January 2012 Archives by thread

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Starting: Sun Jan 1 01:36:53 CET 2012
Ending: Tue Jan 31 23:42:36 CET 2012
Messages: 831

• [gmx-users] After installation help   Mark Abraham
  • [gmx-users] After installation help   Willian Pereira Felix
• [gmx-users] detective work before or after creating a topology?   Mark Abraham
• [gmx-users] Obtain the flux of water   Saeid Akbarshahi
  • [gmx-users] Obtain the flux of water   Oliver Beckstein
• [gmx-users] Re: Hi, May I ask you a question about the free energy calculation tutorial?   Justin A. Lemkul
• [gmx-users] Charge fitting   parto haghighi
  • [gmx-users] Charge fitting   David van der Spoel
• [gmx-users] Fw: The results of your email commands   banafsheh mehrazma
  • [gmx-users] Fw: The results of your email commands   Mark Abraham
• [gmx-users] Segmentation fault   Saba Ferdous
  • [gmx-users] Segmentation fault   Mark Abraham
• [gmx-users] grompp error for CNT+surfactant simulation   niaz poorgholami
  • [gmx-users] grompp error for CNT+surfactant simulation   Justin A. Lemkul
• [gmx-users] Reg: Langevine Thermostat   Rohit Farmer
  • [gmx-users] Reg: Langevine Thermostat   Mark Abraham
• [gmx-users] Help with Principal component analysis   Alex Jemulin
  • [gmx-users] Help with Principal component analysis   Mark Abraham
• [gmx-users] free energy and charges   parto haghighi
  • [gmx-users] free energy and charges   Justin A. Lemkul
• [gmx-users] copper and His residues   ljin1988
  • [gmx-users] copper and His residues   xianqiang
    • [gmx-users] copper and His residues   Justin A. Lemkul
      • [gmx-users] copper and His residues   xianqiang
• [gmx-users] combining umbrella sampling with replica exchange   Sanku M
• [gmx-users] make error "Makefile:347: recipe for target `all-recursive' failed" for Gromacs-4.5.5   Rashek Kazi
  • [gmx-users] make error "Makefile:347: recipe for target `all-recursive' failed" for Gromacs-4.5.5   Mark Abraham
    • [gmx-users] make error "Makefile:347: recipe for target `all-recursive' failed" for Gromacs-4.5.5   Rashek Kazi
      • [gmx-users] make error "Makefile:347: recipe for target `all-recursive' failed" for Gromacs-4.5.5   Mark Abraham
• [gmx-users] CHARMM27 Force field   najwa drici
  • [gmx-users] CHARMM27 Force field   Mark Abraham
    • [gmx-users] CHARMM27 Force field   najwa drici
• [gmx-users] pdb files using hex resid   Peter C. Lai
  • [gmx-users] pdb files using hex resid   Mark Abraham
    • [gmx-users] pdb files using hex resid   Peter C. Lai
      • [gmx-users] pdb files using hex resid   Mark Abraham
      • [gmx-users] pdb files using hex resid   Peter C. Lai
      • [gmx-users] pdb files using hex resid   Mark Abraham
      • [gmx-users] pdb files using hex resid   Peter C. Lai
      • [gmx-users] pdb files using hex resid   Mark Abraham
• [gmx-users] Re: Folding rate   bharat gupta
  • [gmx-users] Re: Folding rate   Mark Abraham
    • [gmx-users] Re: Folding rate   bharat gupta
    • [gmx-users] Re: Folding rate   felmerino at uchile.cl
  • [gmx-users] Re: Folding rate   David van der Spoel
• [gmx-users] problem with checking performance   Albert
  • [gmx-users] problem with checking performance   Justin A. Lemkul
• [gmx-users] forcefield.itp file for gromos45a3 and oplsaa   XUEMING TANG
  • [gmx-users] forcefield.itp file for gromos45a3 and oplsaa   Mark Abraham
    • [gmx-users] forcefield.itp file for gromos45a3 and oplsaa   XUEMING TANG
    • [gmx-users] forcefield.itp file for gromos45a3 and oplsaa   Thomas Piggot
• [gmx-users] Help with non-standard residues and molecular structures   Robert Hamers
  • [gmx-users] Help with non-standard residues and molecular structures   Mark Abraham
    • [gmx-users] Help with non-standard residues and molecular structures   Robert Hamers
• [gmx-users] how to plot g_msd in one direction?   Kiwoong Kim
  • [gmx-users] how to plot g_msd in one direction?   Mark Abraham
• [gmx-users] a installation problem of gromacs4.5.4 using mpi   mircial at sjtu.edu.cn
  • [gmx-users] a installation problem of gromacs4.5.4 using mpi   Justin A. Lemkul
• [gmx-users] Free Energy of a mutated molecule   Fabian Casteblanco
• [gmx-users] dihedral   Francesco Oteri
  • [gmx-users] dihedral   Justin A. Lemkul
• [gmx-users] Error in atom type   anu raj
  • [gmx-users] Error in atom type   Mark Abraham
• [gmx-users] problem   Anik Sen
  • [gmx-users] problem   Justin A. Lemkul
• [gmx-users] thanx   Anik Sen
• [gmx-users] tesla vs gtx   Andrzej Rzepiela
  • [gmx-users] tesla vs gtx   Szilárd Páll
• [gmx-users] copper and His residues   ljin1988
• [gmx-users] Re: problem of installing gromacs4.5.4   mircial at sjtu.edu.cn
  • [gmx-users] Re: problem of installing gromacs4.5.4   Mark Abraham
• [gmx-users] strange problem with performance information   Albert
  • [gmx-users] strange problem with performance information   Mark Abraham
• [gmx-users] Cytochrom C   Dariush Mohammadyani
  • [gmx-users] Cytochrom C   Nuno Azoia
  • [gmx-users] Cytochrom C   Justin A. Lemkul
    • [gmx-users] Cytochrom C   Dariush Mohammadyani
      • [gmx-users] Cytochrom C   Robert Hamers
      • [gmx-users] Cytochrom C   Dariush Mohammadyani
      • [gmx-users] Cytochrom C   Peter C. Lai
      • [gmx-users] Cytochrom C   Peter C. Lai
      • [gmx-users] Cytochrom C   Peter C. Lai
      • [gmx-users] Cytochrom C   Krzysztof Kuczera
      • [gmx-users] Cytochrom C   Peter C. Lai
      • [gmx-users] Cytochrom C   Dariush Mohammadyani
      • [gmx-users] Cytochrom C   Dariush Mohammadyani
      • [gmx-users] Cytochrom C   Justin A. Lemkul
      • [gmx-users] Cytochrom C   Dariush Mohammadyani
      • [gmx-users] Cytochrom C   Justin A. Lemkul
      • [gmx-users] Cytochrom C   Krzysztof Kuczera
      • [gmx-users] Cytochrom C   Dariush Mohammadyani
      • [gmx-users] Cytochrom C   Justin A. Lemkul
      • [gmx-users] Cytochrom C   Dariush Mohammadyani
      • [gmx-users] Cytochrom C   Justin A. Lemkul
• [gmx-users] decoupling a group of a molecule   Fabian Casteblanco
• [gmx-users] GROMACS mpispawn error   Chelsea
  • [gmx-users] GROMACS mpispawn error   Mark Abraham
• [gmx-users] another question about performance   Albert
  • [gmx-users] another question about performance   Justin A. Lemkul
  • [gmx-users] another question about performance   Dallas Warren
• [gmx-users] nodes error   Albert
  • [gmx-users] nodes error   Terry
