June 2007 Archives by thread

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Starting: Fri Jun 1 02:37:25 CEST 2007
Ending: Sat Jun 30 20:55:03 CEST 2007
Messages: 511

• [gmx-users] about CNT simulation   Mark Abraham
• [gmx-users] web page error on "Downloads Home » Contributed software"   chris.neale at utoronto.ca
  • Re: [gmx-users] web page error on "Downloads Home » Contributed software"   David van der Spoel
• [gmx-users] Regarding membrane protein solvation   naga raju
• [gmx-users] protein-DNA simulation with Amber port   Alaguraj Veluchamy
  • [gmx-users] protein-DNA simulation with Amber port   TJ Piggot
    • [gmx-users] protein-DNA simulation with Amber port   Erik Marklund
      • [gmx-users] protein-DNA simulation with Amber port   TJ Piggot
      • [gmx-users] protein-DNA simulation with Amber port   Mark Abraham
      • [gmx-users] protein-DNA simulation with Amber port   TJ Piggot
    • [gmx-users] protein-DNA simulation with Amber port   Yang Ye
• [gmx-users] Regarding membrane protein solvation   Alan Dodd
• [gmx-users] OT: script to mutate residues   Martin Höfling
  • [gmx-users] OT: script to mutate residues   Erik Marklund
    • [gmx-users] OT: script to mutate residues   Martin Höfling
• [gmx-users] combination rules   priyanka srivastava
  • [gmx-users] combination rules   Mark Abraham
    • [gmx-users] combination rules   priyanka srivastava
      • [gmx-users] combination rules   David van der Spoel
• [Fwd: Re: [gmx-users] QMMM free energy]   David Mobley
• [gmx-users] web page error on "Downloads Home » Contributed software"   chris.neale at utoronto.ca
• [gmx-users] Walls & table-based potentials   Brett Olsen
  • [gmx-users] Walls & table-based potentials   Berk Hess
• [gmx-users] simulation   abhishek sharma
  • [gmx-users] simulation   Mark Abraham
• [gmx-users] RE: Regarding membrane protein solvation   naga raju
• [gmx-users] simulating copper nano particles   abhishek sharma
  • [gmx-users] simulating copper nano particles   Mark Abraham
  • [gmx-users] simulating copper nano particles   David van der Spoel
• [gmx-users] Coordinates in hdel.top and hdel.gro not matching   Alaguraj Veluchamy
  • [gmx-users] Coordinates in hdel.top and hdel.gro not matching   David van der Spoel
    • [gmx-users] Coordinates in hdel.top and hdel.gro not matching   Erik Marklund
• [gmx-users] GROMACS not scaling well with Core4 Quad technology CPUs   Trevor Marshall
• [gmx-users] genbox problem with micelle   Alif M Latif
  • [gmx-users] genbox problem with micelle   Mark Abraham
  • [gmx-users] genbox problem with micelle   Martin Höfling
  • [gmx-users] genbox problem with micelle   David van der Spoel
• [gmx-users] problem with the output file of g_density   OZGE ENGIN
  • [gmx-users] problem with the output file of g_density   Mark Abraham
• [gmx-users] g_rms recognition of xtc files   Beevers, Andrew
  • [gmx-users] g_rms recognition of xtc files   Mark Abraham
• [gmx-users] popc.itp   mahbubeh zarrabi
  • [gmx-users] popc.itp   Mark Abraham
• [gmx-users] adding a new atom type (Fe2+)   Shahrokh Safarian
  • [gmx-users] adding a new atom type (Fe2+)   Mark Abraham
• [gmx-users] Re: genbox problem with micelle   chris.neale at utoronto.ca
• [gmx-users] Question about CNT simulation   bo yang
  • [gmx-users] Question about CNT simulation   Robert Johnson
  • [gmx-users] Question about CNT simulation   Mark Abraham
• [gmx-users] Re: genbox problem with micelle   Alif M Latif
  • [gmx-users] Re: genbox problem with micelle   Mark Abraham
• [gmx-users] colour   abhishek sharma
  • [gmx-users] colour   David van der Spoel
  • [gmx-users] colour   Mark Abraham
• [gmx-users] tpbconv restart crashing on 3.3.1   Alan Dodd
  • [gmx-users] tpbconv restart crashing on 3.3.1   Lars Schaefer
    • [gmx-users] tpbconv restart crashing on 3.3.1   Mark Abraham
  • [gmx-users] tpbconv restart crashing on 3.3.1   David van der Spoel
• [gmx-users] constrain atoms at the moving sites   Xinghua Shi
  • [gmx-users] constrain atoms at the moving sites   Mark Abraham
• [gmx-users] using old energies   lorix
  • [gmx-users] using old energies   David van der Spoel
