March 2013 Archives by thread

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Starting: Fri Mar 1 01:55:32 CET 2013
Ending: Sun Mar 31 23:37:08 CEST 2013
Messages: 709

• [gmx-users] Problems with divalent cations   Justin Lemkul
• [gmx-users] Fwd: Command line to obtain multiple eigenvectors   Ashalatha Sreshty
  • [gmx-users] Fwd: Command line to obtain multiple eigenvectors   Justin Lemkul
• [gmx-users] Gromos43A1-S3 lipid parameters   Kukol, Andreas
  • [gmx-users] Gromos43A1-S3 lipid parameters   Venkat Reddy
• [gmx-users] Preparation protein-ligand complex   James Starlight
  • [gmx-users] Preparation protein-ligand complex   Thomas Evangelidis
    • [gmx-users] Preparation protein-ligand complex   James Starlight
      • [gmx-users] Preparation protein-ligand complex   Thomas Evangelidis
  • [gmx-users] Preparation protein-ligand complex   Felipe Pineda, PhD
• [gmx-users] GPU version of GROMACS 4.6 in MacOS cluster   Szilárd Páll
  • [gmx-users] GPU version of GROMACS 4.6 in MacOS cluster   George Patargias
    • [gmx-users] GPU version of GROMACS 4.6 in MacOS cluster   Szilárd Páll
      • [gmx-users] GPU version of GROMACS 4.6 in MacOS cluster   Albert
• [gmx-users] do_dssp   Miguel Ángel Mompeán García
  • [gmx-users] do_dssp   Erik Marklund
  • [gmx-users] do_dssp   Erik Marklund
    • [gmx-users] do_dssp   Miguel Ángel Mompeán García
      • [gmx-users] do_dssp   Justin Lemkul
      • [gmx-users] do_dssp   Erik Marklund
      • [gmx-users] do_dssp   Miguel Ángel Mompeán García
      • [gmx-users] do_dssp   Erik Marklund
      • [gmx-users] Re:Gromacs auxillary tools ideas   lloyd riggs
• [gmx-users] Reduction in dihedral types after grompp   francesco oteri
• [gmx-users] do_dssp with 4.6   Miguel Ángel Mompeán García
• [gmx-users] removing number of sol   gromacs query
  • [gmx-users] removing number of sol   Erik Marklund
    • [gmx-users] removing number of sol   gromacs query
      • [gmx-users] removing number of sol   Justin Lemkul
      • [gmx-users] removing number of sol   Erik Marklund
      • [gmx-users] removing number of sol   Erik Marklund
      • [gmx-users] removing number of sol   gromacs query
      • [gmx-users] removing number of sol   Erik Marklund
      • [gmx-users] removing number of sol   gromacs query
      • [gmx-users] removing number of sol   Erik Marklund
• [gmx-users] Re:Re: wrong bonds generate by g_x2top   zhhxu
  • [gmx-users] Re:Re: wrong bonds generate by g_x2top   Justin Lemkul
• AW: AW: AW: AW: AW: AW: AW: [gmx-users] g_current   Florian Dommert
  • AW: AW: AW: AW: AW: AW: AW: [gmx-users] g_current   Nilesh Dhumal
• [gmx-users] distance restraint   Linlin Sun
• [gmx-users] protein-ligand simulation-query   Revthi Sanker
• [gmx-users] Error bars - g_wham   Jochen Hub
• [gmx-users] ORCA/Gromacs, run with queue system   Andrey V Golovin
• [gmx-users] Installation Problems with Gromacs4.6   Abhishek Acharya
  • [gmx-users] Installation Problems with Gromacs4.6   Mark Abraham
• [gmx-users] ERROR No default G96Angle types   Villarealed
  • [gmx-users] ERROR No default G96Angle types   Justin Lemkul
    • [gmx-users] Re: ERROR No default G96Angle types   Villarealed
• [gmx-users] Re: gInstallation Problems with Gromacs4.6   Christoph Junghans
  • [gmx-users] Re: gInstallation Problems with Gromacs4.6   Abhishek Acharya
    • [gmx-users] Re: gInstallation Problems with Gromacs4.6   Mark Abraham
      • [gmx-users] Re: gInstallation Problems with Gromacs4.6   Abhishek Acharya
      • [gmx-users] Re: gInstallation Problems with Gromacs4.6   Mark Abraham
      • [gmx-users] Re: gInstallation Problems with Gromacs4.6   Abhishek Acharya
      • [gmx-users] Re: gInstallation Problems with Gromacs4.6   Mark Abraham
• [gmx-users] number of coordinates in coordinate file (system.gro, 10019) does not match topology (topol.top, 17093)   swati rana
  • [gmx-users] number of coordinates in coordinate file (system.gro, 10019) does not match topology (topol.top, 17093)   Justin Lemkul
    • [gmx-users] number of coordinates in coordinate file (system.gro, 10019) does not match topology (topol.top, 17093)   swati rana
      • [gmx-users] number of coordinates in coordinate file (system.gro, 10019) does not match topology (topol.top, 17093)   swati rana
      • [gmx-users] number of coordinates in coordinate file (system.gro, 10019) does not match topology (topol.top, 17093)   Emanuel Birru
      • [gmx-users] number of coordinates in coordinate file (system.gro, 10019) does not match topology (topol.top, 17093)   swati rana
      • [gmx-users] number of coordinates in coordinate file (system.gro, 10019) does not match topology (topol.top, 17093)   swati rana
      • [gmx-users] number of coordinates in coordinate file (system.gro, 10019) does not match topology (topol.top, 17093)   Emanuel Birru
• [gmx-users] Fw:some waters in active site of receptor   aixintiankong
• [gmx-users] Semiisotropic pressure coupling problem   congchen
• [gmx-users] implicit solvent   aixintiankong
• [gmx-users] Shifting in Verlet cut-off schemes?   Yun Shi
  • [gmx-users] Shifting in Verlet cut-off schemes?   Mark Abraham
• [gmx-users] mpirun: cannot open .tpr file   Ewaru
  • [gmx-users] mpirun: cannot open .tpr file   Justin Lemkul
• [gmx-users] error in energy minimzation step   az kalsom
  • [gmx-users] error in energy minimzation step   Justin Lemkul
• [gmx-users] Thread affinity setting failed   Reid Van Lehn
  • [gmx-users] Thread affinity setting failed   Mark Abraham
    • [gmx-users] Thread affinity setting failed   Szilárd Páll
      • [gmx-users] Thread affinity setting failed   Reid Van Lehn
• [gmx-users] Switching functions for only some molecules   Jeff Yew
  • [gmx-users] Switching functions for only some molecules   Justin Lemkul
• [gmx-users] Error when extending simulation   sebastian
  • [gmx-users] Error when extending simulation   sebastian
    • [gmx-users] Error when extending simulation   Justin Lemkul
      • [gmx-users] Error when extending simulation   Mark Abraham
      • [gmx-users] Error when extending simulation   sebastian
• [gmx-users] H-D-A angle in H-bond   mcapar