• [gmx-users] NPT error   Albert
• [gmx-users] [~solved] Force field for polymer molecule - tips   Jernej Zidar
• [gmx-users] Re: nodes error   Albert
  • [gmx-users] Re: nodes error   Terry
• [gmx-users] trjconv keeps asking for tpr   Peter C. Lai
  • [gmx-users] trjconv keeps asking for tpr   Peter C. Lai
    • [gmx-users] trjconv keeps asking for tpr   Tsjerk Wassenaar
  • [gmx-users] trjconv keeps asking for tpr   David van der Spoel
• [gmx-users] pbc visualization advice   Peter C. Lai
• [gmx-users] Running_crashed_run   shahid nayeem
  • [gmx-users] Running_crashed_run   Justin A. Lemkul
    • [gmx-users] Running_crashed_run   Peter C. Lai
• [gmx-users] Re: Re: nodes error   Albert
  • [gmx-users] Re: Re: nodes error   Peter C. Lai
  • [gmx-users] Re: Re: nodes error   Justin A. Lemkul
• [gmx-users] NPT error   Albert
• [gmx-users] regarding NVT equilibration   priya thiyagarajan
  • [gmx-users] regarding NVT equilibration   Justin A. Lemkul
• [gmx-users] regarding nvt   priya thiyagarajan
  • [gmx-users] regarding nvt   Peter C. Lai
• [gmx-users] problem with access to Gromacs after installation   Sylwia Chmielewska
  • [gmx-users] problem with access to Gromacs after installation   Peter C. Lai
• [gmx-users] RDF(PMF) and Umbrella sampling   Gavin Melaugh
  • [gmx-users] RDF(PMF) and Umbrella sampling   Justin A. Lemkul
    • [gmx-users] RDF(PMF) and Umbrella sampling   Gavin Melaugh
      • [gmx-users] RDF(PMF) and Umbrella sampling   Justin A. Lemkul
      • [gmx-users] RDF(PMF) and Umbrella sampling   Gavin Melaugh
      • [gmx-users] RDF(PMF) and Umbrella sampling   Gavin Melaugh
      • [gmx-users] RDF(PMF) and Umbrella sampling   Dariush Mohammadyani
      • [gmx-users] RDF(PMF) and Umbrella sampling   Justin A. Lemkul
      • [gmx-users] RDF(PMF) and Umbrella sampling   Gavin Melaugh
      • [gmx-users] RDF(PMF) and Umbrella sampling   Justin A. Lemkul
      • [gmx-users] RDF(PMF) and Umbrella sampling   Gavin Melaugh
      • [gmx-users] RDF(PMF) and Umbrella sampling   Justin A. Lemkul
• [gmx-users] Removing Water Molecules   Steven Neumann
  • [gmx-users] Removing Water Molecules   Justin A. Lemkul
    • [gmx-users] Removing Water Molecules   Steven Neumann
      • [gmx-users] Removing Water Molecules   Justin A. Lemkul
      • [gmx-users] Removing Water Molecules   Steven Neumann
      • [gmx-users] Removing Water Molecules   Justin A. Lemkul
• [gmx-users] Membrane protein simulation: maintain protein in the box centre   Anna Duncan
  • [gmx-users] Membrane protein simulation: maintain protein in the box centre   Peter C. Lai
• [gmx-users] Membrane protein simulation: maintain protein in the box centre   Anna Duncan
• [gmx-users] Nodes problem?   Albert
  • [gmx-users] Nodes problem?   Justin A. Lemkul
• [gmx-users] regarding NVT   priya thiyagarajan
• [gmx-users] regarding rmsd and md   priya thiyagarajan
  • [gmx-users] regarding rmsd and md   Tsjerk Wassenaar
• [gmx-users] regarding NVT   priya thiyagarajan
  • [gmx-users] regarding NVT   Tsjerk Wassenaar
• [gmx-users] regarding NVT   priya thiyagarajan
  • [gmx-users] regarding NVT   Peter C. Lai
  • [gmx-users] regarding NVT   Justin A. Lemkul
• [gmx-users] free energy (coordinates file)   parto haghighi
  • [gmx-users] free energy (coordinates file)   Mark Abraham
• [gmx-users] Energy Calculation   Dhanachandra Singh
• [gmx-users] analysis tools   Juliette N.
  • [gmx-users] analysis tools   Justin A. Lemkul
• [gmx-users] analysis tools   Roland Schulz
• [gmx-users] structure factor   Juliette N.
• [gmx-users] problem with gromacs   Sylwia Chmielewska
  • [gmx-users] problem with gromacs   Mark Abraham
    • [gmx-users] problem with gromacs   Sylwia Chmielewska
      • [gmx-users] problem with gromacs   Mark Abraham
• [gmx-users] Nematic Order Parameter of Organic Liquid Crystals   Serene CHEN Weiyan (IMRE)
• [gmx-users] regarding nvt   priya thiyagarajan
  • [gmx-users] regarding nvt   Mark Abraham
• [gmx-users] Superimposing dissimilar structures   John Ladasky
  • [gmx-users] Superimposing dissimilar structures   Mark Abraham
• [gmx-users] Hello   Nirmal Prasad
  • [gmx-users] Hello   Mark Abraham
    • [gmx-users] Hello   Nirmal Prasad
      • [gmx-users] Hello   Mark Abraham
      • [gmx-users] Hello   Nirmal Prasad
      • [gmx-users] Hello   Mark Abraham
      • [gmx-users] Hello   Nirmal Prasad
      • [gmx-users] Hello   Mark Abraham
      • [gmx-users] Hello   Nirmal Prasad
      • [gmx-users] Hello   Nirmal Prasad
      • [gmx-users] Hello   Mark Abraham
• [gmx-users] Regarding AIB RESIDUE NOT FOUND IN RESIDUE TOPOLOGY DATABASE   ajaniharesh at gmail.com
  • [gmx-users] Regarding AIB RESIDUE NOT FOUND IN RESIDUE TOPOLOGY DATABASE   Mark Abraham
• [gmx-users] Protein Structure Prediction   Steven Neumann
  • Antw: [gmx-users] Protein Structure Prediction   Emanuel Peter
• [gmx-users] RMSD value   madhumita das
  • [gmx-users] RMSD value   Mark Abraham
• [gmx-users] Protein Structure Prediction   Steven Neumann
  • [gmx-users] Protein Structure Prediction   Thomas Evangelidis
    • [gmx-users] Protein Structure Prediction   Steven Neumann
      • [gmx-users] Protein Structure Prediction   Thomas Evangelidis
• [gmx-users] md simulation working fine in serial and badly in parallel   Ester Chiessi
• [gmx-users] certain number of solvent molecules with genbox WITHOUT "ci"/"nmol" options   Vedat Durmaz
  • [gmx-users] certain number of solvent molecules with genbox WITHOUT "ci"/"nmol" options   Mark Abraham
    • [gmx-users] certain number of solvent molecules with genbox WITHOUT "ci"/"nmol" options   Vedat Durmaz
      • [gmx-users] certain number of solvent molecules with genbox WITHOUT "ci"/"nmol" options   Justin A. Lemkul
      • [gmx-users] certain number of solvent molecules with genbox WITHOUT "ci"/"nmol" options   Mark Abraham
      • [gmx-users] certain number of solvent molecules with genbox WITHOUT "ci"/"nmol" options   Vedat Durmaz
• [gmx-users] protein-protein simulation   Guido Leoni
  • [gmx-users] protein-protein simulation   Mark Abraham
• [gmx-users] Error: Expected a molecule type name and nrexcl   Steven Neumann
  • [gmx-users] Error: Expected a molecule type name and nrexcl   Justin A. Lemkul
• [gmx-users] rigid carbon nanotube   niaz poorgholami
  • [gmx-users] rigid carbon nanotube   Justin A. Lemkul
• [gmx-users] source code 4.5.4- structure factor   Juliette N.