• [gmx-users] Parameter QMcharge does not work with Gromacs-CPMD   Pradip K Biswas
• [gmx-users] Question about ffamber in Gromacs   bo yang
  • [gmx-users] Question about ffamber in Gromacs   Mark Abraham
• [gmx-users] editconf (protein+bilayer)   mahbubeh zarrabi
  • [gmx-users] editconf (protein+bilayer)   David van der Spoel
• [gmx-users] Problem in genion   C.RAMYA
  • [gmx-users] Problem in genion   David van der Spoel
    • [gmx-users] Problem in genion   Diego Enry
    • [gmx-users] Problem in genion   C.RAMYA
      • [gmx-users] Problem in genion   David van der Spoel
      • [gmx-users] Problem in genion   Mark Abraham
• [gmx-users] request for help to prepare a 111 gold surface   jagannath mondal
• [gmx-users] g_msd and make_ndx   toma0052
  • [gmx-users] g_msd and make_ndx   David van der Spoel
• [gmx-users] pdb files   Sagittarius
  • [gmx-users] pdb files   Mark Abraham
    • [gmx-users] pdb files   Sagittarius
      • [gmx-users] pdb files   Mark Abraham
    • [gmx-users] pdb files   Dallas B. Warren
      • [gmx-users] pdb files   David van der Spoel
• [gmx-users] g_hbond (method)   Anil Kumar
  • [gmx-users] g_hbond (method)   David van der Spoel
• [gmx-users] Problem using mdrun   C.RAMYA
  • [gmx-users] Problem using mdrun   Mark Abraham
• [gmx-users] re: g_msd and make_ndx   chris.neale at utoronto.ca
• [gmx-users] Individual energies of amino acids   abhigna polavarapu
  • [gmx-users] Individual energies of amino acids   Mark Abraham
  • [gmx-users] Fwd: Individual energies of amino acids   abhigna polavarapu
    • [gmx-users] Fwd: Individual energies of amino acids   David van der Spoel
    • [gmx-users] Fwd: Individual energies of amino acids   Mark Abraham
• [gmx-users] How to Run Gromacs   bptilaka at mail.uh.edu
  • [gmx-users] How to Run Gromacs   Mark Abraham
    • [gmx-users] How to Run Gromacs   bptilaka at mail.uh.edu
      • [gmx-users] How to Run Gromacs   David van der Spoel
      • [gmx-users] How to Run Gromacs   bptilaka at mail.uh.edu
      • [gmx-users] How to Run Gromacs   David van der Spoel
• [gmx-users] Coordinate file does not match topology   Sheyore Omovie
  • [gmx-users] Coordinate file does not match topology   Mark Abraham
• [gmx-users] Re: gmx-users Digest, Vol 38, Issue 14   M.N. Manoj
• [gmx-users] Coordinate file does not match topology   Alan Dodd
  • [gmx-users] Coordinate file does not match topology   Sheyore Omovie
    • [gmx-users] Coordinate file does not match topology   Justin Lemkul
    • [gmx-users] Coordinate file does not match topology   Yang Ye
      • [gmx-users] Coordinate file does not match topology   Sheyore Omovie
      • [gmx-users] Coordinate file does not match topology   Yang Ye
      • [gmx-users] Coordinate file does not match topology   Sheyore Omovie
      • [gmx-users] Coordinate file does not match topology   David van der Spoel
      • [gmx-users] Coordinate file does not match topology   Yang Ye
      • [gmx-users] Coordinate file does not match topology   Sheyore Omovie
• [gmx-users] AIX 5.3 compilation error   Marius Retegan
  • [gmx-users] AIX 5.3 compilation error   David van der Spoel
• [gmx-users] adding counter ions   OZGE ENGIN
  • [gmx-users] adding counter ions   Erik Marklund
  • [gmx-users] adding counter ions   Mark Abraham
• [gmx-users] template.c   Pedro Alexandre de Araújo Gomes Lapido Loureiro
  • [gmx-users] template.c   David van der Spoel
    • [gmx-users] template.c   Pedro Alexandre de Araújo Gomes Lapido Loureiro
      • [gmx-users] template.c   David van der Spoel
• [gmx-users] g_chi -all   Anthony Linares
• [gmx-users] protein in hole   mahbubeh zarrabi
  • [gmx-users] protein in hole   David van der Spoel
    • [gmx-users] protein in hole   mahbubeh zarrabi
      • [gmx-users] protein in hole   David van der Spoel
• [gmx-users] Regarding mdrun segmentation fault in cluster   naga raju
  • [gmx-users] Regarding mdrun segmentation fault in cluster   David van der Spoel
  • [gmx-users] Regarding mdrun segmentation fault in cluster   steletch at jouy.inra.fr
    • [gmx-users] Regarding mdrun segmentation fault in cluster   David van der Spoel
• [gmx-users] Stuck --> unstuck ...   David van der Spoel
  • [gmx-users] Stuck --> unstuck ...   Stéphane Téletchéa