  • [gmx-users] H-D-A angle in H-bond   Justin Lemkul
• [gmx-users] X particles communicated to PME node Y are more ...   Miguel Ángel Mompeán García
  • [gmx-users] X particles communicated to PME node Y are more ...   Justin Lemkul
    • [gmx-users] X particles communicated to PME node Y are more ...   Miguel Ángel Mompeán García
      • [gmx-users] X particles communicated to PME node Y are more ...   Justin Lemkul
      • [gmx-users] X particles communicated to PME node Y are more ...   Miguel Ángel Mompeán García
      • [gmx-users] X particles communicated to PME node Y are more ...   Justin Lemkul
      • [gmx-users] X particles communicated to PME node Y are more ...   Miguel Ángel Mompeán García
      • [gmx-users] X particles communicated to PME node Y are more ...   Justin Lemkul
• [gmx-users] Difference in Number of contacts through g_hbond and g_mindist   bipin singh
  • [gmx-users] Difference in Number of contacts through g_hbond and g_mindist   Justin Lemkul
    • [gmx-users] Difference in Number of contacts through g_hbond and g_mindist   bipin singh
      • [gmx-users] Difference in Number of contacts through g_hbond and g_mindist   Erik Marklund
      • [gmx-users] Difference in Number of contacts through g_hbond and g_mindist   bipin singh
• [gmx-users] Protein-ligand simulation   Ankita naithani
  • [gmx-users] Protein-ligand simulation   Justin Lemkul
• [gmx-users] Re: Output for rmsd and radius of gyration doubts   Ewaru
  • [gmx-users] Re: Output for rmsd and radius of gyration doubts   Justin Lemkul
    • [gmx-users] Re: Output for rmsd and radius of gyration doubts   Ewaru
      • [gmx-users] Re: Output for rmsd and radius of gyration doubts   Justin Lemkul
      • [gmx-users] Re: Output for rmsd and radius of gyration doubts   Ewaru
• [gmx-users] about simulation runs   amna khan
  • [gmx-users] about simulation runs   Justin Lemkul
    • [gmx-users] about simulation runs   amna khan
      • [gmx-users] about simulation runs   amna khan
      • [gmx-users] about simulation runs   Justin Lemkul
• [gmx-users] g_hbond and contact   Kavyashree M
  • [gmx-users] g_hbond and contact   Justin Lemkul
    • [gmx-users] g_hbond and contact   Kavyashree M
      • [gmx-users] g_hbond and contact   Justin Lemkul
      • [gmx-users] g_hbond and contact   Kavyashree M
      • [gmx-users] g_hbond and contact   Justin Lemkul
      • [gmx-users] g_hbond and contact   Kavyashree M
      • [gmx-users] g_hbond and contact   Erik Marklund
      • [gmx-users] g_hbond and contact   Kavyashree M
      • [gmx-users] g_hbond and contact   Erik Marklund
      • [gmx-users] g_hbond and contact   Kavyashree M
• [gmx-users] Time-Dependent Electric Field   raquick
  • [gmx-users] Time-Dependent Electric Field   Erik Marklund
• [gmx-users] Errors in compiling gromacs 4.5.6   Ekta Jain
  • [gmx-users] Errors in compiling gromacs 4.5.6   Mark Abraham
• [gmx-users] costu, fragment force field   nemethl at pharm.u-szeged.hu
• [gmx-users] translation of the system - regd   ramesh cheerla
• [gmx-users] Re: BAR histogram results   Sonia Aguilera
  • [gmx-users] Re: BAR histogram results   Justin Lemkul
• [gmx-users] GROMACS 4.6.1 released   Mark Abraham
  • [gmx-users] GROMACS 4.6.1 released   Szilárd Páll
  • [gmx-users] GROMACS 4.6.1 released   Albert
    • [gmx-users] GROMACS 4.6.1 released   Mark Abraham
    • [gmx-users] GROMACS 4.6.1 released   Debasmita Biswal
  • [gmx-users] GROMACS 4.6.1 released   lloyd riggs
• [gmx-users] how to get pdb2gmx to use an arbitrarily located forcefield.ff directory?   Christopher Neale
  • [gmx-users] how to get pdb2gmx to use an arbitrarily located forcefield.ff directory?   francesco oteri
• [gmx-users] only 4 zero eigvals for NMA   Hyuntae Na
  • [gmx-users] only 4 zero eigvals for NMA (with 10^-6 emtol for l-bfgs)   Hyuntae Na
    • [gmx-users] only 4 zero eigvals for NMA (with 10^-6 emtol for l-bfgs)   lloyd riggs
• [gmx-users] how to get pdb2gmx to use an arbitrarily located forcefield.ff directory?   Christopher Neale
• [gmx-users] lipid-SPC/SPCE interactions in lipid.itp (Tieleman website)   fciocco
  • [gmx-users] lipid-SPC/SPCE interactions in lipid.itp (Tieleman website)   Justin Lemkul
    • [gmx-users] lipid-SPC/SPCE interactions in lipid.itp (Tieleman website)   Facundo Ciocco Aloia
• [gmx-users] query for gromacs-4.5.4   Chaitali Chandratre
  • [gmx-users] query for gromacs-4.5.4   Justin Lemkul
    • [gmx-users] query for gromacs-4.5.4   Chaitali Chandratre
      • [gmx-users] query for gromacs-4.5.4   Mark Abraham
      • [gmx-users] query for gromacs-4.5.4   Chaitali Chandratre
      • [gmx-users] query for gromacs-4.5.4   Mark Abraham
      • [gmx-users] query for gromacs-4.5.4   Chaitali Chandratre
      • [gmx-users] query for gromacs-4.5.4   Mark Abraham
• [gmx-users] problem with a complex cofactor   Anna Marabotti
  • [gmx-users] problem with a complex cofactor   Justin Lemkul
• [gmx-users] md engine detection for different force field   gromacs query
  • [gmx-users] md engine detection for different force field   Justin Lemkul
    • [gmx-users] md engine detection for different force field   gromacs query
• [gmx-users] Re: Re: problem with a complex cofactor   Anna Marabotti
• [gmx-users] DSSP Installation Error   Amjad Farooq
• [gmx-users] Pca 3d structure ?   라지브간디
  • [gmx-users] Pca 3d structure ?   Tsjerk Wassenaar
• AW: AW: AW: AW: AW: AW: AW: [gmx-users] g_current   Nilesh Dhumal
  • AW: AW: AW: AW: AW: AW: AW: AW: [gmx-users] g_current   Florian Dommert
• [gmx-users] Re: [gmx-developers] Gromacs 4.6.1 ATLAS/CUDA detection problems...   Christoph Junghans
• [gmx-users] Re: [gmx-developers] Gromacs 4.6.1 ATLAS/CUDA detection problems...   Christoph Junghans
  • [gmx-users] Re: [gmx-developers] Gromacs 4.6.1 ATLAS/CUDA detection problems...   Evren Yurtesen IB
    • [gmx-users] Re: [gmx-developers] Gromacs 4.6.1 ATLAS/CUDA detection problems...   Berk Hess
      • [gmx-users] Re: [gmx-developers] Gromacs 4.6.1 ATLAS/CUDA detection problems...   Evren Yurtesen IB
      • [gmx-users] Re: [gmx-developers] Gromacs 4.6.1 ATLAS/CUDA detection problems...   Berk Hess