  • [gmx-users] source code 4.5.4- structure factor   Justin A. Lemkul
• [gmx-users] maxh not causing termination   Ben Reynwar
  • [gmx-users] maxh not causing termination   Mark Abraham
    • [gmx-users] maxh not causing termination   Ben Reynwar
• [gmx-users] umbrella sampling tutorial quastion   przemek bartha
  • [gmx-users] umbrella sampling tutorial quastion   Justin A. Lemkul
  • [gmx-users] umbrella sampling tutorial quastion   Dariush Mohammadyani
• [gmx-users]-Snapshots   cuong nguyen
  • [gmx-users]-Snapshots   Justin A. Lemkul
    • [gmx-users]-Snapshots   cuong nguyen
• [gmx-users] q question related to gromacsinstallation by cygwin   Dialing Pretty
  • [gmx-users] q question related to gromacsinstallation by cygwin   Mark Abraham
    • [gmx-users] q question related to gromacsinstallation by cygwin   Dialing Pretty
      • [gmx-users] q question related to gromacsinstallation by cygwin   Mark Abraham
  • [gmx-users] dynamic libraries and static libraries   Dialing Pretty
    • [gmx-users] dynamic libraries and static libraries   Javier Cerezo
    • [gmx-users] dynamic libraries and static libraries   Mark Abraham
    • [gmx-users] failure message in GROMACS installation   Dialing Pretty
      • [gmx-users] failure message in GROMACS installation   Mark Abraham
• [gmx-users] how to calculate position displacements ??   Kiwoong Kim
  • [gmx-users] how to calculate position displacements ??   Tsjerk Wassenaar
• [gmx-users] multi file input for index files   ahmet yıldırım
  • [gmx-users] multi file input for index files   Marzinek, Jan
    • [gmx-users] multi file input for index files   ahmet yıldırım
      • [gmx-users] multi file input for index files   Tsjerk Wassenaar
  • [gmx-users] multi file input for index files   Mark Abraham
    • [gmx-users] multi file input for index files   ahmet yıldırım
      • [gmx-users] multi file input for index files   Mark Abraham
• [gmx-users]-Snapshots   Rausch, Felix
• [gmx-users] Energy Minimization   Steven Neumann
  • [gmx-users] Energy Minimization   Mark Abraham
    • [gmx-users] Energy Minimization   Steven Neumann
      • [gmx-users] Energy Minimization   Mark Abraham
      • [gmx-users] Energy Minimization   Steven Neumann
      • [gmx-users] Energy Minimization   Mark Abraham
• [gmx-users] RDF(PMF) and Umbrella sampling   Thomas Schlesier
  • [gmx-users] RDF(PMF) and Umbrella sampling   Gavin Melaugh
• [gmx-users] Mixture of H2O and D2O   Hernan Ahumada
  • [gmx-users] Mixture of H2O and D2O   Mark Abraham
• [gmx-users] homodimer simulation   Kavyashree M
  • [gmx-users] homodimer simulation   Justin A. Lemkul
• [gmx-users] About g_msd. I want to plot the curve from 0.01ps.   Kiwoong Kim
  • [gmx-users] About g_msd. I want to plot the curve from 0.01ps.   Mark Abraham
  • [gmx-users] About g_msd. I want to plot the curve from 0.01ps.   Justin A. Lemkul
• [gmx-users] RDF(PMF) and Umbrella sampling   Thomas Schlesier
• [gmx-users] how to model linear rigid molecules (CO2)   Kiwoong Kim
• [gmx-users] Regarding NVT & NPT ensemble   ajani haresh
  • [gmx-users] Regarding NVT & NPT ensemble   Mark Abraham
• [gmx-users] Re: gmx-users Digest, Vol 93, Issue 52   ajani haresh
  • [gmx-users] Regarding NVT & NPT ensemble   Justin A. Lemkul
• [gmx-users] Coupling groups - Thermostat   Steven Neumann
  • [gmx-users] Coupling groups - Thermostat   Justin A. Lemkul
    • [gmx-users] Coupling groups - Thermostat   Steven Neumann
      • [gmx-users] Coupling groups - Thermostat   Steven Neumann
      • [gmx-users] Coupling groups - Thermostat   Justin A. Lemkul
      • [gmx-users] Coupling groups - Thermostat   Steven Neumann
      • [gmx-users] Coupling groups - Thermostat   Justin A. Lemkul
      • [gmx-users] Coupling groups - Thermostat   Mark Abraham
      • [gmx-users] Coupling groups - Thermostat   Tsjerk Wassenaar
      • [gmx-users] Coupling groups - Thermostat   Mark Abraham
      • [gmx-users] Coupling groups - Thermostat   Tsjerk Wassenaar
      • [gmx-users] Coupling groups - Thermostat   Mark Abraham
• [gmx-users] Concatenating RMSD plots   Rohit Farmer
  • [gmx-users] Concatenating RMSD plots   Justin A. Lemkul
• Fw: [gmx-users] trjconv in martini   mohammad agha
  • Fw: Fw: [gmx-users] trjconv in martini   mohammad agha
  • Fw: [gmx-users] trjconv in martini   Tsjerk Wassenaar
    • Fw: [gmx-users] trjconv in martini   mohammad agha
      • Fw: [gmx-users] trjconv in martini   Tsjerk Wassenaar
      • Fw: [gmx-users] trjconv in martini   mohammad agha
      • Fw: [gmx-users] trjconv in martini   Tsjerk Wassenaar
      • Fw: [gmx-users] trjconv in martini   mohammad agha
• [gmx-users] Re: gmx-users Digest, Vol 93, Issue 54   Rohit Farmer
  • [gmx-users] Concatenating RMSD plots   Justin A. Lemkul
• [gmx-users] HEME topology   Nirmal Prasad
  • [gmx-users] HEME topology   Anik Sen
    • [gmx-users] HEME topology   Justin A. Lemkul
• [gmx-users] (no subject)   Anik Sen
  • [gmx-users] (no subject)   Javier Cerezo
    • [gmx-users] (no subject)   Anik Sen
      • [gmx-users] (no subject)   Mark Abraham
      • [gmx-users] (no subject)   Javier Cerezo
      • [gmx-users] (no subject)   Anik Sen
      • [gmx-users] (no subject)   Mark Abraham
• [gmx-users] Problem with FE-Cys covalent bond   Suman Nandy
  • [gmx-users] Problem with FE-Cys covalent bond   Mark Abraham
    • [gmx-users] Problem with FE-Cys covalent bond   Anthony Cruz Balberdi
• [gmx-users] xtcrev.py script   mohammad agha
• [gmx-users] System blows up   Guido Leoni
  • [gmx-users] System blows up   Mark Abraham
    • [gmx-users] System blows up   Guido Leoni
• [gmx-users] platform dependent fate of a md simulation   Ester Chiessi
  • [gmx-users] platform dependent fate of a md simulation   Mark Abraham
    • [gmx-users] platform dependent fate of a md simulation   Ester Chiessi
      • [gmx-users] platform dependent fate of a md simulation   Mark Abraham
• [gmx-users] Number/name of the last frame in a trajectory   Mirco Wahab
  • [gmx-users] Number/name of the last frame in a trajectory   Mark Abraham
• [gmx-users] Problem in Disulfide Bond between different chain!   Xianwei Wang
• [gmx-users] Problem in Disulfide Bond between different chain!   Xianwei Wang
  • [gmx-users] Problem in Disulfide Bond between different chain!   Mark Abraham
  • Re: [gmx-users] Problem in Disulfide Bond between different chain!   Suman Nandy
    • [gmx-users] Problem in Disulfide Bond between different chain!   Xianwei Wang
• [gmx-users] no output in atm-pair.out   aiswarya pawar
• [gmx-users] 2D simulation of 1 particle in arbitrary analytical potential   Karel Berka
• [gmx-users] compile template.c   Park, Jae Hyun nmn
• [gmx-users] aniline beads   mohammad agha
• [gmx-users] pdb2gmx pairs clarification   Richard Broadbent
• [gmx-users] REMD error   bharat gupta
  • [gmx-users] REMD error   Mark Abraham
    • [gmx-users] unscribe   yp sun
      • [gmx-users] unscribe   Justin A. Lemkul
      • [gmx-users] unscribe   lina
  • [gmx-users] REMD error   lina
    • [gmx-users] REMD error   bharat gupta
      • [gmx-users] REMD error   Mark Abraham
      • [gmx-users] REMD error   bharat gupta
      • [gmx-users] REMD error   Mark Abraham
      • [gmx-users] REMD error   bharat gupta
• [gmx-users] enthalpy of mixing   Juliette N.
