223 nm Trayder Thomas
  • Re: [gmx-users] There is no domain decomposition for 16 nodes that is compatible with the given box and a minimum cell size of 0.826223 nm Nilesh Dhumal
  • Re: [gmx-users] There is no domain decomposition for 16 nodes that is compatible with the given box and a minimum cell size of 0.826223 nm Mark Abraham
• [gmx-users] Gibbs Energy Calculation and charges Dallas Warren
  • [gmx-users] RE: Gibbs Energy Calculation and charges Dallas Warren
  • [gmx-users] Gibbs Energy Calculation and charges Christopher Neale
  • [gmx-users] RE: Gibbs Energy Calculation and charges Dallas Warren
  • [gmx-users] Gibbs Energy Calculation and charges Christopher Neale
  • [gmx-users] RE: Gibbs Energy Calculation and charges Dallas Warren
  • [gmx-users] RE: Gibbs Energy Calculation and charges Dallas Warren
  • [gmx-users] RE: Gibbs Energy Calculation and charges Dallas Warren
  • Re: [gmx-users] RE: Gibbs Energy Calculation and charges Michael Shirts
  • RE: [gmx-users] RE: Gibbs Energy Calculation and charges Dallas Warren
  • Re: [gmx-users] RE: Gibbs Energy Calculation and charges Michael Shirts
  • RE: [gmx-users] RE: Gibbs Energy Calculation and charges Dallas Warren
  • [gmx-users] Gibbs Energy Calculation and charges Christopher Neale
  • [gmx-users] RE: Gibbs Energy Calculation and charges Dallas Warren
• [gmx-users] Is the website of Martini Force Field down for maintenance? 朱文鹏
  • Re: [gmx-users] Is the website of Martini Force Field down for maintenance? Justin Lemkul
  • Re: [gmx-users] Is the website of Martini Force Field down for maintenance? XAvier Periole
• [gmx-users] KALP-15 in DPPC tutorial Sathya
  • Re: [gmx-users] KALP-15 in DPPC tutorial Justin Lemkul
• [gmx-users] Constraint bonds and contribution to pressure Chrisostomos Batistakis
• [gmx-users] Re: gro file formate error Justin Lemkul
• [gmx-users] Centering the system Shima Arasteh
  • Re: [gmx-users] Centering the system Justin Lemkul
  • Re: [gmx-users] Centering the system Shima Arasteh
  • Re: [gmx-users] Centering the system Justin Lemkul
  • Re: [gmx-users] Centering the system Андрей Гончар
• [gmx-users] Re: [gmx-developers] v4.6.3: cmake-stage error at CMakeLists.txt:102 Mark Abraham
  • [gmx-users] Re: [gmx-developers] v4.6.3: cmake-stage error at CMakeLists.txt:102 Nikolay Alemasov
  • Re: [gmx-users] Re: [gmx-developers] v4.6.3: cmake-stage error at CMakeLists.txt:102 Mark Abraham
  • Re: [gmx-users] Re: [gmx-developers] v4.6.3: cmake-stage error at CMakeLists.txt:102 Nikolay Alemasov
  • Re: [gmx-users] Re: [gmx-developers] v4.6.3: cmake-stage error at CMakeLists.txt:102 Nikolay Alemasov
• [gmx-users] topology file of ligand sunyeping
  • Re: [gmx-users] topology file of ligand Justin Lemkul
  • 答复: [gmx-users] topology file of ligand sunyeping
  • Re: 答复: [gmx-users] topology file of ligand Justin Lemkul
• [gmx-users] recalculating .trr from .xtc Leandro Bortot
  • Re: [gmx-users] recalculating .trr from .xtc Justin Lemkul
  • Re: [gmx-users] recalculating .trr from .xtc Mark Abraham
  • Re: [gmx-users] recalculating .trr from .xtc XAvier Periole
• [gmx-users] LJ - SR and Coulbom - SR mdp options Steven Neumann
  • Re: [gmx-users] LJ - SR and Coulbom - SR mdp options Justin Lemkul
• [gmx-users] problem in NPT equilibration step Preeti Choudhary
  • Re: [gmx-users] problem in NPT equilibration step Baptiste Demoulin
  • Re: [gmx-users] problem in NPT equilibration step srinathchowdary
  • Re: [gmx-users] problem in NPT equilibration step Mark Abraham
• [gmx-users] Wall option with 12-6 LJ Yutian Yang