      • [gmx-users] Re: [gmx-developers] Gromacs 4.6.1 ATLAS/CUDA detection problems...   Szilárd Páll
      • [gmx-users] Re: [gmx-developers] Gromacs 4.6.1 ATLAS/CUDA detection problems...   Evren Yurtesen IB
• [gmx-users] reg binding free energy   Vishwambhar Bhandare
  • [gmx-users] reg binding free energy   Justin Lemkul
    • [gmx-users] reg binding free energy   Erik Marklund
• [gmx-users] paca 3d structure???   라지브간디
  • [gmx-users] paca 3d structure???   Tsjerk Wassenaar
• [gmx-users] Thread affinity setting failed   Roland Schulz
  • [gmx-users] Thread affinity setting failed   Szilárd Páll
• [gmx-users] Topology of Graphite Oxide   zhhxu
  • [gmx-users] Topology of Graphite Oxide   Justin Lemkul
• [gmx-users] Re: RDF calculation   Keerthana S.P Periasamy
  • [gmx-users] Re: RDF calculation   Justin Lemkul
• [gmx-users] Special bonds with terminal residue   Baptiste Demoulin
  • [gmx-users] Special bonds with terminal residue   Justin Lemkul
    • [gmx-users] Special bonds with terminal residue   Baptiste Demoulin
• [gmx-users] Hamiltonian replica exchange umbrella sampling with gmx 4.6   Joakim Jämbeck
  • [gmx-users] Hamiltonian replica exchange umbrella sampling with gmx 4.6   Michael Shirts
• [gmx-users] question on RDF   L.Liu at utwente.nl
  • [gmx-users] question on RDF   Justin Lemkul
• [gmx-users] Use dihedraltype 4 to allow several multiplicity terms   Steven Neumann
  • [gmx-users] Use dihedraltype 4 to allow several multiplicity terms   Justin Lemkul
  • [gmx-users] Use dihedraltype 4 to allow several multiplicity terms   Baptiste Demoulin
    • [gmx-users] Use dihedraltype 4 to allow several multiplicity terms   Steven Neumann
• [gmx-users] electron desnity   George Patargias
  • [gmx-users] electron desnity   Justin Lemkul
• [gmx-users] Small bug with -pi in g_mindist?   Reid Van Lehn
  • [gmx-users] Small bug with -pi in g_mindist?   David van der Spoel
• [gmx-users] Re: electron desnity   Dr. Vitaly Chaban
• [gmx-users] Trouble restarting a 4.5.5 run with 4.6.1 (forced to use -noappend)   Christopher Neale
• [gmx-users] Small bug with -pi in g_mindist?   Jens Kahlen
• [gmx-users] Re: Hamiltonian replica exchange umbrella sampling with gmx 4.6   Joakim Jämbeck
  • [gmx-users] Re: Hamiltonian replica exchange umbrella sampling with gmx 4.6   Michael Shirts
• [gmx-users] g_density fails after calculating for the last snapshot   Rajat Desikan
• [gmx-users] Water surface tension - wall settings?   Steven Neumann
• [gmx-users] QMMM installation with Cmake   Esteban Vohringer-Martinez
• [gmx-users] g_density fails after calculating for the last snapshot   Christopher Neale
  • [gmx-users] Re: g_density fails after calculating for the last snapshot   Rajat Desikan
• [gmx-users] GPU version of GROMACS 4.6 in MacOS cluster   George Patargias
• [gmx-users] query regarding mk_angndx   Kavyashree M
  • [gmx-users] query regarding mk_angndx   Kavyashree M
    • [gmx-users] query regarding mk_angndx   Dallas Warren
• [gmx-users] dihre_fc option in new 4.6.1 version   Esteban Vohringer-Martinez
• [gmx-users] Gromacs with Intel Xeon Phi coprocessors ?   Christopher Neale
  • [gmx-users] Gromacs with Intel Xeon Phi coprocessors ?   Mark Abraham
  • [gmx-users] Gromacs with Intel Xeon Phi coprocessors ?   Szilárd Páll
• [gmx-users] Re: RDF for INVACCUO simulation   Keerthana S.P Periasamy
  • [gmx-users] Re: RDF for INVACCUO simulation   Justin Lemkul
• [gmx-users] Performance of 4.6.1 vs. 4.5.5   Christopher Neale
  • [gmx-users] Performance of 4.6.1 vs. 4.5.5   Mark Abraham
    • [gmx-users] Performance of 4.6.1 vs. 4.5.5   Szilárd Páll
• [gmx-users] Re: Calculation of coordination number for lithium ion   Justin Lemkul
• [gmx-users] error in gromacs 4.0.7-Source code file: domdec.c, line: 5888   Hamid Mosaddeghi
• [gmx-users] Re: gromacs VERSION 4.0.7-There is no domain decomposition.....   Christoph Junghans
  • [gmx-users] Re: gromacs VERSION 4.0.7-There is no domain decomposition.....   Hamid Mosaddeghi
• [gmx-users] message   Alif M Latif
• [gmx-users] Re: gromacs VERSION 4.0.7-There is no domain   Christoph Junghans
• [gmx-users] Mismatching number of PP MPI processes and GPUs per node   George Patargias
  • [gmx-users] Mismatching number of PP MPI processes and GPUs per node   Carsten Kutzner
    • [gmx-users] Mismatching number of PP MPI processes and GPUs per node   George Patargias
      • [gmx-users] Mismatching number of PP MPI processes and GPUs per node   Szilárd Páll
• [gmx-users] TMD using free energy code   Landraille
  • [gmx-users] Re: TMD using free energy code   Landraille
• [gmx-users] mdrun WARING and crash   L.Liu at utwente.nl
  • [gmx-users] mdrun WARING and crash   Justin Lemkul
    • [gmx-users] mdrun WARING and crash   L.Liu at utwente.nl
      • [gmx-users] mdrun WARING and crash   Justin Lemkul
    • [gmx-users] mdrun WARING and crash   L.Liu at utwente.nl
• [gmx-users] only 4 zero eigvals for NMA (with 10^-6 emtol for l-bfgs)   Hyuntae Na
• [gmx-users] removing rotational and translational motion (holonomic contraint)   Evelyne Deplazes
  • [gmx-users] removing rotational and translational motion (holonomic contraint)   Tsjerk Wassenaar
    • [gmx-users] Re: removing rotational and translational motion (holonomic contraint)   deplazes
• [gmx-users] setting the gromacs 4.6.1 path   라지브간디
  • [gmx-users] setting the gromacs 4.6.1 path   Mark Abraham
• [gmx-users] constant velocity pulling/Umbrella sampling   raghav singh
  • [gmx-users] constant velocity pulling/Umbrella sampling   Justin Lemkul
• [gmx-users] No default U-B types   라지브간디
• [gmx-users] Postdoc jobs developing gromacs etc.   David van der Spoel
• [gmx-users] Tutorial for polarized ions simulation   Cuong Nguyen
• [gmx-users] combine two gro files   Nur Syafiqah Abdul Ghani
  • [gmx-users] combine two gro files   Dallas Warren
    • [gmx-users] Re: combine two gro files   shika
• [gmx-users] trjorder   Nidhi Katyal
  • [gmx-users] trjorder   Justin Lemkul
• [gmx-users] Error: invalid initializer, though GCC version 2006   nikunj
  • [gmx-users] Error: invalid initializer, though GCC version 2006   Mark Abraham