• [gmx-users] regarding rmsd plot obtained for less time   priya thiyagarajan
  • [gmx-users] regarding rmsd plot obtained for less time   Mark Abraham
• [gmx-users] Re: gmx-users Digest, Vol 93, Issue 72   Ravi Kumar Venkatraman
• [gmx-users] Regarding Molecular Viewer   Ravi Kumar Venkatraman
• [gmx-users] constrained mdrun about linear rigid molecule ??   Kiwoong Kim
  • [gmx-users] constrained mdrun about linear rigid molecule ??   Mark Abraham
• [gmx-users] Protein angles / single point calculations   Matthias Ernst
  • [gmx-users] Protein angles / single point calculations   Mark Abraham
• [gmx-users] PRODRG charges   gpat at bioacademy.gr
  • [gmx-users] PRODRG charges   Mark Abraham
  • [gmx-users] PRODRG charges   David van der Spoel
• [gmx-users] problem with gromacs   Sylwia Chmielewska
• [gmx-users] Pull code problem: Large fluctuations in pull force in Gromacs 4.5.1 compared to 4.0.5   Emma Eriksson
• [gmx-users] optimum acceptance ratio for REMD   Ben Reynwar
  • [gmx-users] optimum acceptance ratio for REMD   David van der Spoel
• [gmx-users] Graphene - force field   Nilesh Dhumal
  • [gmx-users] Graphene - force field   Mark Abraham
• [gmx-users] difference in Coulomb SR and Coulomb 14?   Saba Ferdous
  • [gmx-users] difference in Coulomb SR and Coulomb 14?   Mark Abraham
• [gmx-users] Failed to lock: md.log. No locks available.   lina
  • [gmx-users] Failed to lock: md.log. No locks available.   Mark Abraham
    • [gmx-users] Failed to lock: md.log. No locks available.   lina
      • [gmx-users] Failed to lock: md.log. No locks available.   Jianguo Li
      • [gmx-users] Failed to lock: md.log. No locks available.   lina
• [gmx-users] beads in martini corse-grained   mohammad agha
• [gmx-users] (no subject)   Turgay Cakmak
• [gmx-users] Constructing covalent bond between protein-ligand complex   Suman Nandy
• [gmx-users] 1-4 Scaling problem of ASN-NAG from GLYCAM   Rashmi
• [gmx-users] pdb2gmx -ss option   Pierre THEVENET
• [gmx-users] Coarse-graining and cut-offs   Thomas Schlesier
  • Antw: [gmx-users] Coarse-graining and cut-offs   Emanuel Peter
• [gmx-users] Umbrella Sampling application   Steven Neumann
• [gmx-users] About spacing in umbrella sampling   vidhya sankar
  • [gmx-users] About spacing in umbrella sampling   Justin A. Lemkul
• [gmx-users] query on 1-4 interaction   Sanku M
• [gmx-users] average force on solute   Sanku M
• [gmx-users] Help about g_hbond and angle cutoff   alejandro esteban blanco munoz
  • [gmx-users] Help about g_hbond and angle cutoff   Justin A. Lemkul
• [gmx-users] Ligand-ligand Tutorial   Hovakim Grabski
  • [gmx-users] Ligand-ligand Tutorial   Justin A. Lemkul
• [gmx-users] position restrain   parto haghighi
  • [gmx-users] position restrain   Justin A. Lemkul
    • [gmx-users] position restrain   Justin A. Lemkul
• [gmx-users] Simulating multiple fragments   R.S.K.Vijayan
• [gmx-users] How to the define the A and B states for the calculation of free energy   xu zhijun
  • [gmx-users] How to the define the A and B states for the calculation of free energy   Justin A. Lemkul
    • [gmx-users] How to the define the A and B states for the calculation of free energy   xu zhijun
      • [gmx-users] How to the define the A and B states for the calculation of free energy   Justin A. Lemkul
      • [gmx-users] How to the define the A and B states for the calculation of free energy   xu zhijun
• [gmx-users] genbox   vidhya sankar
  • [gmx-users] genbox   Mark Abraham
  • [gmx-users] genbox   cuong nguyen
• [gmx-users] pdb2gmx -ss option   pithevenet at free.fr
• [gmx-users] pdb2gmx -ss option   Mark Abraham
  • [gmx-users] pdb2gmx -ss option   pithevenet at free.fr
• [gmx-users] On HBond definition   Mr Bernard Ramos
• [gmx-users] Re: Need help regarding renumtop   Anton Feenstra
• [gmx-users] Infrared   Hernan Ahumada
  • [gmx-users] Infrared   Dmitri Dubov
• [gmx-users] About g_traj, plotting displacement   Kiwoong Kim
  • [gmx-users] About g_traj, plotting displacement   Justin A. Lemkul
• [gmx-users] LINCS warnings and number of cpus   Marani Alessandro
  • [gmx-users] LINCS warnings and number of cpus   Matthew Zwier
    • [gmx-users] LINCS warnings and number of cpus   Marani Alessandro
• [gmx-users] (no subject)   dina dusti
• [gmx-users] Re: LINCS warnings and number of cpus   Dr. Vitaly V. Chaban
  • [gmx-users] Re: LINCS warnings and number of cpus   Marani Alessandro
• [gmx-users] table-potential, why table from r=0->r_c+1?   Thomas Schlesier
  • [gmx-users] table-potential, why table from r=0->r_c+1?   Justin A. Lemkul
• [gmx-users] Announce: Project - Evolutionary Algorithm with Gromacs, Initial results   Rodrigo Faccioli
  • [gmx-users] Announce: Project - Evolutionary Algorithm with Gromacs, Initial results   Alexandre Suman de Araujo
• [gmx-users] Problem with trjconv and centering bilayer.   Ioannis Beis
  • [gmx-users] Problem with trjconv and centering bilayer.   Justin A. Lemkul
• [gmx-users] About solvation   vidhya sankar
  • [gmx-users] About solvation   Justin A. Lemkul
• [gmx-users] Is there a way to omit particles with q=0 from Coulomb-/PME-calculations?   Thomas Schlesier
  • [gmx-users] Is there a way to omit particles with q=0 from Coulomb-/PME-calculations?   Mark Abraham
• [gmx-users] Chemical potential   Steven Neumann
• [gmx-users] Coarse Grained Cytochrom C   Dariush Mohammadyani
  • [gmx-users] Coarse Grained Cytochrom C   XAvier Periole
• [gmx-users] (no subject)   dina dusti
• [gmx-users] walls in martini   mohammad agha
• [gmx-users] Re: Is there a way to omit particles with q=0, from Coulomb-/PME-calculations?   Thomas Schlesier
  • [gmx-users] Re: Is there a way to omit particles with q=0, from Coulomb-/PME-calculations?   Mark Abraham
• [gmx-users] micelle formation   dina dusti
  • [gmx-users] micelle formation   Mark Abraham
• [gmx-users] Question about "nsttcouple"   Size Zheng
  • [gmx-users] Question about "nsttcouple"   Mark Abraham
• [gmx-users] Is there a way to omit particles with, q=0, from Coulomb-/PME-calculations?   Thomas Schlesier
  • [gmx-users] Is there a way to omit particles with, q=0, from Coulomb-/PME-calculations?   Carsten Kutzner
• [gmx-users] Re: Re: Question about "nsttcouple"   Size Zheng
• [gmx-users] micelle formation   dina dusti
• [gmx-users] Re: Is there a way to omit particles with, q=0, from, Coulomb-/PME-calculations?   Thomas Schlesier
• [gmx-users] Add counter-ions using virtual atom???   Kiwoong Kim
  • [gmx-users] Add counter-ions using virtual atom???   Justin A. Lemkul
• [gmx-users] On g_hbond   Mr Bernard Ramos
• [gmx-users] grompp g96angle types error   pithevenet at free.fr