• [gmx-users] g_sham pratibha kapoor
  • Re: [gmx-users] g_sham Justin Lemkul
  • Aw: [gmx-users] g_sham lloyd riggs
• [gmx-users] Re: Steered MD Thomas Schlesier
• [gmx-users] KALP in DPPC tutorial reg Sathya
  • Re: [gmx-users] KALP in DPPC tutorial reg Justin Lemkul
  • [gmx-users] KALP in DPPC tutorial reg Sathya
  • Re: [gmx-users] KALP in DPPC tutorial reg Justin Lemkul
• [gmx-users] Number of ligand contacts over the trajectories anu chandra
  • Re: [gmx-users] Number of ligand contacts over the trajectories bipin singh
  • Re: [gmx-users] Number of ligand contacts over the trajectories anu chandra
• [gmx-users] Iron(III)Hydroxide complexing with Enterobactin (quantum chemistry calculations?) Jonathan Saboury
• [gmx-users] DSSP problem Mass
  • Re: [gmx-users] DSSP problem Justin Lemkul
  • Re: [gmx-users] DSSP problem Mass
  • Re: [gmx-users] DSSP problem Justin Lemkul
• [gmx-users] energy drift - comparison of double and single precision Guillaume Chevrot
  • Re: [gmx-users] energy drift - comparison of double and single precision Michael Shirts
  • Re: [gmx-users] energy drift - comparison of double and single precision Mark Abraham
  • Re: [gmx-users] energy drift - comparison of double and single precision Guillaume Chevrot
  • Re: [gmx-users] energy drift - comparison of double and single precision Mark Abraham
  • Re: [gmx-users] energy drift - comparison of double and single precision XAvier Periole
  • Re: [gmx-users] energy drift - comparison of double and single precision Guillaume Chevrot
  • Re: [gmx-users] energy drift - comparison of double and single precision Guillaume Chevrot
  • Re: [gmx-users] energy drift - comparison of double and single precision Michael Shirts
  • Re: [gmx-users] energy drift - comparison of double and single precision Guillaume Chevrot
  • Re: [gmx-users] energy drift - comparison of double and single precision Mark Abraham
• [gmx-users] bonded interactions in Gromos96 Ehsan Sadeghi
  • Re: [gmx-users] bonded interactions in Gromos96 Justin Lemkul
  • Re: [gmx-users] bonded interactions in Gromos96 Ehsan Sadeghi
  • Re: [gmx-users] bonded interactions in Gromos96 Justin Lemkul
• [gmx-users] Building lipid bilayers topology superpc
  • Re: [gmx-users] Building lipid bilayers topology Justin Lemkul
• [gmx-users] question about OPLS-AA force field -required bond constraints Martin, Erik W
  • Re: [gmx-users] question about OPLS-AA force field -required bond constraints Justin Lemkul
  • Re: [gmx-users] question about OPLS-AA force field -required bond constraints Michael Shirts
• [gmx-users] Unstable System Nikhil Agrawal
  • Re: [gmx-users] Unstable System Justin Lemkul
  • Re: [gmx-users] Unstable System massimo sandal
• [gmx-users] non-bonded interaction for molecule contain virtual site zhonghe xu
• [gmx-users] DSSP installation on Ubuntu 12.10 Mass
  • Re: [gmx-users] DSSP installation on Ubuntu 12.10 Mark Abraham
  • Re: [gmx-users] DSSP installation on Ubuntu 12.10 Mass
  • Re: [gmx-users] DSSP installation on Ubuntu 12.10 Justin Lemkul
  • Re: [gmx-users] DSSP installation on Ubuntu 12.10 Mass
  • Re: [gmx-users] DSSP installation on Ubuntu 12.10 Justin Lemkul
  • Re: [gmx-users] DSSP installation on Ubuntu 12.10 Mass
  • Re: [gmx-users] DSSP installation on Ubuntu 12.10 Justin Lemkul
  • Re: [gmx-users] DSSP installation on Ubuntu 12.10 Mark Abraham
• [gmx-users] Gromacs on Stampede Arun Sharma
  • Re: [gmx-users] Gromacs on Stampede Szilárd Páll
  • [gmx-users] Gromacs on Stampede Christopher Neale