• [gmx-users] setting the gromacs 4.6.1 path   라지브간디
  • [gmx-users] setting the gromacs 4.6.1 path   Mark Abraham
• [gmx-users] rmsf analysis   vansh
  • [gmx-users] rmsf analysis   Ankita naithani
    • [gmx-users] Re: rmsf analysis   vansh
      • [gmx-users] Re: rmsf analysis   Ankita naithani
      • [gmx-users] Re: rmsf analysis   vansh
• [gmx-users] REMD temperature spacing error   Nikunj Maheshwari
  • [gmx-users] REMD temperature spacing error   Mark Abraham
    • [gmx-users] REMD temperature spacing error   Nikunj Maheshwari
      • [gmx-users] REMD temperature spacing error   Mark Abraham
      • [gmx-users] REMD temperature spacing error   Nikunj Maheshwari
      • [gmx-users] REMD temperature spacing error   Mark Abraham
• [gmx-users] MD in Vacuum   Lara Bunte
  • [gmx-users] MD in Vacuum   Justin Lemkul
    • [gmx-users] MD in Vacuum   Erik Marklund
• [gmx-users] No default Proper Dih. types, U-B types and Bond types error???   라지브간디
  • [gmx-users] No default Proper Dih. types, U-B types and Bond types error???   Mark Abraham
• [gmx-users] Gromacs-4.6 installation on cygwin problem   neshat haq
  • [gmx-users] Gromacs-4.6 installation on cygwin problem   Mark Abraham
    • [gmx-users] Gromacs-4.6 installation on cygwin problem   Mirco Wahab
  • [gmx-users] Gromacs-4.6 installation on cygwin problem   Mirco Wahab
    • [gmx-users] Re: Gromacs-4.6 installation on cygwin problem   neshathaq
• [gmx-users] Simualtion blows up with Verlet cutoff scheme   Bu Wang
  • [gmx-users] Re: Simualtion blows up with Verlet cutoff scheme   Bu
• [gmx-users] How to include a small organic molecule   Monoj Mon Kalita
  • [gmx-users] How to include a small organic molecule   Dallas Warren
• [gmx-users] Fwd: [gmx-developers] Simulated annealing problem   David van der Spoel
• [gmx-users] Simulated annealing problem   Gaurav Jerath
• [gmx-users] position restraints   Shima Arasteh
  • [gmx-users] position restraints   Erik Marklund
• [gmx-users] template parallelization   subhadipdas
  • [gmx-users] template parallelization   Erik Marklund
    • [gmx-users] Re: template parallelization   subhadipdas
      • [gmx-users] Re: template parallelization   Erik Marklund
      • [gmx-users] Re: template parallelization   subhadipdas
• [gmx-users] bonding energy   fatemeh ramezani
  • [gmx-users] bonding energy   Justin Lemkul
• [gmx-users] polymer duplicate atoms   cqgzc
  • [gmx-users] polymer duplicate atoms   Dallas Warren
    • [gmx-users] RE: polymer duplicate atoms   cqgzc
  • [gmx-users] Re: polymer duplicate atoms   cqgzc
    • [gmx-users] Re: polymer duplicate atoms   Dallas Warren
      • [gmx-users] Re: polymer duplicate atoms   cqgzc
      • [gmx-users] Re: polymer duplicate atoms   Dallas Warren
      • [gmx-users] Re: polymer duplicate atoms   cqgzc
      • [gmx-users] Re: polymer duplicate atoms   Dallas Warren
      • [gmx-users] Re: polymer duplicate atoms   cqgzc
      • [gmx-users] Re: polymer duplicate atoms   Dallas Warren
  • [gmx-users] Re: polymer duplicate atoms   cqgzc
• [gmx-users] Salt bridge analysis tool   albielyons
  • [gmx-users] Salt bridge analysis tool   Justin Lemkul
• [gmx-users] High Temperatures in NVT   Abhishek Acharya
  • [gmx-users] High Temperatures in NVT   Mark Abraham
    • [gmx-users] High Temperatures in NVT   Abhishek Acharya
      • [gmx-users] High Temperatures in NVT   Mark Abraham
• [gmx-users] implicit solvation   preetichoudhary at iisermohali.ac.in
  • [gmx-users] implicit solvation   Mark Abraham
• Fw: Fwd: [gmx-users] position restraints   Shima Arasteh
  • Fw: Fwd: [gmx-users] position restraints   Justin Lemkul
    • Fw: Fwd: [gmx-users] position restraints   Shima Arasteh
      • Fw: Fwd: [gmx-users] position restraints   Justin Lemkul
      • Fw: Fwd: [gmx-users] position restraints   Shima Arasteh
      • Fw: Fwd: [gmx-users] position restraints   Justin Lemkul
• Fwd: Fw: Fwd: [gmx-users] position restraints   Shima Arasteh
  • Fwd: Fw: Fwd: [gmx-users] position restraints   Justin Lemkul
    • Fwd: Fw: Fwd: [gmx-users] position restraints   Shima Arasteh
      • Fwd: Fw: Fwd: [gmx-users] position restraints   Shima Arasteh
      • Fwd: Fw: Fwd: [gmx-users] position restraints   Mark Abraham
      • Fwd: Fw: Fwd: [gmx-users] position restraints   Shima Arasteh
      • Fwd: Fw: Fwd: [gmx-users] position restraints   Justin Lemkul
      • Fwd: Fw: Fwd: [gmx-users] position restraints   Shima Arasteh
      • Fwd: Fw: Fwd: [gmx-users] position restraints   Justin Lemkul
      • Fwd: Fw: Fwd: [gmx-users] position restraints   Shima Arasteh
      • Fwd: Fw: Fwd: [gmx-users] position restraints   Justin Lemkul
      • Fwd: Fw: Fwd: [gmx-users] position restraints   Shima Arasteh
      • Fwd: Fw: Fwd: [gmx-users] position restraints   Shima Arasteh
      • Fwd: Fw: Fwd: [gmx-users] position restraints   Justin Lemkul
      • Fwd: Fw: Fwd: [gmx-users] position restraints   Mark Abraham
      • Fwd: Fw: Fwd: [gmx-users] position restraints   Justin Lemkul
• [gmx-users] Dihedral restraints in 4.6 vs 4.5.X   Per Larsson
  • [gmx-users] Dihedral restraints in 4.6 vs 4.5.X   David van der Spoel
    • [gmx-users] Dihedral restraints in 4.6 vs 4.5.X   Per Larsson
• [gmx-users] Error Quick and Dirty installation   Juando11
  • [gmx-users] Error Quick and Dirty installation   Mark Abraham
• [gmx-users] Timesteps don't match   Alexander Peyser
  • [gmx-users] Timesteps don't match   Mark Abraham
• [gmx-users] Treating electrostatics and van der Waals interactions differently   Jeff Woodford
  • [gmx-users] Treating electrostatics and van der Waals interactions differently   David van der Spoel
  • [gmx-users] Treating electrostatics and van der Waals interactions differently   Mark Abraham
• [gmx-users] Treating electrostatics and van der Waals interactions differently   Thomas Schlesier
• [gmx-users] Parallelization performance   Sonia Aguilera
  • [gmx-users] Parallelization performance   Mark Abraham
• [gmx-users] replica exchange data in cpt file   francesco oteri
  • [gmx-users] replica exchange data in cpt file   Mark Abraham