    • [gmx-users] Stuck --> unstuck ...   David van der Spoel
• [gmx-users] genion   Elias santos
  • [gmx-users] genion   Dallas B. Warren
• [gmx-users] position by editconf   mahbubeh zarrabi
  • [gmx-users] position by editconf   David van der Spoel
• [gmx-users] generating a top file   Shahrokh Safarian
  • [gmx-users] generating a top file   Yang Ye
  • [gmx-users] generating a top file   Mark Abraham
• [gmx-users] Re: generating a top file   Yang Ye
  • [gmx-users] Re: generating a top file   Mark Abraham
• [gmx-users] tpbconv restart crashing on 3.3.1   Alan Dodd
• [gmx-users] Re:Regarding mdrun sigmentation fault in cluster   naga raju
• [gmx-users] g_mindist -pi option   andrea spitaleri
  • [gmx-users] g_mindist -pi option   andrea spitaleri
    • [gmx-users] g_mindist -pi option   Mark Abraham
    • [gmx-users] g_mindist -pi option   Miguel Machuqueiro
      • [gmx-users] g_mindist -pi option   Yang Ye
      • [gmx-users] g_mindist -pi option   andrea spitaleri
      • [gmx-users] g_mindist -pi option   Tsjerk Wassenaar
      • [gmx-users] g_mindist -pi option   andrea spitaleri
• [gmx-users] flexible molecular alignment   Siavoush Dastmalchi
• [gmx-users] genion   Elias santos
  • [gmx-users] genion   David van der Spoel
• [gmx-users] trjconv -drop drop.xvg ??   pascal.baillod at epfl.ch
• [gmx-users] genion - why shall we neutralize the charges?   Yang Ye
• [gmx-users] trjconv -drop drop.xvg ??   Yang Ye
• [gmx-users] dPCA "atoms"   Russell Green
• [gmx-users] dPCA "atoms"   Yang Ye
  • [gmx-users] dPCA "atoms"   David van der Spoel
  • [gmx-users] dPCA "atoms"   Russell Green
• [gmx-users] OT: script to mutate residues   chenmengen
• [gmx-users] flexible molecular alignment   chenmengen
• [gmx-users] sigmentation fault while creating index file   naga raju
  • [gmx-users] sigmentation fault while creating index file   David van der Spoel
• [gmx-users] Re(2): trjconv -drop drop.xvg ??   pascal.baillod at epfl.ch
  • [gmx-users] Re(2): trjconv -drop drop.xvg ??   David van der Spoel
    • [gmx-users] Re(2): trjconv -drop drop.xvg ??   Yang Ye
• [gmx-users] Re(2): trjconv -drop drop.xvg ??   Yang Ye
• [gmx-users] adding counter ions   OZGE ENGIN
  • [gmx-users] adding counter ions   Mark Abraham
• [gmx-users] Re: sigmentation fault while creating index file   naga raju
• [gmx-users] Born energies of ions   Georgios Patargias
• [gmx-users] Re(3): trjconv -drop drop.xvg THANKS!   pascal.baillod at epfl.ch
• [gmx-users] simulation popc   Jordi Camps
  • [gmx-users] simulation popc   Tsjerk Wassenaar
• [gmx-users] Gromacs tools mistakenly change the name of atoms in coordinate files   Robert Johnson
  • [gmx-users] Gromacs tools mistakenly change the name of atoms in coordinate files   David van der Spoel
  • [gmx-users] Gromacs tools mistakenly change the name of atoms in coordinate files   TJ Piggot
• [gmx-users] Gromacs tools mistakenly change the name of atoms incoordinate files   chenmengen
• [gmx-users] Continuing runs that stopped   michelle yap
  • [gmx-users] Continuing runs that stopped   Dallas B. Warren
  • [gmx-users] Continuing runs that stopped   Arun kumar
• [gmx-users] multi problem   Andrei Neamtu
  • [gmx-users] multi problem   Mark Abraham
• [gmx-users] question about PBC and link cell based cutoff method   linfu
  • [gmx-users] question about PBC and link cell based cutoff method   Mark Abraham
• [gmx-users] make-hole   mahbubeh zarrabi
• [gmx-users] re:multi problem again   Andrei Neamtu
  • [gmx-users] re:multi problem again   David van der Spoel
  • [gmx-users] re:multi problem again   Yang Ye
  • [gmx-users] re:multi problem again   Mark Abraham
• [gmx-users] re:multi problem   Andrei Neamtu
• [gmx-users] Re: gmx-users Digest, Vol 38, Issue 29   linfu
• [gmx-users] Gromacs tools mistakenly change the name of atoms in coordinate files   Robert Johnson
  • [gmx-users] Gromacs tools mistakenly change the name of atoms in coordinate files   David van der Spoel
  • [gmx-users] Gromacs tools mistakenly change the name of atoms in coordinate files   Erik Lindahl
    • [gmx-users] Gromacs tools mistakenly change the name of atoms in coordinate files   Yang Ye