  • Re: [gmx-users] Gromacs on Stampede Arun Sharma
  • Re: [gmx-users] Gromacs on Stampede Arun Sharma
  • [gmx-users] Gromacs on Stampede Christopher Neale
• [gmx-users] Adding proton using genion to study proton transfer reaction Deepak Ojha
  • Re: [gmx-users] Adding proton using genion to study proton transfer reaction Tsjerk Wassenaar
• [gmx-users] RMSF analysis Sainitin Donakonda
  • Re: [gmx-users] RMSF analysis Justin Lemkul
  • Re: [gmx-users] RMSF analysis Sainitin Donakonda
  • Re: [gmx-users] RMSF analysis Justin Lemkul
  • Re: [gmx-users] RMSF analysis Gianluca Interlandi
• [gmx-users] RE : gmx-users Digest, Vol 114, Issue 21 ABEL Stephane 175950
• [gmx-users] Re: CHARMM36 force field available for GROMACS ABEL Stephane 175950
  • Re: [gmx-users] Re: CHARMM36 force field available for GROMACS Justin Lemkul
• [gmx-users] time evaluation of dimensions of the simulation cell Atila Petrosian
  • Re: [gmx-users] time evaluation of dimensions of the simulation cell Baptiste Demoulin
  • Re: [gmx-users] time evaluation of dimensions of the simulation cell Justin Lemkul
• [gmx-users] problem with the amb2gmx.pl xiao
  • Re: [gmx-users] problem with the amb2gmx.pl Alan
  • Re:Re: [gmx-users] problem with the amb2gmx.pl xiao
  • Re: Re: [gmx-users] problem with the amb2gmx.pl Alan
• [gmx-users] pressure coupling without pbc MURAT OZTURK
• [gmx-users] Steered MD Steven Neumann
• [gmx-users] Re:On the usage of g_sas Jernej Zidar
  • Re: [gmx-users] Re:On the usage of g_sas Justin Lemkul
• [gmx-users] CHARMM36 force field available for GROMACS Justin Lemkul
  • Re: [gmx-users] CHARMM36 force field available for GROMACS Mark Abraham
  • Re: [gmx-users] CHARMM36 force field available for GROMACS rajat desikan
  • Re: [gmx-users] CHARMM36 force field available for GROMACS Justin Lemkul
  • Re: [gmx-users] CHARMM36 force field available for GROMACS rajat desikan
  • Re: [gmx-users] CHARMM36 force field available for GROMACS Justin Lemkul
  • Re: [gmx-users] CHARMM36 force field available for GROMACS CHEN Pan
  • Re: [gmx-users] CHARMM36 force field available for GROMACS Justin Lemkul
  • Re: [gmx-users] CHARMM36 force field available for GROMACS Justin Lemkul
  • Re: [gmx-users] CHARMM36 force field available for GROMACS Roland Schulz
  • Re: [gmx-users] CHARMM36 force field available for GROMACS Justin Lemkul
• [gmx-users] Iron(III) Chloride in water Jonathan Saboury
• [gmx-users] Is Gromos force field 45a3 out of dated? Chih-Ying Lin
  • Re: [gmx-users] Is Gromos force field 45a3 out of dated? Tsjerk Wassenaar
• [gmx-users] Re: questions Tsjerk Wassenaar
• [gmx-users] Question about installing DSSP on Ubuntu 12.10 Mass
  • Re: [gmx-users] Question about installing DSSP on Ubuntu 12.10 Justin Lemkul
  • Re: [gmx-users] Question about installing DSSP on Ubuntu 12.10 Justin Lemkul
• [gmx-users] On the usage of g_sas Jernej Zidar
  • Re: [gmx-users] On the usage of g_sas Justin Lemkul
• [gmx-users] Regarding lipid bilayer hasthi
  • RE: [gmx-users] Regarding lipid bilayer Kukol, Andreas
• [gmx-users] Can I generate Pulf files after mD running? Yoochan,Myung
  • Re: [gmx-users] Can I generate Pulf files after mD running? Justin Lemkul
• [gmx-users] pdb2gmx takes phosphoserine as terminal ends Villarealed
  • Re: [gmx-users] pdb2gmx takes phosphoserine as terminal ends Justin Lemkul
  • [gmx-users] Re: pdb2gmx takes phosphoserine as terminal ends Villarealed
• [gmx-users] Calculating the distance between protein and ligand during ligand diffusion out of the box bipin singh