  • [gmx-users] grompp g96angle types error   Justin A. Lemkul
    • [gmx-users] grompp g96angle types error   pithevenet at free.fr
      • [gmx-users] grompp g96angle types error   Justin A. Lemkul
      • [gmx-users] grompp g96angle types error   pithevenet at free.fr
• [gmx-users] Re: Problem with trjconv and centering bilayer.   Ioannis Beis
  • [gmx-users] Re: Problem with trjconv and centering bilayer.   Justin A. Lemkul
• [gmx-users] Can I fix atoms and apply load to another atoms?   Talal E. AlOtaibi
• [gmx-users] non-bonded [exclusions] / [ pairs ] for 56A_CARBO implementation   Jon Kapla
• [gmx-users] Abot genbox and editcon   vidhya sankar
  • [gmx-users] Abot genbox and editcon   Justin A. Lemkul
• [gmx-users] Invalid T coupling input: 1 groups, 2 ref_t values and 2 tau_t values   aiswarya pawar
  • [gmx-users] Invalid T coupling input: 1 groups, 2 ref_t values and 2 tau_t values   Justin A. Lemkul
    • [gmx-users] Invalid T coupling input: 1 groups, 2 ref_t values and 2 tau_t values   aiswarya pawar
• [gmx-users] walls   mohammad agha
• [gmx-users] query about identifying representative snapshots from a 2D FEL   R.S.K.Vijayan
• [gmx-users] COMETS 2012 - 3rd IEEE Track on Collaborative Modeling and Simulation - Call for Papers   Daniele Gianni
• [gmx-users] questions on distance restraints   NG HUI WEN
  • [gmx-users] questions on distance restraints   Tsjerk Wassenaar
    • [gmx-users] questions on distance restraints   NG HUI WEN
      • [gmx-users] option -r2 on g_hbond, a third HB citerion?   Mr Bernard Ramos
      • [gmx-users] option -r2 on g_hbond, a third HB citerion?   Mark Abraham
      • [gmx-users] questions on distance restraints   NG HUI WEN
      • [gmx-users] questions on distance restraints   Justin A. Lemkul
      • [gmx-users] questions on distance restraints   NG HUI WEN
• [gmx-users] GROMOS 53A6 AND charmm36.ff   Magnus Andersson
  • [gmx-users] GROMOS 53A6 AND charmm36.ff   Justin A. Lemkul
• [gmx-users] Regarding trajectory file   Ravi Kumar Venkatraman
  • [gmx-users] Regarding trajectory file   Mark Abraham
    • [gmx-users] Regarding trajectory file   aiswarya pawar
      • AW: [gmx-users] Regarding trajectory file   Rausch, Felix
      • AW: [gmx-users] Regarding trajectory file   Justin A. Lemkul
  • [gmx-users] Regarding trajectory file   Mirco Wahab
• [gmx-users] Error in installation   kumud agarwal
  • [gmx-users] Error in installation   Mark Abraham
    • [gmx-users] Error in installation   ahmet yıldırım
• [gmx-users] pb2gmx SS bond selection   pithevenet at free.fr
  • [gmx-users] pb2gmx SS bond selection   Justin A. Lemkul
• [gmx-users] mdrun-gpu error   aiswarya pawar
  • [gmx-users] mdrun-gpu error   Szilárd Páll
    • [gmx-users] mdrun-gpu error   aiswarya.pawar at gmail.com
      • [gmx-users] mdrun-gpu error   Mark Abraham
      • [gmx-users] mdrun-gpu error   aiswarya pawar
      • [gmx-users] mdrun-gpu error   Mark Abraham
      • [gmx-users] mdrun-gpu error   Szilárd Páll
      • [gmx-users] mdrun-gpu error   aiswarya pawar
      • [gmx-users] mdrun-gpu error   aiswarya pawar
      • [gmx-users] mdrun-gpu error   Szilárd Páll
      • [gmx-users] mdrun-gpu error   aiswarya pawar
      • [gmx-users] mdrun-gpu error   Justin A. Lemkul
      • [gmx-users] mdrun-gpu error   aiswarya pawar
      • [gmx-users] mdrun-gpu error   Justin A. Lemkul
• [gmx-users] Chromophore residue patch in gromacs   bharat gupta
  • [gmx-users] Chromophore residue patch in gromacs   Peter C. Lai
    • [gmx-users] Chromophore residue patch in gromacs   bharat gupta
      • [gmx-users] Chromophore residue patch in gromacs   Mark Abraham
• [gmx-users] Question about Andersen thermostat   Size Zheng
  • [gmx-users] Question about Andersen thermostat   Justin A. Lemkul
• [gmx-users] getting rid of PBC, completely   Chandan Choudhury
  • [gmx-users] getting rid of PBC, completely   Tsjerk Wassenaar
  • [gmx-users] getting rid of PBC, completely   Mark Abraham
    • [gmx-users] getting rid of PBC, completely   Chandan Choudhury
      • [gmx-users] getting rid of PBC, completely   Tsjerk Wassenaar
      • [gmx-users] getting rid of PBC, completely   Chandan Choudhury
      • [gmx-users] getting rid of PBC, completely   Tsjerk Wassenaar
      • [gmx-users] getting rid of PBC, completely   Mark Abraham
• [gmx-users] Chemical Potential   Steven Neumann
• [gmx-users] Chemical Potential   Steven Neumann
  • [gmx-users] Chemical Potential   Ivan Gladich
    • [gmx-users] Chemical Potential   David van der Spoel
    • [gmx-users] Chemical Potential   René Pool
      • [gmx-users] Chemical Potential   Steven Neumann
• [gmx-users] pdb2gmx -ter with cyclic peptide   andrea spitaleri
• [gmx-users] Residue representation   Steven Neumann
• [gmx-users] Problem with Position Restraints (before running SMD)!   Talal E. AlOtaibi
  • [gmx-users] Problem with Position Restraints (before running SMD)!   Justin A. Lemkul
  • [gmx-users] Problem with Position Restraints (before running SMD)!   Justin A. Lemkul
• [gmx-users] How to find Hbonding partner   Sanku M
  • [gmx-users] How to find Hbonding partner   Justin A. Lemkul
• [gmx-users] writing checkpoints   Dr. Vitaly V. Chaban
• [gmx-users] Reg: Number of nodes in REMD   Rohit Farmer
  • [gmx-users] Reg: Number of nodes in REMD   Justin A. Lemkul
• [gmx-users] Problem with Position Restraints (before running SMD)!   Justin A. Lemkul
• [gmx-users] sudden jumps in RMSD etc.   Yun Shi
  • [gmx-users] sudden jumps in RMSD etc.   Mark Abraham
• [gmx-users] query on g_sorient   Sanku M
  • [gmx-users] query on g_sorient   Justin A. Lemkul
• [gmx-users] Lincs warnings   Ben Porebski
• [gmx-users] Lincs warnings   Mark Abraham
• [gmx-users] Regarding ngmx with double precision   Ravi Kumar Venkatraman
  • [gmx-users] Regarding ngmx with double precision   Mark Abraham
• [gmx-users] How to balance charge for modeling N2 molecules   Kiwoong Kim
  • [gmx-users] How to balance charge for modeling N2 molecules   Mark Abraham
• [gmx-users] problem in finding gromos53a6.ff   Anushree Tripathi
  • [gmx-users] problem in finding gromos53a6.ff   Nuno Azoia
  • [gmx-users] problem in finding gromos53a6.ff   Justin A. Lemkul
• [gmx-users] Reg: REMD error   Rohit Farmer
  • [gmx-users] Reg: REMD error   Justin A. Lemkul
• [gmx-users] table potential   mohammad agha
• [gmx-users] Model N2 molecules   Kiwoong Kim
  • [gmx-users] Model N2 molecules   Mark Abraham
    • [gmx-users] Model N2 molecules   Kiwoong Kim
      • [gmx-users] Model N2 molecules   Mark Abraham
      • [gmx-users] Model N2 molecules   Kiwoong Kim