    • [gmx-users] Gromacs tools mistakenly change the name of atoms in coordinate files   Robert Johnson
• [gmx-users] make-hole   Chris Neale
• [gmx-users] a question about output virial   Lu Lanyuan
• [gmx-users] HB lifetime in g_hbond   Patricia Soto Becerra
  • [gmx-users] HB lifetime in g_hbond   David van der Spoel
• [gmx-users] problem with the max number of atom in charge group   Nicolas Sapay
  • [gmx-users] problem with the max number of atom in charge group   Mark Abraham
  • [gmx-users] problem with the max number of atom in charge group   David van der Spoel
• [gmx-users] Warning when using both LJ and Buckingham non-bonded interaction   WU Yanbin
  • [gmx-users] Warning when using both LJ and Buckingham non-bonded interaction   Mark Abraham
• [gmx-users] Re: Warning when using both LJ and Buckingham non-bonded interaction   WU Yanbin
  • [gmx-users] Re: Warning when using both LJ and Buckingham non-bonded interaction   David van der Spoel
• [gmx-users] Regarding scalling factor of cluster and installation in cluster   naga raju
  • [gmx-users] Regarding scalling factor of cluster and installation in cluster   Mark Abraham
• [gmx-users] gromacs on IBM Power 5 Linux Machine: Preprocessor problem   Monika Sharma
  • [gmx-users] gromacs on IBM Power 5 Linux Machine: Preprocessor problem   Mark Abraham
    • [gmx-users] gromacs on IBM Power 5 Linux Machine: Preprocessor problem   Monika Sharma
      • [gmx-users] gromacs on IBM Power 5 Linux Machine: Preprocessor problem   David van der Spoel
      • [gmx-users] gromacs on IBM Power 5 Linux Machine: Preprocessor problem   Mark Abraham
• [gmx-users] RNA ffgmx.hdb problems   dwunnick at uni-osnabrueck.de
  • [gmx-users] RNA ffgmx.hdb problems   Florian Haberl
  • [gmx-users] RNA ffgmx.hdb problems   Stéphane Téletchéa
• [gmx-users] Energy difference - Gromacs, Autodock   Александр Журавлев
  • [gmx-users] Energy difference - Gromacs, Autodock   David van der Spoel
    • =?koi8-r?Q?Re=3A_Re=3A_[gmx-users]_Energy_difference_-_Gromacs, _Autodock?=   Александр Журавлев
      • [gmx-users]_Energy_difference_-_Gromacs, _Autodock?=   Mark Abraham
      • [gmx-users]_Energy_difference_-_Gromacs, _Autodock?=   David van der Spoel
• [gmx-users] mdrun -glas   Michal Kolinski
  • [gmx-users] mdrun -glas   David van der Spoel
• [gmx-users] g_dipoles output   Martin Höfling
  • [gmx-users] g_dipoles output   David van der Spoel
• [gmx-users] Re: OPLSaa+Lipid.itp question   Chris Neale
• [gmx-users] Re: HB lifetime in g_hbond   Patricia Soto Becerra
• [gmx-users] Re: Warning when using both LJ and Buckingham non-bonded interaction   WU Yanbin
  • [gmx-users] Re: Warning when using both LJ and Buckingham non-bonded interaction   WU Yanbin
    • [gmx-users] Re: Warning when using both LJ and Buckingham non-bonded interaction   David van der Spoel
• [gmx-users] Urea molecule deformed in urea-water simulations using ffamber99   George Abadir
  • [gmx-users] Urea molecule deformed in urea-water simulations using ffamber99   David van der Spoel
  • [gmx-users] Urea molecule deformed in urea-water simulations using ffamber99   Mark Abraham
• [gmx-users] Anisotropic Pressure   Matteo Guglielmi
  • [gmx-users] Anisotropic Pressure   David van der Spoel
  • [gmx-users] Anisotropic Pressure   Berk Hess
    • [gmx-users] Anisotropic Pressure   Matteo Guglielmi
      • [gmx-users] Anisotropic Pressure   Pedro Alexandre de Araújo Gomes Lapido Loureiro
      • [gmx-users] Anisotropic Pressure   Matteo Guglielmi
      • [gmx-users] Anisotropic Pressure   Pedro Alexandre de Araújo Gomes Lapido Loureiro
• [gmx-users] Angle parameters in Amber port and in Gromacs   George Abadir
  • [gmx-users] Angle parameters in Amber port and in Gromacs   Mark Abraham
    • [gmx-users] Angle parameters in Amber port and in Gromacs   Erik Lindahl
• [gmx-users] query regarding self-assembly process   jagannath mondal
  • [gmx-users] query regarding self-assembly process   Mark Abraham
• [gmx-users] volume calculation   abhishek sharma
  • [gmx-users] volume calculation   Mark Abraham
• [gmx-users] non-intergral charge for L-alanine molecules?   Hu Zhongqiao