  • Re: [gmx-users] Calculating the distance between protein and ligand during ligand diffusion out of the box Justin Lemkul
  • Re: [gmx-users] Calculating the distance between protein and ligand during ligand diffusion out of the box bipin singh
  • Re: [gmx-users] Calculating the distance between protein and ligand during ligand diffusion out of the box Justin Lemkul
  • Re: [gmx-users] Calculating the distance between protein and ligand during ligand diffusion out of the box Trayder Thomas
  • Re: [gmx-users] Calculating the distance between protein and ligand during ligand diffusion out of the box bipin singh
  • Re: [gmx-users] Calculating the distance between protein and ligand during ligand diffusion out of the box Trayder Thomas
• [gmx-users] Bilayer thickness Archana Sonawani-Jagtap
  • Re: [gmx-users] Bilayer thickness Justin Lemkul
• [gmx-users] some code for writing topologies Laura Leay
• [gmx-users] parallel simulation pratibha kapoor
  • Re: [gmx-users] parallel simulation Venkat Reddy
  • [gmx-users] Re: parallel simulation pratibha kapoor
  • RE: [gmx-users] Re: parallel simulation Kukol, Andreas
• [gmx-users] pair distribution function Archana Sonawani-Jagtap
  • Re: [gmx-users] pair distribution function Justin Lemkul
  • Re: [gmx-users] pair distribution function Archana Sonawani-Jagtap
• [gmx-users] change of bilayer structure during NVT equilibration shahab shariati
  • Re: [gmx-users] change of bilayer structure during NVT equilibration Justin Lemkul
  • [gmx-users] change of bilayer structure during NVT equilibration shahab shariati
  • Re: [gmx-users] change of bilayer structure during NVT equilibration Justin Lemkul
• [gmx-users] Regarding lipid bilayer simulation hasthi
  • Re: [gmx-users] Regarding lipid bilayer simulation Justin Lemkul
• [gmx-users] What are F1~F4 of Equation(4.63) of Gromacs manual-4.5.6 Insung
• [gmx-users] pull-code constant-force direction gives unexpected error about distance larger than box size Christopher Neale
  • [gmx-users] pull-code constant-force direction gives unexpected error about distance larger than box size Christopher Neale
• [gmx-users] Verlett buffer drift Venkatesh Ramakrishnan
• [gmx-users] how to calculate kinetic constant? Albert
  • Re: [gmx-users] how to calculate kinetic constant? rajat desikan
  • Re: [gmx-users] how to calculate kinetic constant? David van der Spoel
  • [gmx-users] how to calculate kinetic constant? Christopher Neale
  • Re: [gmx-users] how to calculate kinetic constant? rajat desikan
  • [gmx-users] how to calculate kinetic constant? Christopher Neale
  • Re: [gmx-users] how to calculate kinetic constant? rajat desikan
• [gmx-users] Membrane is shifted a lot during umbrella sampling sudipta
  • [gmx-users] Membrane is shifted a lot during umbrella sampling Christopher Neale
  • Re: [gmx-users] Membrane is shifted a lot during umbrella sampling Justin Lemkul
• [gmx-users] double bond Ehsan Sadeghi
  • Re: [gmx-users] double bond Justin Lemkul
  • Re: [gmx-users] double bond Ehsan Sadeghi
  • Re: [gmx-users] double bond Justin Lemkul
• [gmx-users] Question regarding g_order sa
  • Re: [gmx-users] Question regarding g_order Justin Lemkul
• [gmx-users] GAFFlipids for Gromacs? Ollila Samuli
• [gmx-users] Re: Problem running free energy simulations Jernej Zidar
  • Re: [gmx-users] Re: Problem running free energy simulations Michael Shirts
• [gmx-users] pulling along hexane-water interface prithvi raj pandey
• [gmx-users] Problem running free energy simulations Jernej Zidar

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