      • [gmx-users] Model N2 molecules   David van der Spoel
  • [gmx-users] Model N2 molecules   David van der Spoel
• [gmx-users] Gromacs on GPU   aiswarya.pawar at gmail.com
  • [gmx-users] Gromacs on GPU   Esteban Gabriel Vega Hissi
• [gmx-users] (no subject)   Yoshus Kumka
  • [gmx-users] (no subject)   Justin A. Lemkul
• [gmx-users] Reg: REMD result   Rohit Farmer
  • [gmx-users] Reg: REMD result   Justin A. Lemkul
• [gmx-users] Problem with Position Restraints (before running SMD)!   Justin A. Lemkul
• [gmx-users] unfold the coordinates   Chandan Choudhury
  • [gmx-users] unfold the coordinates   Mark Abraham
• [gmx-users] FEP for ligand mutation   Sanku M
  • [gmx-users] FEP for ligand mutation   Mark Abraham
• [gmx-users] Implicit solvent model in Gromacs   Gianluca Interlandi
  • [gmx-users] Implicit solvent model in Gromacs   Mark Abraham
  • [gmx-users] Implicit solvent model in Gromacs   lina
    • [gmx-users] Implicit solvent model in Gromacs   Justin A. Lemkul
      • [gmx-users] Implicit solvent model in Gromacs   lina
• [gmx-users] problem in creating forcefield.doc   Anushree Tripathi
  • [gmx-users] problem in creating forcefield.doc   Mark Abraham
    • [gmx-users] problem in creating forcefield.doc   Anushree Tripathi
      • AW: [gmx-users] problem in creating forcefield.doc   Rausch, Felix
      • [gmx-users] problem in creating forcefield.doc   Mark Abraham
• [gmx-users] Regarding Extracting Coordinates of Solvent in FCS alone   Ravi Kumar Venkatraman
  • [gmx-users] Regarding Extracting Coordinates of Solvent in FCS alone   Mark Abraham
• [gmx-users] Gromacs and CHARMM silicate force field   Gianluca Interlandi
  • [gmx-users] Gromacs and CHARMM silicate force field   Mark Abraham
  • [gmx-users] Monte Carlo with Gromacs and implicit solvent   Gianluca Interlandi
    • [gmx-users] Monte Carlo with Gromacs and implicit solvent   Rodrigo Faccioli
      • [gmx-users] Monte Carlo with Gromacs and implicit solvent   Gianluca Interlandi
      • [gmx-users] Monte Carlo with Gromacs and implicit solvent   Rodrigo Faccioli
      • [gmx-users] Monte Carlo with Gromacs and implicit solvent   Rodrigo Faccioli
      • [gmx-users] Monte Carlo with Gromacs and implicit solvent   Pool, R.
      • [gmx-users] Monte Carlo with Gromacs and implicit solvent   René Pool
      • [gmx-users] Monte Carlo with Gromacs and implicit solvent   Gianluca Interlandi
      • [gmx-users] Monte Carlo with Gromacs and implicit solvent   Gianluca Interlandi
      • [gmx-users] Monte Carlo with Gromacs and implicit solvent   Kiwoong Kim
      • [gmx-users] Monte Carlo with Gromacs and implicit solvent   René Pool
      • [gmx-users] Monte Carlo with Gromacs and implicit solvent   Pool, R.
      • [gmx-users] Monte Carlo with Gromacs and implicit solvent   Gianluca Interlandi
      • [gmx-users] Monte Carlo with Gromacs and implicit solvent   Pool, R.
      • [gmx-users] Monte Carlo with Gromacs and implicit solvent   Gianluca Interlandi
      • [gmx-users] Monte Carlo with Gromacs and implicit solvent   Mark Abraham
      • [gmx-users] Exchange interval in REMD   Gianluca Interlandi
      • [gmx-users] Exchange interval in REMD   Mark Abraham
      • [gmx-users] Exchange interval in REMD   Gianluca Interlandi
      • [gmx-users] Exchange interval in REMD   David van der Spoel
      • [gmx-users] Exchange interval in REMD   Gianluca Interlandi
      • [gmx-users] Exchange interval in REMD   Michael Shirts
    • [gmx-users] Monte Carlo with Gromacs and implicit solvent   Mark Abraham
• [gmx-users] Partial charges of new RES in Charmm   Steven Neumann
  • [gmx-users] Re: Partial charges of new RES in Charmm   Steven Neumann
  • [gmx-users] Partial charges of new RES in Charmm   Mark Abraham
• [gmx-users] problem in generation of tpr file   Anushree Tripathi
  • [gmx-users] problem in generation of tpr file   Justin A. Lemkul
    • [gmx-users] problem in generation of tpr file   Anushree Tripathi
      • [gmx-users] problem in generation of tpr file   Mark Abraham
• [gmx-users] regarding box dimension and number of solvent molecules   priya thiyagarajan
  • [gmx-users] regarding box dimension and number of solvent molecules   Mark Abraham
• [gmx-users] a problem with grompp   Banafsheh Mehrazma
  • [gmx-users] a problem with grompp   Mark Abraham
• [gmx-users] Tabulated potentials   Laura Leay
• [gmx-users] About g_rms and the XPM file format   Víctor
  • [gmx-users] About g_rms and the XPM file format   Tsjerk Wassenaar
    • [gmx-users] About g_rms and the XPM file format   Víctor
  • [gmx-users] About g_rms and the XPM file format   lina
    • [gmx-users] About g_rms and the XPM file format   Víctor
      • [gmx-users] About g_rms and the XPM file format   Víctor
• [gmx-users] multiple molecules in a box   Turgay Cakmak
  • [gmx-users] multiple molecules in a box   Justin A. Lemkul
• [gmx-users] force field   lina
  • [gmx-users] force field   Mark Abraham
• [gmx-users] Molecular Modelling Workshop 2012 in Erlangen, Germany   Harald Lanig
• [gmx-users] PSF file in martini force field   Li, Hualin
• [gmx-users] PSF file in martini force field   Li, Hualin
  • [gmx-users] PSF file in martini force field   Mark Abraham
    • [gmx-users] PSF file in martini force field   Li, Hualin
      • [gmx-users] PSF file in martini force field   Mark Abraham
• [gmx-users] Installing & uninstalling of gromacs   Spring buds
  • [gmx-users] Installing & uninstalling of gromacs   lina
    • [gmx-users] Installing & uninstalling of gromacs   Spring buds
      • [gmx-users] Installing & uninstalling of gromacs   lina
      • [gmx-users] Installing & uninstalling of gromacs   Spring buds
      • [gmx-users] Installing & uninstalling of gromacs   Justin A. Lemkul
      • [gmx-users] Installing & uninstalling of gromacs   Spring buds
      • [gmx-users] Installing & uninstalling of gromacs   Justin A. Lemkul
      • [gmx-users] Installing & uninstalling of gromacs   Mark Abraham
      • [gmx-users] Installing & uninstalling of gromacs   Spring buds
• [gmx-users] regarding boxtype and numer of solvent molecules..   priya thiyagarajan
  • [gmx-users] regarding boxtype and numer of solvent molecules..   Mark Abraham
• [gmx-users] a query   Anik Sen
  • [gmx-users] a query   Mark Abraham
    • [gmx-users] a query   Anik Sen
      • [gmx-users] a query   Mark Abraham
• [gmx-users] h-bonds constraints for DPPC sim?   gpat at bioacademy.gr
• [gmx-users] -fitall option problems   Víctor
  • [gmx-users] -fitall option problems   Justin A. Lemkul
    • [gmx-users] -fitall option problems   Tsjerk Wassenaar
• [gmx-users] getting started with gromacs   kumud agarwal