  • [gmx-users] non-intergral charge for L-alanine molecules?   Mark Abraham
    • [gmx-users] non-intergral charge for L-alanine molecules?   David van der Spoel
• [gmx-users] Question about DNA simulation   Maik Goette
  • [gmx-users] Question about DNA simulation   David van der Spoel
    • [gmx-users] Question about DNA simulation   George Abadir
      • [gmx-users] Question about DNA simulation   Maik Goette
      • [gmx-users] Question about DNA simulation   George Abadir
• [gmx-users] RE: non-intergral charge for L-alanine molecules?   Hu Zhongqiao
  • [gmx-users] RE: non-intergral charge for L-alanine molecules?   David van der Spoel
• [gmx-users] FW: non-intergral charge for L-alanine molecules?   Hu Zhongqiao
• [gmx-users] Why are there five Urey-Bradley parameters   Lee-Ping
• [gmx-users] Disregard my question about Urey-Bradley   Lee-Ping
• [gmx-users] protein in hole   mahbubeh zarrabi
  • [gmx-users] protein in hole   gportel at gwdg.de
  • [gmx-users] protein in hole   Mark Abraham
• [gmx-users] Format of a Topology File When Using Amber FF in Gromacs   한상화
  • [gmx-users] Format of a Topology File When Using Amber FF in Gromacs   David van der Spoel
    • [gmx-users] Format of a Topology File When Using Amber FF inGromacs   한상화
      • [gmx-users] Format of a Topology File When Using Amber FF inGromacs   David van der Spoel
  • [gmx-users] Format of a Topology File When Using Amber FF in Gromacs   Mark Abraham
• [gmx-users] DNA simulations with GROMACS???   Anna Reymer
  • [gmx-users] DNA simulations with GROMACS???   Mark Abraham
  • [gmx-users] DNA simulations with GROMACS???   Erik Marklund
    • [gmx-users] DNA simulations with GROMACS???   Anna Reymer
      • [gmx-users] DNA simulations with GROMACS???   Anna Reymer
• [gmx-users] pdb2gmx and arginine   Roberto Marchese
  • [gmx-users] pdb2gmx and arginine   Yang Ye
    • [gmx-users] pdb2gmx and arginine   David van der Spoel
• [gmx-users] NMA for a group   Christian Seifert
  • [gmx-users] NMA for a group   Christian Seifert
    • [gmx-users] NMA for a group   David van der Spoel
      • [gmx-users] NMA for a group   Bert de Groot
      • [gmx-users] NMA for a group   Christian Seifert
      • [gmx-users] NMA for a group   David van der Spoel
      • [gmx-users] NMA for a group   Mark Abraham
      • [gmx-users] NMA for a group   Bert de Groot
      • [gmx-users] NMA for a group   Mark Abraham
      • [gmx-users] NMA for a group   Christian Seifert
    • [gmx-users] NMA for a group   Lars Schaefer
      • [gmx-users] NMA for a group   Christian Seifert
      • [gmx-users] NMA for a group   David van der Spoel
      • [gmx-users] NMA for a group   Lars Schaefer
    • [gmx-users] NMA for a group   Nguyen Hoang Phuong
• [gmx-users] make-hole   mahbubeh zarrabi
• [gmx-users] Umbrella sampling of a ligand inside a pore   Hadas Leonov
• [gmx-users] Problem with g_rdf /option com   OZGE ENGIN
• [gmx-users] normal mode analysis (size issue)   Liwei Li
  • [gmx-users] normal mode analysis (size issue)   Erik Lindahl
• [gmx-users] rtp entry   ASHWINI JAYAPRAKASH
  • [gmx-users] rtp entry   Mark Abraham
• [gmx-users] Umbrella sampling of a ligand inside a pore   chris.neale at utoronto.ca
  • [gmx-users] Umbrella sampling of a ligand inside a pore   Hadas Leonov
• [gmx-users] conformational distance D4   ravishk kumar
  • [gmx-users] conformational distance D4   David van der Spoel
• [gmx-users] 2nd Virial coefficient and Hydrophobic moment Calculation   Naser, Md Abu
  • [gmx-users] 2nd Virial coefficient and Hydrophobic moment Calculation   David van der Spoel
    • [gmx-users] 2nd Virial coefficient and Hydrophobicmoment Calculation   Naser, Md Abu
• [gmx-users] Basic Query   priyanka srivastava
  • [gmx-users] Basic Query   Martin Höfling
    • [gmx-users] Basic Query   priyanka srivastava
      • [gmx-users] Basic Query   Mark Abraham
      • [gmx-users] Basic Query   Martin Höfling
      • [gmx-users] Basic Query   David van der Spoel
      • [gmx-users] Basic Query   priyanka srivastava
      • [gmx-users] Basic Query   David van der Spoel
• [gmx-users] Inclusion of an angle-angle cross term?   Lee-Ping
  • [gmx-users] Inclusion of an angle-angle cross term?   Mark Abraham