• [gmx-users] About Check point for restart   vidhya sankar
  • [gmx-users] About Check point for restart   Justin Lemkul
• [gmx-users] Could anyone send me some *.tpr input files ( for testing) ?   Daniel Wang
• [gmx-users] Re: Problem building Gromacs-4.5.5 on BlueGene/Q   Jeff Hammond
• [gmx-users] How to parameterize glucose   dreda
  • [gmx-users] How to parameterize glucose   Justin Lemkul
• [gmx-users] [Fwd: implicit solvation]   preetichoudhary at iisermohali.ac.in
  • [gmx-users] [Fwd: implicit solvation]   Justin Lemkul
• [gmx-users] covalent binding- Improper Dih   Yongliang Yang
  • [gmx-users] covalent binding- Improper Dih   Emanuel Birru
• [gmx-users] pull code - constraint pulling - forces are zeros   raghav singh
  • [gmx-users] pull code - constraint pulling - forces are zeros   Erik Marklund
• [gmx-users] topology   shahid nayeem
  • [gmx-users] topology   Justin Lemkul
    • [gmx-users] topology   shahid nayeem
      • [gmx-users] topology   Justin Lemkul
• [gmx-users] .top file from .tpr and .xtc   shahid nayeem
  • [gmx-users] .top file from .tpr and .xtc   Justin Lemkul
    • [gmx-users] .top file from .tpr and .xtc   shahid nayeem
      • [gmx-users] .top file from .tpr and .xtc   francesco oteri
      • [gmx-users] .top file from .tpr and .xtc   shahid nayeem
      • [gmx-users] .top file from .tpr and .xtc   francesco oteri
      • [gmx-users] .top file from .tpr and .xtc   shahid nayeem
      • [gmx-users] .top file from .tpr and .xtc   francesco oteri
• [gmx-users] Problem in adding *.itp for 2 different ligands in topol .top   Parshvika Sharma
  • [gmx-users] Problem in adding *.itp for 2 different ligands in topol .top   Justin Lemkul
• [gmx-users] Constrain boxsize   Kieu Thu Nguyen
  • [gmx-users] Constrain boxsize   Justin Lemkul
    • [gmx-users] Constrain boxsize   Kieu Thu Nguyen
      • [gmx-users] Constrain boxsize   Justin Lemkul
• [gmx-users] Desired density - genbox   Steven Neumann
  • [gmx-users] Desired density - genbox   Justin Lemkul
    • [gmx-users] Desired density - genbox   Steven Neumann
      • [gmx-users] Desired density - genbox   Justin Lemkul
      • [gmx-users] Desired density - genbox   Steven Neumann
      • [gmx-users] Desired density - genbox   Justin Lemkul
• [gmx-users] Born-Mayer-Huggins type pair potential   Gabriele Lanaro
  • [gmx-users] Born-Mayer-Huggins type pair potential   Justin Lemkul
• [gmx-users] Re: Born-Mayer-Huggins type pair potential   Dr. Vitaly Chaban
  • [gmx-users] Re: Born-Mayer-Huggins type pair potential   Gabriele Lanaro
• [gmx-users] Invitation to connect on LinkedIn   Ramachandran Gnanasekaran via LinkedIn
• [gmx-users] cuda gpu status on mdrun   Quentin Delettre
  • [gmx-users] cuda gpu status on mdrun   Szilárd Páll
• [gmx-users] simulating only few residues from whole protein]   preetichoudhary at iisermohali.ac.in
  • [gmx-users] simulating only few residues from whole protein]   Justin Lemkul
• [gmx-users] Freezing some residues in equillibrium state?   라지브간디
  • [gmx-users] Freezing some residues in equillibrium state?   Justin Lemkul
    • [gmx-users] Freezing some residues in equillibrium state?   Erik Marklund
• [gmx-users] About Detrium order Parameter   vidhya sankar
  • [gmx-users] About Detrium order Parameter   Justin Lemkul
• [gmx-users] trjconv centre protein   Ewaru
  • [gmx-users] trjconv centre protein   Justin Lemkul
    • [gmx-users] Re: trjconv centre protein   Ewaru
      • [gmx-users] Re: trjconv centre protein   Justin Lemkul
      • [gmx-users] Re: trjconv centre protein   Ewaru
• [gmx-users] Energy minimization failure   Jeff Woodford
  • [gmx-users] Energy minimization failure   Justin Lemkul
• [gmx-users] Error during grompp run   Kshatresh Dutta Dubey
  • [gmx-users] Error during grompp run   Justin Lemkul
• [gmx-users] PMF and jacobian correction   Sanku M
• [gmx-users] Top file modification   Shima Arasteh
  • [gmx-users] Top file modification   Justin Lemkul
    • [gmx-users] Top file modification   Shima Arasteh
• [gmx-users] Top file modification   Shima Arasteh
  • [gmx-users] Top file modification   Justin Lemkul
    • [gmx-users] Top file modification   Shima Arasteh
      • [gmx-users] Top file modification   Justin Lemkul
• [gmx-users] Function of dihedrals in top file   Shima Arasteh
  • [gmx-users] Function of dihedrals in top file   Shima Arasteh
  • [gmx-users] Function of dihedrals in top file   Justin Lemkul
• [gmx-users] memory excess error of Tip4p/Ice model   Kenji Mochizuki
  • [gmx-users] memory excess error of Tip4p/Ice model   Justin Lemkul
• [gmx-users] RE: RE: covalent binding- Improper Dih (Emanuel Birru)   Yongliang Yang
  • [gmx-users] RE: RE: covalent binding- Improper Dih (Emanuel Birru)   Emanuel Birru
• [gmx-users] Installing GROMACS4.6.1 on Intel MIC   Anirban
  • [gmx-users] Installing GROMACS4.6.1 on Intel MIC   Mark Abraham
    • [gmx-users] Installing GROMACS4.6.1 on Intel MIC   Szilárd Páll
• [gmx-users] Re: memory excess error of Tip4p/Ice model   Dr. Vitaly Chaban
• [gmx-users] freeze the particular residues in NPT-NVT   라지브간디
  • [gmx-users] freeze the particular residues in NPT-NVT   Justin Lemkul
• [gmx-users] Umbrella sampling with large pulling distance (larger than half of the box size)   DeChang Li
• [gmx-users] Umbrella sampling with large pulling distance (larger than half of the box size)   Thomas Schlesier
• [gmx-users] Error during grompp run   Justin Lemkul
• [gmx-users] Restraining water molecule   neeru sharma
  • [gmx-users] Restraining water molecule   Justin Lemkul
• [gmx-users] freez few residues in protein   라지브간디
• [gmx-users] Mentioning proper and improper torsions   라지브간디
  • [gmx-users] Mentioning proper and improper torsions   Justin Lemkul
• [gmx-users] Re: freeze the particular residues in NPT-NVT   라지브간디
  • [gmx-users] Re: freeze the particular residues in NPT-NVT   Justin Lemkul
• [gmx-users] Re: Umbrella sampling with large pulling distance (larger than half of the box size) (Thomas Schlesier)   DeChang Li
• [gmx-users] How to modify the vdw radii of some atom?   fantasticqhl
  • [gmx-users] How to modify the vdw radii of some atom?   Justin Lemkul