  • [gmx-users] getting started with gromacs   Justin A. Lemkul
    • [gmx-users] getting started with gromacs   kumud agarwal
      • [gmx-users] getting started with gromacs   Justin A. Lemkul
      • [gmx-users] getting started with gromacs   kumud agarwal
      • [gmx-users] getting started with gromacs   Justin A. Lemkul
      • [gmx-users] getting started with gromacs   kumud agarwal
      • [gmx-users] getting started with gromacs   Justin A. Lemkul
      • [gmx-users] getting started with gromacs   kumud agarwal
      • [gmx-users] getting started with gromacs   Justin A. Lemkul
• [gmx-users] pdb2gmx changes conformation?   192.168.100.1
  • [gmx-users] pdb2gmx changes conformation?   Tsjerk Wassenaar
• [gmx-users] installation problem   Jose Tusell
  • [gmx-users] Re: installation problem   Jose Tusell
• [gmx-users] protein in solution   Yao Yao
  • [gmx-users] protein in solution   Justin A. Lemkul
• [gmx-users] adding hydrogen   lina
  • [gmx-users] adding hydrogen   Krzysztof Kuczera
• [gmx-users] Query regarding energy minimization for packing the lipids around the protein   Anushree Tripathi
  • [gmx-users] Query regarding energy minimization for packing the lipids around the protein   Mark Abraham
  • [gmx-users] Query regarding energy minimization for packing the lipids around the protein   Justin A. Lemkul
• [gmx-users] topology missing   Anik Sen
  • [gmx-users] topology missing   Mark Abraham
• [gmx-users] a question in energy minimization step   Banafsheh Mehrazma
  • [gmx-users] a question in energy minimization step   Mark Abraham
• [gmx-users] gromacs installtion error   venkatesh s
  • [gmx-users] gromacs installtion error   Justin A. Lemkul
• [gmx-users] pmf contradicts <E_pot>   alexander yakovenko
• [gmx-users] topolbuild1_3:Illegal characters for size information line in mol2 file.   Tom
  • [gmx-users] Re: topolbuild1_3:Illegal characters for size information line in mol2 file.   Bruce D. Ray
• [gmx-users] System Exploding   Alex Seling
  • [gmx-users] System Exploding   Mark Abraham
    • [gmx-users] System Exploding   Alex Seling
      • [gmx-users] System Exploding   Justin A. Lemkul
• [gmx-users] regarding number of molecules effect   priya thiyagarajan
  • [gmx-users] regarding number of molecules effect   Mark Abraham
• [gmx-users] GROMACS_reverse version command g_fg2cg   francesca vitalini
• [gmx-users] Job crashed   Steven Neumann
  • [gmx-users] Job crashed   Justin A. Lemkul
• [gmx-users] The Kepler technology   SebastianWaltz
• [gmx-users] GROMACS_reverse version command g_fg2cg   francesca vitalini
• [gmx-users] Free Energy tutorial - choosing number of solvent molecules   Fabian Casteblanco
  • [gmx-users] Free Energy tutorial - choosing number of solvent molecules   Justin A. Lemkul
  • [gmx-users] Re: Free Energy tutorial - choosing number of solvent molecules   Fabian Casteblanco
    • [gmx-users] Re: Free Energy tutorial - choosing number of solvent molecules   Justin A. Lemkul
• [gmx-users] g_mindist on 51-frame trajectory gives 51 minimum distances but <51 atom pairs   Matthew Zwier
  • [gmx-users] g_mindist on 51-frame trajectory gives 51 minimum distances but <51 atom pairs   Peter C. Lai
    • [gmx-users] g_mindist on 51-frame trajectory gives 51 minimum distances but <51 atom pairs   Matthew Zwier
  • [gmx-users] Re: g_mindist on 51-frame trajectory gives 51 minimum distances but <51 atom pairs   Matthew Zwier
• [gmx-users] isodensity surface   Nidhi Katyal
  • [gmx-users] isodensity surface   Nidhi Katyal
    • [gmx-users] isodensity surface   Sanku M
• [gmx-users] The conversion from gromacs to amber   Tanping Li
  • [gmx-users] The conversion from gromacs to amber   Mark Abraham
• [gmx-users] non-bonded interactions energies   Naomi Fox
  • [gmx-users] non-bonded interactions energies   Mark Abraham
    • [gmx-users] non-bonded interactions energies   Naomi Fox
      • [gmx-users] non-bonded interactions energies   Justin A. Lemkul
      • [gmx-users] non-bonded interactions energies   Naomi Fox
      • [gmx-users] non-bonded interactions energies   Justin A. Lemkul
• [gmx-users] Wildcards and dihedral type 9   Antila Hanne
  • [gmx-users] Wildcards and dihedral type 9   Mark Abraham
    • [gmx-users] Wildcards and dihedral type 9   Mark Abraham
• [gmx-users] (no subject)   Anik Sen
• [gmx-users] A query   Anik Sen
  • [gmx-users] A query   Mark Abraham
• [gmx-users] rules of thumb to select a cutoff for clustering   Thomas Evangelidis
• [gmx-users] MMPBSA   shahid nayeem
  • [gmx-users] MMPBSA   Mark Abraham
• [gmx-users] reverse transformation   francesca vitalini
• [gmx-users] high forces   francesco oteri
• [gmx-users] NAMD file (.inp) convert to GROMACS format   Dariush Mohammadyani
  • [gmx-users] NAMD file (.inp) convert to GROMACS format   Justin A. Lemkul
    • [gmx-users] NAMD file (.inp) convert to GROMACS format   Dariush Mohammadyani
      • [gmx-users] NAMD file (.inp) convert to GROMACS format   Justin A. Lemkul
      • [gmx-users] NAMD file (.inp) convert to GROMACS format   Dariush Mohammadyani
• [gmx-users] g_kinetics and data.xvg file   saber naderi
• [gmx-users] Gromacs on GPU   Ben Hall
  • [gmx-users] Gromacs on GPU   Matthew Lardy
    • [gmx-users] Gromacs on GPU   Justin A. Lemkul
• [gmx-users] diffusion coeffecient/constant   Ramya Parthasarathi
• [gmx-users] can mdrun append output files without the proper .cpt?   Alex Marshall
• [gmx-users] (no subject)   James Starlight
• [gmx-users] Simulation of membrane protein in vacuu   James Starlight
• [gmx-users] umbrella-drug   parto haghighi
  • [gmx-users] umbrella-drug   Justin A. Lemkul
  • [gmx-users] umbrella-drug   lina
• [gmx-users] the difference between fixing and freezing and position restraint   Banafsheh Mehrazma
  • [gmx-users] the difference between fixing and freezing and position restraint   Justin A. Lemkul
• [gmx-users] free energy tutorial 6   murat özçelik
  • [gmx-users] free energy tutorial 6   Justin A. Lemkul
• [gmx-users] Gromacs on GPU   Benjamin Hall
  • [gmx-users] Gromacs on GPU   Justin A. Lemkul
  • [gmx-users] Gromacs on GPU   Matthew Lardy
  • [gmx-users] Gromacs on GPU   Matthew Lardy
• [gmx-users] Force Field for Vacuum simulation   James Starlight
  • [gmx-users] Force Field for Vacuum simulation   David van der Spoel
    • [gmx-users] Force Field for Vacuum simulation   James Starlight
      • [gmx-users] Force Field for Vacuum simulation   Justin A. Lemkul
      • [gmx-users] Force Field for Vacuum simulation   James Starlight
      • [gmx-users] Force Field for Vacuum simulation   Justin A. Lemkul