  • [gmx-users] Inclusion of an angle-angle cross term?   David van der Spoel
  • [gmx-users] Inclusion of an angle-angle cross term?   David van der Spoel
• [gmx-users] website problems   Jeroen van Bemmelen
  • [gmx-users] website problems   David van der Spoel
  • [gmx-users] website problems   David van der Spoel
• [gmx-users] potential energy =nan   Sheyore Omovie
  • [gmx-users] potential energy =nan   Martin Höfling
  • [gmx-users] potential energy =nan   David van der Spoel
  • [gmx-users] potential energy =nan   Mark Abraham
    • [gmx-users] potential energy =nan   Sheyore Omovie
      • [gmx-users] potential energy =nan   Sheyore Omovie
      • [gmx-users] potential energy =nan   David van der Spoel
• [gmx-users] temperature..   abhishek sharma
  • [gmx-users] temperature..   David van der Spoel
  • [gmx-users] temperature..   Mark Abraham
• [gmx-users] g_bundle!   priyanka srivastava
  • [gmx-users] g_bundle!   Patrick Fuchs
  • [gmx-users] g_bundle!   Marc F. Lensink
• [gmx-users] grompp or parameter file problem?   Anna Reymer
  • [gmx-users] grompp or parameter file problem?   Mark Abraham
    • [gmx-users] grompp or parameter file problem?   Anna Reymer
      • [gmx-users] grompp or parameter file problem?   Yang Ye
      • [gmx-users] grompp or parameter file problem?   Monika Sharma
      • [gmx-users] grompp or parameter file problem?   Monika Sharma
• [gmx-users] grompp or parameter file problem?   Yang Ye
  • [gmx-users] grompp or parameter file problem?   Anna Reymer
    • [gmx-users] grompp or parameter file problem?   Yang Ye
• [gmx-users] Umbrella sampling of a ligand inside a pore   Chris Neale
• [gmx-users] new to gromacs   vijay kumar
  • [gmx-users] new to gromacs   David van der Spoel
  • [gmx-users] new to gromacs   Mark Abraham
• [gmx-users] rtp entry   ASHWINI JAYAPRAKASH
  • [gmx-users] rtp entry   Mark Abraham
    • [gmx-users] rtp entry   ASHWINI JAYAPRAKASH
      • [gmx-users] rtp entry   Mark Abraham
      • [gmx-users] rtp entry   ASHWINI JAYAPRAKASH
      • [gmx-users] rtp entry   David van der Spoel
      • [gmx-users] rtp entry   Mark Abraham
• [gmx-users] RE:Shear viscosity/bulk viscosity   Junfang.Zhang at csiro.au
  • [gmx-users] RE:Shear viscosity/bulk viscosity   Mark Abraham
• [gmx-users] RE:Shear viscosity/bulk viscosity   Junfang.Zhang at csiro.au
• [gmx-users] gromos43A1 force constants   herbst at fhi-berlin.mpg.de
  • [gmx-users] gromos43A1 force constants   Mark Abraham
  • [gmx-users] gromos43A1 force constants   David van der Spoel
• [gmx-users] g_bundle!   Alan Dodd
  • [gmx-users] g_bundle!   priyanka srivastava
    • [gmx-users] g_bundle!   TJ Piggot
      • [gmx-users] g_bundle!   priyanka srivastava
• [gmx-users] obtaining information from trj file   Dave Segala
  • [gmx-users] obtaining information from trj file   Mark Abraham
    • [gmx-users] obtaining information from trj file   Erik Lindahl
• [gmx-users] obtaining information from trj file   Alan Dodd
• [gmx-users] continuation problem   Anthony Cruz Balberdi
• [gmx-users] trjconv -pbc?   bmmothan at ucalgary.ca
  • [gmx-users] trjconv -pbc?   Tsjerk Wassenaar
    • [gmx-users] trjconv -pbc?   bmmothan at ucalgary.ca
      • [gmx-users] trjconv -pbc?   Tsjerk Wassenaar
      • [gmx-users] trjconv -pbc?   bmmothan at ucalgary.ca
• [gmx-users] trjconv -pbc   Mauricio Pablo Sica
  • [gmx-users] trjconv -pbc   Tsjerk Wassenaar
• [gmx-users] Force Calculation - SBLOCKS   Justin M. Shorb
  • [gmx-users] Force Calculation - SBLOCKS   Mark Abraham
    • [gmx-users] Force Calculation - SBLOCKS   David van der Spoel
• [gmx-users] RE:Correction to reference   Junfang.Zhang at csiro.au
  • [gmx-users] RE:Correction to reference   David van der Spoel
• [gmx-users] radius of gyration taking bound water into account   Fabrizio Mancinelli
  • [gmx-users] radius of gyration taking bound water into account   David van der Spoel
• [gmx-users] Reg. minimization   C.RAMYA
  • [gmx-users] Reg. minimization   David van der Spoel
• [gmx-users] Regarding POPE lipid parameters   naga raju
  • [gmx-users] Regarding POPE lipid parameters   Oliver Mirus
• [gmx-users] Regarding POPE lipid parameters   Chris Neale