• [gmx-users] order of atom indices regarding proper dihedrals   Vedat Durmaz
• [gmx-users] Free webinar on Gromacs-4.6 and GPUs together with Nvidia   Erik Lindahl
• [gmx-users] help with chromophore of a GFP   Anna MARABOTTI
  • [gmx-users] help with chromophore of a GFP   Justin Lemkul
  • [gmx-users] help with chromophore of a GFP   Mark Abraham
• [gmx-users] have trouble to repeat PMF with martini polarizable water model   Yuan Hu
• [gmx-users] Re: freeze the particular residues in NPT-NVT   라지브간디
  • [gmx-users] Re: freeze the particular residues in NPT-NVT   Justin Lemkul
• [gmx-users] Re: gmx-users Digest, Vol 107, Issue 81   neeru sharma
  • [gmx-users] Restraining water molecule   Justin Lemkul
• [gmx-users] help with chromophore of a GFP   Anna Marabotti
• [gmx-users] Reg: Validation of Protein-Protein Interaction through simulation   Amit
  • [gmx-users] Reg: Validation of Protein-Protein Interaction through simulation   Justin Lemkul
    • [gmx-users] Re: Reg: Validation of Protein-Protein Interaction through simulation   Amit
      • [gmx-users] Re: Reg: Validation of Protein-Protein Interaction through simulation   Justin Lemkul
• [gmx-users] a plot technique question   Albert
  • [gmx-users] a plot technique question   Mark Abraham
• [gmx-users] Restraining water molecule   neeru sharma
  • [gmx-users] Restraining water molecule   Justin Lemkul
• [gmx-users] T-Coupling groups in NVT   Shima Arasteh
  • [gmx-users] T-Coupling groups in NVT   Justin Lemkul
  • [gmx-users] T-Coupling groups in NVT   Gunther Lukat
    • [gmx-users] T-Coupling groups in NVT   Shima Arasteh
• [gmx-users] g_tune_pme can't be executed   Daniel Wang
  • [gmx-users] g_tune_pme can't be executed   Carsten Kutzner
    • [gmx-users] g_tune_pme can't be executed   Daniel Wang
• [gmx-users] help with chromophore of a GFP   Anna MARABOTTI
  • [gmx-users] help with chromophore of a GFP   Justin Lemkul
  • [gmx-users] help with chromophore of a GFP   Mark Abraham
    • [gmx-users] help with chromophore of a GFP   Justin Lemkul
    • [gmx-users] help with chromophore of a GFP   lloyd riggs
• [gmx-users] atom numbers in top file   Shima Arasteh
  • [gmx-users] atom numbers in top file   Justin Lemkul
• [gmx-users] GROMACS Constraints   256B
  • [gmx-users] GROMACS Constraints   Justin Lemkul
• [gmx-users] interaction with metal   Nur Syafiqah Abdul Ghani
  • [gmx-users] interaction with metal   Justin Lemkul
• [gmx-users] proper and improper dihedrals in topology file from other ff   라지브간디
  • [gmx-users] proper and improper dihedrals in topology file from other ff   Justin Lemkul
• [gmx-users] construct the long polymer chain   cqgzc
  • [gmx-users] construct the long polymer chain   Justin Lemkul
  • [gmx-users] construct the long polymer chain   Dallas Warren
• [gmx-users] Error in REMD   Nikunj Maheshwari
  • [gmx-users] Error in REMD   Mark Abraham
• [gmx-users] Mismatching number of PP MPI processes and GPUs per node   George Patargias
  • [gmx-users] Mismatching number of PP MPI processes and GPUs per node   Szilárd Páll
• [gmx-users] how can we obtain replicated trajectory?   Albert
  • [gmx-users] how can we obtain replicated trajectory?   Mark Abraham
    • [gmx-users] how can we obtain replicated trajectory?   Albert
      • [gmx-users] how can we obtain replicated trajectory?   Mark Abraham
• [gmx-users] proper and improper dihedrals in topology file from other ff   라지브간디
  • [gmx-users] proper and improper dihedrals in topology file from other ff   Justin Lemkul
• [gmx-users] Re: Re: help with chromophore of a GFP   Anna MARABOTTI
  • [gmx-users] Re: Re: help with chromophore of a GFP   Mark Abraham
• [gmx-users] Hydrogen bonding differences   Kavyashree M
  • [gmx-users] Hydrogen bonding differences   Erik Marklund
    • [gmx-users] Hydrogen bonding differences   Kavyashree M
      • [gmx-users] Hydrogen bonding differences   Erik Marklund
      • [gmx-users] Hydrogen bonding differences   Kavyashree M
• [gmx-users] Proper and improper from other ff?   라지브간디
  • [gmx-users] Proper and improper from other ff?   Justin Lemkul
• [gmx-users] define statement in mdp file   Shima Arasteh
  • [gmx-users] define statement in mdp file   Justin Lemkul
    • [gmx-users] define statement in mdp file   Shima Arasteh
      • [gmx-users] define statement in mdp file   Justin Lemkul
      • [gmx-users] define statement in mdp file   Mark Abraham
• [gmx-users] dna-simualtions with gromacs   amna khan
  • [gmx-users] dna-simualtions with gromacs   Justin Lemkul
• [gmx-users] Proper and improper from other ff   라지브간디
  • [gmx-users] Proper and improper from other ff   Justin Lemkul
• [gmx-users] Format of .trr file   sudipta sinha
  • [gmx-users] Format of .trr file   Matthew Zwier
    • [gmx-users] Format of .trr file   sudipta
      • [gmx-users] Format of .trr file   Mark Abraham
      • [gmx-users] Format of .trr file   sudipta
      • [gmx-users] Format of .trr file   Mark Abraham
• [gmx-users] A problem of adding new bond parameters   spin
  • [gmx-users] A problem of adding new bond parameters   Mark Abraham
• [gmx-users] How to specify water molecules number added to box?   caizk at mail.ustc.edu.cn
  • [gmx-users] How to specify water molecules number added to box?   David van der Spoel
  • [gmx-users] How to specify water molecules number added to box?   Emanuel Birru
• [gmx-users] helitrope at 126.com   xiao
• [gmx-users] how to convert Coarse Grained protein structure to all-atom structure   xiao
• [gmx-users] gro does not match top   Shima Arasteh
  • [gmx-users] Re: gro does not match top   Shima Arasteh
    • [gmx-users] Re: gro does not match top   Justin Lemkul
      • [gmx-users] Re: gro does not match top   Mark Abraham
      • [gmx-users] Re: gro does not match top   Shima Arasteh
• [gmx-users] Is there any fundamental difference between the output of serial, gpu and parallel gromacs run   sudipta
  • [gmx-users] Is there any fundamental difference between the output of serial, gpu and parallel gromacs run   Mark Abraham
    • [gmx-users] Is there any fundamental difference between the output of serial, gpu and parallel gromacs run   Sudipta Kumar Sinha