      • [gmx-users] Force Field for Vacuum simulation   David van der Spoel
      • [gmx-users] Force Field for Vacuum simulation   James Starlight
      • [gmx-users] Force Field for Vacuum simulation   Peter C. Lai
• [gmx-users] root-mean-square distance   dina dusti
  • [gmx-users] root-mean-square distance   Tsjerk Wassenaar
    • [gmx-users] root-mean-square distance   dina dusti
      • [gmx-users] root-mean-square distance   Tsjerk Wassenaar
      • [gmx-users] root-mean-square distance   dina dusti
• [gmx-users] umbrella-drug   parto haghighi
  • [gmx-users] umbrella-drug   Justin A. Lemkul
• [gmx-users] Free energy tutorial 6   murat özçelik
  • [gmx-users] Free energy tutorial 6   Justin A. Lemkul
• [gmx-users] Re: Gromacs on GPU   Benjamin Hall
  • [gmx-users] Re: Gromacs on GPU   Justin A. Lemkul
• [gmx-users] simulation killed   mehmet kıytak
  • [gmx-users] simulation killed   Peter C. Lai
    • [gmx-users] simulation killed   murat özçelik
      • [gmx-users] simulation killed   lina
      • [gmx-users] simulation killed   murat özçelik
      • [gmx-users] simulation killed   Mark Abraham
      • [gmx-users] simulation killed   mehmet kıytak
      • [gmx-users] simulation killed   Mark Abraham
      • [gmx-users] simulation killed   lina
      • [gmx-users] simulation killed   Justin A. Lemkul
      • [gmx-users] simulation killed   lina
      • [gmx-users] simulation killed   mehmet kıytak
      • [gmx-users] simulation killed   Justin A. Lemkul
• [gmx-users] box changes its shape !   Kowsar Bagherzadeh
  • [gmx-users] box changes its shape !   Mark Abraham
• [gmx-users] Trajectory   Steven Neumann
  • [gmx-users] Trajectory   lina
  • [gmx-users] Trajectory   Mark Abraham
    • [gmx-users] Trajectory   Steven Neumann
      • [gmx-users] Trajectory   Justin A. Lemkul
      • [gmx-users] Trajectory   Steven Neumann
      • [gmx-users] Trajectory   Justin A. Lemkul
      • [gmx-users] Trajectory   Mark Abraham
• [gmx-users] problem with calculating SASA   Maryam Hamzehee
  • [gmx-users] problem with calculating SASA   Justin A. Lemkul
• [gmx-users] How to calculate hydration of lipid headgroups by minimum distance means   Ioannis Beis
  • [gmx-users] How to calculate hydration of lipid headgroups by minimum distance means   Mark Abraham
• [gmx-users] isodensity surface   Nidhi Katyal
  • [gmx-users] isodensity surface   Justin A. Lemkul
• [gmx-users] Assigning protonation states using Amber ff   Zoe Hall
  • [gmx-users] Assigning protonation states using Amber ff   Mark Abraham
• [gmx-users] problems with KALP-15 IN DPPC tutorial   scaprari at uniroma3.it
  • [gmx-users] problems with KALP-15 IN DPPC tutorial   Justin A. Lemkul
• [gmx-users] Question about pull simulation   Gideon Lapidoth
  • [gmx-users] Question about pull simulation   Justin A. Lemkul
• [gmx-users] help with ed sampling   Neva bsk
• [gmx-users] Re: gmx-users Digest, Vol 93, Issue 169   Ioannis Beis
• [gmx-users] Re: How to calculate hydration of lipid headgroups by minimum distance means   Ioannis Beis
• [gmx-users] Residual Fraction with respect to coordinate   Steven Neumann
  • [gmx-users] Residual Fraction with respect to coordinate   Mark Abraham
• [gmx-users] Hypericin interaction with DNA molecule   Hovakim Grabski
  • [gmx-users] Hypericin interaction with DNA molecule   Justin A. Lemkul
• [gmx-users] Dihedral potential with chirality   Li SUN
  • [gmx-users] Dihedral potential with chirality   Mark Abraham
    • [gmx-users] Dihedral potential with chirality   Li SUN
      • [gmx-users] Dihedral potential with chirality   Mark Abraham
      • [gmx-users] Dihedral potential with chirality   Li SUN
      • [gmx-users] Dihedral potential with chirality   David van der Spoel
• [gmx-users] problem with energy minimization   Anushree Tripathi
  • [gmx-users] problem with energy minimization   Mark Abraham
  • [gmx-users] problem with energy minimization   Emanuel Birru
    • [gmx-users] problem with energy minimization   Anushree Tripathi
      • [gmx-users] problem with energy minimization   Tsjerk Wassenaar
      • [gmx-users] problem with energy minimization   Emanuel Birru
      • [gmx-users] problem with energy minimization   Mark Abraham
• [gmx-users] problem with volume equilibration   Anushree Tripathi
  • [gmx-users] problem with volume equilibration   Mark Abraham
    • [gmx-users] problem with volume equilibration   Anushree Tripathi
      • [gmx-users] problem with volume equilibration   Mark Abraham
  • [gmx-users] problem with volume equilibration   Kowsar Bagherzadeh
• [gmx-users] problem with making index.ndx   Anushree Tripathi
  • [gmx-users] problem with making index.ndx   Mark Abraham
  • [gmx-users] problem with making index.ndx   Kowsar Bagherzadeh
  • [gmx-users] problem with making index.ndx   Justin A. Lemkul
• [gmx-users] Restraints for specific residues   Андрей Гончар
  • [gmx-users] Restraints for specific residues   Mark Abraham
    • [gmx-users] Restraints for specific residues   Андрей Гончар
      • [gmx-users] Restraints for specific residues   Mark Abraham
      • [gmx-users] Restraints for specific residues   Андрей Гончар
• [gmx-users] g_rdf   mohammad agha
  • [gmx-users] g_rdf   mohammad agha
  • [gmx-users] g_rdf   Dallas Warren
• [gmx-users] A query   Anik Sen
  • [gmx-users] A query   Mark Abraham
• [gmx-users] develop parameters for small molecules   Qinghua Liao
  • [gmx-users] develop parameters for small molecules   David van der Spoel
• [gmx-users] umbrella curve   parto haghighi
  • [gmx-users] umbrella curve   Justin A. Lemkul
• [gmx-users] mdrun on GROMACS 3.3.1   francesca vitalini
  • [gmx-users] mdrun on GROMACS 3.3.1   Justin A. Lemkul
    • [gmx-users] mdrun on GROMACS 3.3.1   Francesca Vitalini
      • [gmx-users] mdrun on GROMACS 3.3.1   Justin A. Lemkul
      • [gmx-users] mdrun on GROMACS 3.3.1   Francesca Vitalini
      • [gmx-users] mdrun on GROMACS 3.3.1   francesca vitalini
      • [gmx-users] mdrun on GROMACS 3.3.1   Justin A. Lemkul
• [gmx-users] problem with calculating SASA   Justin A. Lemkul
• [gmx-users] Installing GMX-GPU 4.5.5   Efrat Exlrod
  • [gmx-users] Installing GMX-GPU 4.5.5   Андрей Гончар
• [gmx-users] Re: Assigning protonation states using Amber ff   intra\sa175950
• [gmx-users] g_dist   dina dusti
• [gmx-users] Re: Thanks for your help!   Bruce D. Ray
• [gmx-users] Problem Compiling grogui with plotting.   Stephen P. Molnar
• [gmx-users] make_ndx select atoms from different residues   Zhuyi Xue

Last message date: Tue Jan 31 23:42:36 CET 2012
Archived on: Thu Nov 14 12:12:14 CET 2013

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