• [gmx-users] Installation/compilation problem ---v3.3.1   philippe ayala
  • [gmx-users] Installation/compilation problem ---v3.3.1   Mark Abraham
    • [gmx-users] Installation/compilation problem ---v3.3.1   Patrick Fuchs
    • [gmx-users] Installation/compilation problem ---v3.3.1   philippe ayala
      • [gmx-users] Installation/compilation problem ---v3.3.1   David van der Spoel
• [gmx-users] intermolecular energy   Jones de Andrade
  • [gmx-users] intermolecular energy   Mark Abraham
    • [gmx-users] intermolecular energy   Jones de Andrade
      • [gmx-users] intermolecular energy   David van der Spoel
      • [gmx-users] intermolecular energy   Jones de Andrade
      • [gmx-users] intermolecular energy   David van der Spoel
      • [gmx-users] intermolecular energy   Jones de Andrade
      • [gmx-users] intermolecular energy   Jones de Andrade
      • [gmx-users] intermolecular energy   David van der Spoel
      • [gmx-users] intermolecular energy   David van der Spoel
      • [gmx-users] intermolecular energy   Jones de Andrade
      • [gmx-users] intermolecular energy   David van der Spoel
      • [gmx-users] intermolecular energy   Jones de Andrade
      • [gmx-users] intermolecular energy   Jones de Andrade
• [gmx-users] Re: Regarding POPE lipid parameters   naga raju
• [gmx-users] Regarding minimization of POPE:POPG lipid bilayer   naga raju
• [gmx-users] linux   mahbubeh zarrabi
  • [gmx-users] linux   Martin Höfling
• [gmx-users] Energy minimization problem with Double precision and mpi   Josiah Zayner
  • [gmx-users] Energy minimization problem with Double precision and mpi   Josiah Zayner
    • [gmx-users] Energy minimization problem with Double precision and mpi   David van der Spoel
      • [gmx-users] Energy minimization problem with Double precision and mpi   Josiah Zayner
      • [gmx-users] Energy minimization problem with Double precision and mpi   David van der Spoel
      • [gmx-users] Energy minimization problem with Double precision and mpi   Josiah Zayner
      • [gmx-users] Energy minimization problem with Double precision and mpi   David van der Spoel
• [gmx-users] editconf -translate help   Shayla Fitzsimmons
  • [gmx-users] editconf -translate help   David van der Spoel
• [gmx-users] superimpose pdbs   Alan
  • [gmx-users] superimpose pdbs   David van der Spoel
  • RES: [gmx-users] superimpose pdbs   Caio Julio Martins Veloso
  • [gmx-users] superimpose pdbs   Yang Ye
• [gmx-users] Regarding minimization of POPE:POPG lipid bilayer   chris.neale at utoronto.ca
• [gmx-users] Re: WCA and free energy calculations   David Mobley
  • [gmx-users] Re: WCA and free energy calculations   Berk Hess
    • [gmx-users] Re: WCA and free energy calculations   David Mobley
      • [gmx-users] Re: WCA and free energy calculations   Berk Hess
      • [gmx-users] Re: WCA and free energy calculations   Mark Abraham
      • [gmx-users] Re: WCA and free energy calculations   Berk Hess
      • [gmx-users] Re: WCA and free energy calculations   David Mobley
      • [gmx-users] Re: WCA and free energy calculations   Berk Hess
• [gmx-users] make-hole,grasp   mahbubeh zarrabi
• [gmx-users] make-hole,grasp   Chris Neale
• [gmx-users] Re: WCA and free energy calculations   jtomlins at purdue.edu
• [gmx-users] A few general questions on Gromacs   Corina Stratan
  • [gmx-users] A few general questions on Gromacs   David van der Spoel
  • [gmx-users] A few general questions on Gromacs   Martin Höfling
    • [gmx-users] A few general questions on Gromacs   Corina Stratan
      • [gmx-users] A few general questions on Gromacs   Stéphane Téletchéa
      • [gmx-users] A few general questions on Gromacs   Mark Abraham
      • [gmx-users] A few general questions on Gromacs   Martin Höfling
      • [gmx-users] A few general questions on Gromacs   David van der Spoel
      • [gmx-users] A few general questions on Gromacs   Martin Höfling
      • [gmx-users] Non bonded parameters for Xe Xe Interactions   Arneh Babakhani
      • [gmx-users] Non bonded parameters for Xe Xe Interactions   David van der Spoel
      • [gmx-users] Non bonded parameters for Xe Xe Interactions   Arneh Babakhani