    • [gmx-users] Is there any fundamental difference between the output of serial, gpu and parallel gromacs run   Sudipta Kumar Sinha
• [gmx-users] errors when using g_membed tool   Kieu Thu Nguyen
• [gmx-users] (no subject)   Yongliang Yang
  • [gmx-users] (no subject)   Emanuel Birru
    • [gmx-users] (no subject)   Justin Lemkul
      • [gmx-users] (no subject)   Emanuel Birru
• [gmx-users] problem in converting coarse grained structure to fine strcture   xiao
  • [gmx-users] Re: problem in converting coarse grained structure to fine strcture   kpsanto
  • [gmx-users] problem in converting coarse grained structure to fine strcture   Djurre de Jong-Bruinink
    • [gmx-users] problem in converting coarse grained structure to fine strcture   xiao
• [gmx-users] Re: Re: help with chromophore of a GFP   Anna MARABOTTI
  • [gmx-users] Re: Re: help with chromophore of a GFP   Mark Abraham
  • Aw: [gmx-users] Re: Re: help with chromophore of a GFP   lloyd riggs
• [gmx-users] position restraints   Shima Arasteh
  • [gmx-users] position restraints   Justin Lemkul
    • [gmx-users] position restraints   Shima Arasteh
      • [gmx-users] position restraints   Justin Lemkul
      • [gmx-users] position restraints   Shima Arasteh
      • [gmx-users] position restraints   Justin Lemkul
      • [gmx-users] position restraints   Shima Arasteh
      • [gmx-users] position restraints   Justin Lemkul
      • [gmx-users] position restraints   Shima Arasteh
      • [gmx-users] position restraints   Justin Lemkul
      • [gmx-users] position restraints   Shima Arasteh
      • [gmx-users] position restraints   Justin Lemkul
      • [gmx-users] position restraints   Shima Arasteh
      • [gmx-users] position restraints   Shima Arasteh
      • [gmx-users] position restraints   Justin Lemkul
      • [gmx-users] position restraints   Shima Arasteh
      • [gmx-users] position restraints   Justin Lemkul
• [gmx-users] Dihedral restraints   santhosh
• [gmx-users] scaling factor for rna/dna   Vishwambhar Bhandare
  • [gmx-users] scaling factor for rna/dna   Erik Marklund
• [gmx-users] G54a7 compatibility with G53a6?   Rajat Desikan
• [gmx-users] Atoms are fused after inserting in membrane   Shine Devaraj
  • [gmx-users] Atoms are fused after inserting in membrane   Justin Lemkul
    • [gmx-users] Re: Atoms are fused after inserting in membrane   sdshine
      • [gmx-users] Re: Atoms are fused after inserting in membrane   Justin Lemkul
• [gmx-users] About Deutrium Order Parameter   vidhya sankar
  • [gmx-users] About Deutrium Order Parameter   Justin Lemkul
• Fw: [gmx-users] position restraints   Justin Lemkul
  • Fw: [gmx-users] position restraints   Shima Arasteh
    • Fw: [gmx-users] position restraints   Justin Lemkul
      • Fw: [gmx-users] position restraints   Shima Arasteh
      • Fw: [gmx-users] position restraints   Justin Lemkul
• [gmx-users] Hydrophobic contact cut-off   Kavyashree M
• [gmx-users] chiller failure leads to truncated .cpt and _prev.cpt files using gromacs 4.6.1   Christopher Neale
  • [gmx-users] chiller failure leads to truncated .cpt and _prev.cpt files using gromacs 4.6.1   Matthew Zwier
• [gmx-users] Hydrophobic contact cut-off   Christopher Neale
• [gmx-users] chiller failure leads to truncated .cpt and _prev.cpt files using gromacs 4.6.1   Christopher Neale
  • [gmx-users] chiller failure leads to truncated .cpt and _prev.cpt files using gromacs 4.6.1   Justin Lemkul
  • [gmx-users] chiller failure leads to truncated .cpt and _prev.cpt files using gromacs 4.6.1   Berk Hess
• [gmx-users] (no subject)   Sathish Kumar
• [gmx-users] Nose-hoover chains thermostat   James Starlight
• [gmx-users] Simulation membrane proteins in amber99 force field.   James Starlight
• [gmx-users] calculating LJ   라지브간디
  • [gmx-users] calculating LJ   Justin Lemkul
• [gmx-users] g_cluster stopped - malloc failed   Zalikha Ibrahim
  • [gmx-users] g_cluster stopped - malloc failed   Justin Lemkul
• [gmx-users] compilation of gromacs-4.5.4 with fftw-3.3 for double precision versition   Qinghua Liao
  • [gmx-users] compilation of gromacs-4.5.4 with fftw-3.3 for double precision versition   Justin Lemkul
    • [gmx-users] compilation of gromacs-4.5.4 with fftw-3.3 for double precision versition   Qinghua Liao
      • [gmx-users] compilation of gromacs-4.5.4 with fftw-3.3 for double precision versition   Ahmet yıldırım
      • [gmx-users] compilation of gromacs-4.5.4 with fftw-3.3 for double precision versition   Qinghua Liao
      • [gmx-users] compilation of gromacs-4.5.4 with fftw-3.3 for double precision versition   Mark Abraham
• [gmx-users] Implicit solvent MD is not fast and not accurate.   xiao
  • [gmx-users] Implicit solvent MD is not fast and not accurate.   Justin Lemkul
    • [gmx-users] Implicit solvent MD is not fast and not accurate.   xiao
      • [gmx-users] Implicit solvent MD is not fast and not accurate.   Justin Lemkul
      • [gmx-users] Implicit solvent MD is not fast and not accurate.   xiao
• [gmx-users] LJ values conversion   라지브간디
  • [gmx-users] LJ values conversion   Justin Lemkul
• [gmx-users] Re: compilation of gromacs-4.5.4 with fftw-3.3 for double precision versition   Christoph Junghans
• [gmx-users] SMD : pulling both primes of DNA   raghav singh
• [gmx-users] diffusion constant level off   Ahmet yıldırım
  • [gmx-users] Re: diffusion constant level off   Ahmet yıldırım
    • [gmx-users] Re: diffusion constant level off   David van der Spoel
      • [gmx-users] Re: diffusion constant level off   Ahmet yıldırım
• [gmx-users] Simulating interfaces and load imbalance   Gabriele Lanaro
• [gmx-users] TOP file question   Peter Eastman
  • [gmx-users] TOP file question   Justin Lemkul
    • [gmx-users] TOP file question   Peter Eastman
      • [gmx-users] TOP file question   Peter Eastman
      • [gmx-users] TOP file question   Justin Lemkul
      • [gmx-users] TOP file question   Peter Eastman
      • [gmx-users] TOP file question   Justin Lemkul
      • [gmx-users] TOP file question   Peter Eastman
      • [gmx-users] TOP file question   Justin Lemkul