      • [gmx-users] Non bonded parameters for Xe Xe Interactions   David van der Spoel
      • [gmx-users] A few general questions on Gromacs   Stéphane Téletchéa
• [gmx-users] monitoring the dynamics of proline   jayant_jacques
  • [gmx-users] monitoring the dynamics of proline   Dallas B. Warren
  • [gmx-users] monitoring the dynamics of proline   Mark Abraham
• [gmx-users] mk_angndx   Fabio Affinito
  • [gmx-users] mk_angndx   David van der Spoel
• [gmx-users] Gromacs website broken   pim schravendijk
  • [gmx-users] Gromacs website broken   Carsten Kutzner
  • [gmx-users] Gromacs website broken   David van der Spoel
• [gmx-users] Re: mk_angndx   Fabio Affinito
  • [gmx-users] Re: mk_angndx   David van der Spoel
• [gmx-users] producing top and gro files for the molecule with metal ions.   Anna Reymer
  • [gmx-users] producing top and gro files for the molecule with metal ions.   Mark Abraham
    • [gmx-users] producing top and gro files for the molecule with metal ions.   Tsjerk Wassenaar
  • [gmx-users] producing top and gro files for the molecule with metal ions.   David van der Spoel
• [gmx-users] rotational fit in XY plane only   Naser, Md Abu
  • [gmx-users] rotational fit in XY plane only   David van der Spoel
  • [gmx-users] rotational fit in XY plane only   Carsten Kutzner
• [gmx-users] pdb2gmx   serdar durdagi
  • [gmx-users] pdb2gmx   Tsjerk Wassenaar
    • [gmx-users] pdb2gmx   Mark Abraham
• [gmx-users] x2top stalls when generating topology file   Robert Johnson
  • [gmx-users] x2top stalls when generating topology file   David van der Spoel
• [gmx-users] MONITORING SALT BRIDGES   jayant_jacques
  • [gmx-users] MONITORING SALT BRIDGES   David van der Spoel
• [gmx-users] pdb2gmx problem: one solution   serdar durdagi
  • [gmx-users] pdb2gmx problem: one solution   Mark Abraham
• [gmx-users] PROBLEM REGARDING pdb2gmx & restraints   gurpreet singh
  • [gmx-users] PROBLEM REGARDING pdb2gmx & restraints   Tsjerk Wassenaar
    • [gmx-users] PROBLEM REGARDING pdb2gmx & restraints   Mark Abraham
• [gmx-users] BUG!!!!: FENE bond stretching potential   Jiang ran
  • [gmx-users] BUG!!!!: FENE bond stretching potential   Berk Hess
• [gmx-users] v3.2.1 to v3.3 problems   Dave Segala
  • [gmx-users] v3.2.1 to v3.3 problems   David van der Spoel
• [gmx-users] representative structure using g-cluster   bmmothan at ucalgary.ca
  • [gmx-users] representative structure using g-cluster   David van der Spoel
  • [gmx-users] g_saltbr -h: "difference" should read "distance"?   Ryszard Czerminski
    • [gmx-users] g_saltbr -h: "difference" should read "distance"?   David van der Spoel
• [gmx-users] Energy Minimization Protocol for running Normal Mode Analysis   Anirban Ghosh
  • [gmx-users] Energy Minimization Protocol for running Normal Mode Analysis   Mark Abraham
  • [gmx-users] Energy Minimization Protocol for running Normal ModeAnalysis   Josiah Zayner
• [gmx-users] error during the minimization   gurpreet singh
  • [gmx-users] error during the minimization   Mark Abraham
    • [gmx-users] error during the minimization   gurpreet singh
• [gmx-users] Re: error during the minimization   M.N. Manoj
  • [gmx-users] Re: error during the minimization   gurpreet singh
• [gmx-users] Re: OPLSaa+Lipid.itp question   Oliver Mirus
• [gmx-users] OPLSaa+Lipid.itp question   chris.neale at utoronto.ca
• [gmx-users] OpenMosix and Gromacs   Nicolas Sapay
  • [gmx-users] OpenMosix and Gromacs   Sabuj Pattanayek
    • [gmx-users] OpenMosix and Gromacs   Nicolas Sapay
      • [gmx-users] OpenMosix and Gromacs   David van der Spoel
      • [gmx-users] OpenMosix and Gromacs   Yang Ye
• [gmx-users] Re: error during the minimization   M.N. Manoj
• [gmx-users] center of mass   mahbubeh zarrabi
  • [gmx-users] center of mass   David van der Spoel
• [gmx-users] How to proceed with energy minimization for Normal Mode Analysis   Anirban Ghosh
  • [gmx-users] How to proceed with energy minimization for Normal Mode Analysis   David van der Spoel
• [gmx-users] pb with temperature in brownian dynamics   BON Michael

Last message date: Sat Jun 30 20:55:03 CEST 2007
Archived on: Thu Nov 14 12:03:43 CET 2013

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