      • [gmx-users] TOP file question   Peter Eastman
• [gmx-users] Simulation membrane proteins in amber99 force field.   Christopher Neale
• [gmx-users] no CUDA-capable device is detected   Chandan Choudhury
  • [gmx-users] no CUDA-capable device is detected   George Patargias
    • [gmx-users] no CUDA-capable device is detected   Berk Hess
      • [gmx-users] no CUDA-capable device is detected   Chandan Choudhury
      • [gmx-users] no CUDA-capable device is detected   Berk Hess
      • [gmx-users] no CUDA-capable device is detected   Szilárd Páll
      • [gmx-users] no CUDA-capable device is detected   Chandan Choudhury
      • [gmx-users] no CUDA-capable device is detected   Chandan Choudhury
      • [gmx-users] no CUDA-capable device is detected   Szilárd Páll
• [gmx-users] How to simulate pure methane system?   Liu Chanjuan
• [gmx-users] retraining multiple protein ligand interactions using pull-code   Saravanan
  • [gmx-users] retraining multiple protein ligand interactions using pull-code   Justin Lemkul
    • [gmx-users] retraining multiple protein ligand interactions using pull-code   Saravanan
      • [gmx-users] retraining multiple protein ligand interactions using pull-code   Justin Lemkul
• [gmx-users] bond conversion between charmm and g96   라지브간디
  • [gmx-users] bond conversion between charmm and g96   Justin Lemkul
• [gmx-users] Re: Atoms are fused after inserting in membrane   Dr. Vitaly Chaban
  • [gmx-users] Re: Atoms are fused after inserting in membrane   Justin Lemkul
• [gmx-users] SMD : pulling both primes of DNA   Thomas Schlesier
• [gmx-users] Re: diffusion constant level off   Dr. Vitaly Chaban
  • [gmx-users] Re: diffusion constant level off   Ahmet yıldırım
    • [gmx-users] Re: diffusion constant level off   Dr. Vitaly Chaban
    • [gmx-users] Re: diffusion constant level off   Justin Lemkul
      • [gmx-users] Re: diffusion constant level off   Ahmet yıldırım
      • [gmx-users] Re: diffusion constant level off   Justin Lemkul
• [gmx-users] invalid pairstype 180   Monoj Mon Kalita
• [gmx-users] Virtual sites setting   라지브간디
  • [gmx-users] Virtual sites setting   Broadbent, Richard
• [gmx-users] Freezing group   Алексей Раевский
  • [gmx-users] Freezing group   Justin Lemkul
• [gmx-users] RE: diffusion constant level off   Dr. Vitaly Chaban
  • [gmx-users] RE: diffusion constant level off   Justin Lemkul
    • [gmx-users] RE: diffusion constant level off   Ahmet yıldırım
• [gmx-users] chiller failure leads to truncated .cpt and _prev.cpt files using gromacs 4.6.1   Christopher Neale
  • [gmx-users] chiller failure leads to truncated .cpt and _prev.cpt files using gromacs 4.6.1   Berk Hess
    • [gmx-users] chiller failure leads to truncated .cpt and _prev.cpt files using gromacs 4.6.1   Mark Abraham
• [gmx-users] virtusal site setting   라지브간디
  • [gmx-users] virtusal site setting   Broadbent, Richard
• [gmx-users] correct usage of freezing group   alex rayevsky
• [gmx-users] combine mutiple PBDs   Zalikha Ibrahim
  • [gmx-users] combine mutiple PBDs   Justin Lemkul
    • [gmx-users] Re: combine mutiple PBDs   zalikha_ibrahim
      • [gmx-users] Re: combine mutiple PBDs   Justin Lemkul
• [gmx-users] RE: diffusion constant level off   Dr. Vitaly Chaban
• [gmx-users] renumbering residue numbers for version 4.0.2   Nash, Anthony
  • [gmx-users] renumbering residue numbers for version 4.0.2   Mark Abraham
    • [gmx-users] renumbering residue numbers for version 4.0.2   Nash, Anthony
      • [gmx-users] renumbering residue numbers for version 4.0.2   Mark Abraham
      • [gmx-users] renumbering residue numbers for version 4.0.2   Nash, Anthony
• [gmx-users] surface tension-density profile   Elisabeth
• [gmx-users] chiller failure leads to truncated .cpt and _prev.cpt files using gromacs 4.6.1   Christopher Neale
• [gmx-users] g_rdf   mohammad agha
• [gmx-users] About the configuration of Gromacs on multiple nodes with GPU   崔学文
  • [gmx-users] About the configuration of Gromacs on multiple nodes with GPU   Szilárd Páll
• [gmx-users] how to install the gromacs 4.6.1 using the intel icc and ifor   aixintiankong
  • [gmx-users] how to install the gromacs 4.6.1 using the intel icc and ifor   Justin Lemkul
• [gmx-users] semi isotropic settings   Elisabeth
  • [gmx-users] semi isotropic settings   Justin Lemkul
    • [gmx-users] semi isotropic settings   Elisabeth
      • [gmx-users] semi isotropic settings   Justin Lemkul
• [gmx-users] Free energy landscape by g_sham   Kavyashree M
  • [gmx-users] Free energy landscape by g_sham   bipin singh
    • [gmx-users] Free energy landscape by g_sham   Kavyashree M
      • [gmx-users] Free energy landscape by g_sham   David van der Spoel
• [gmx-users] Making composite box in gromacs   Abhinav Agrawal
  • [gmx-users] Making composite box in gromacs   Justin Lemkul
• [gmx-users] Inactivate position restraint   Shima Arasteh
  • [gmx-users] Inactivate position restraint   Justin Lemkul
• [gmx-users] density profile   Elisabeth
  • [gmx-users] density profile   Justin Lemkul
    • [gmx-users] density profile   Elisabeth
      • [gmx-users] density profile   Justin Lemkul
      • [gmx-users] density profile   Elisabeth
      • [gmx-users] density profile   Justin Lemkul
• [gmx-users] Structure file for di atmoic molecule   Juliette N.
  • [gmx-users] Structure file for di atmoic molecule   Justin Lemkul
• [gmx-users] Re: density profile   Dr. Vitaly Chaban
  • [gmx-users] Re: density profile   Elisabeth
    • [gmx-users] Re: density profile   Dr. Vitaly Chaban
• [gmx-users] Re: gmx-users Digest, Vol 107, Issue 133   Abhinav Agrawal
  • [gmx-users] Making composite box in gromacs   Justin Lemkul
• [gmx-users] Handy insertion of multiatomic particles   Dr. Vitaly Chaban
  • [gmx-users] Handy insertion of multiatomic particles   Justin Lemkul
    • [gmx-users] Handy insertion of multiatomic particles   Dr. Vitaly Chaban
      • [gmx-users] Handy insertion of multiatomic particles   Justin Lemkul

Last message date: Sun Mar 31 23:37:08 CEST 2013
Archived on: Thu Nov 14 12:14:02 CET 2013

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