May 2006 Archives by thread

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Starting: Mon May 1 14:08:41 CEST 2006
Ending: Wed May 31 22:51:22 CEST 2006
Messages: 647

• [gmx-users] protein insertion   mahbubeh zarrabi
• [gmx-users] freeze water   Anthony Cruz
  • [gmx-users] freeze water   Anthony Cruz
• [gmx-users] GROMACS 3.3 for Windows   jahanshah ashkani
  • [gmx-users] GROMACS 3.3 for Windows   Nicolas Michel
• [gmx-users] top file popc   mahbubeh zarrabi
• [gmx-users] segmentation fault in mdrun when using PME   Diane Fournier
  • [gmx-users] segmentation fault in mdrun when using PME   David van der Spoel
    • RE : [gmx-users] segmentation fault in mdrun when using PME   Diane Fournier
      • [gmx-users] segmentation fault in mdrun when using PME   Arneh Babakhani
      • RE : RE : [gmx-users] segmentation fault in mdrun when using PME   Diane Fournier
      • Re: RE : RE : [gmx-users] segmentation fault in mdrun when using PME   Erik Lindahl
• [gmx-users] fudgeLJ / fudgeQQ are multiplicative factors   chris.neale at utoronto.ca
  • [gmx-users] fudgeLJ / fudgeQQ are multiplicative factors   David van der Spoel
• [gmx-users] top file popc   chris.neale at utoronto.ca
• [gmx-users] GMX on 2xopteron Dual core   Jayant James Jayasundar
  • [gmx-users] GMX on 2xopteron Dual core   David van der Spoel
• [gmx-users] freeze water   chris.neale at utoronto.ca
• [gmx-users] Hydrogen bonds with version 3.3.1   Gianluca Interlandi
  • [gmx-users] Hydrogen bonds with version 3.3.1   David van der Spoel
    • [gmx-users] Hydrogen bonds with version 3.3.1   Gianluca Interlandi
      • [gmx-users] Hydrogen bonds with version 3.3.1   David van der Spoel
      • [gmx-users] Hydrogen bonds with version 3.3.1   Gianluca Interlandi
      • [gmx-users] Hydrogen bonds with version 3.3.1   David van der Spoel
      • [gmx-users] Hydrogen bonds with version 3.3.1   Gianluca Interlandi
      • [gmx-users] Hydrogen bonds with version 3.3.1   mcdonna
• [gmx-users] cis-trans isomerization in Ryckaert Bellemans dihedrals   MURAT CETINKAYA
• [gmx-users] correction in oplsaa to rb conversion?   gil claudio
  • [gmx-users] correction in oplsaa to rb conversion?   David van der Spoel
    • [gmx-users] correction in oplsaa to rb conversion?   Erik Lindahl
• [gmx-users] afm pulling   Maik Goette
  • [gmx-users] afm pulling   Marta Murcia
    • [gmx-users] afm pulling and comm_mode   Marta Murcia
      • [gmx-users] Pressure Coupling for Lipid Bilayers   Arneh Babakhani
      • [gmx-users] Pressure Coupling for Lipid Bilayers   Erik Lindahl
• [gmx-users] problem with ffamber94bon.itp   Maik Goette
• [gmx-users] 256 DPPC bilayer   MGiò
  • [gmx-users] 256 DPPC bilayer   Erik Lindahl
• [gmx-users] popc   mahbubeh zarrabi
  • [gmx-users] popc   MGiò
    • [gmx-users] popc   MGiò
      • [gmx-users] popc   Itamar Kass
• [gmx-users] Highest possible temperature in NPT?   pascal.baillod at epfl.ch
  • [gmx-users] Highest possible temperature in NPT?   Berk Hess
• [gmx-users] Nose-Hoover and REMD restarts?   pascal.baillod at epfl.ch
• [gmx-users] Reaction field: Berendsen or Nose-Hoover thermostat?   pascal.baillod at epfl.ch
• [gmx-users] Highest possible temperature in NPT?   chris.neale at utoronto.ca
  • [gmx-users] Highest possible temperature in NPT?   David van der Spoel
    • [gmx-users] Error in Conjugate Gradient Minimization   Arneh Babakhani
      • [gmx-users] Error in Conjugate Gradient Minimization   Mark Abraham
      • [gmx-users] Error in Conjugate Gradient Minimization   Arneh Babakhani
• [gmx-users] Error installing gromacs on solaris system   Mohan Boggara
• [gmx-users] grompp: Atoms in the .top are not numbered consecutively from 1   D. Ensign
  • [gmx-users] grompp: Atoms in the .top are not numbered consecutively from 1   Yang Ye
• [gmx-users] Hydrogen bonds with version 3.3.1 (fwd)   Gianluca Interlandi
• [gmx-users] segmentation fault at middle of MD run   raja
• [gmx-users] A question about general MD procedure   jackyxh at 163.com
• [gmx-users] cross compiling gromacs   ganapathy senthilkumar
  • [gmx-users] cross compiling gromacs   David van der Spoel
    • [gmx-users] cross compiling gromacs   ganapathy senthilkumar
• [gmx-users] Info on the "Ellipticity at 222 nm" provided by g_helix   Afonso Duarte
  • [gmx-users] Info on the "Ellipticity at 222 nm" provided by g_helix   David van der Spoel
• [gmx-users] atomtype   mahbubeh zarrabi
  • [gmx-users] atomtype   MGiò
• [gmx-users] Re: Benching against different compilers - Help needed   Jones de Andrade
  • [gmx-users] Re: Benching against different compilers - Help needed   David van der Spoel
    • [gmx-users] Re: Benching against different compilers - Help needed   Jones de Andrade
• [gmx-users] lipid.itp LJ-1,4 values involving water   chris.neale at utoronto.ca
  • [gmx-users] lipid.itp LJ-1,4 values involving water   Erik Lindahl
• [gmx-users] Compressibility in NpT: What value to input?   Jones de Andrade
  • [gmx-users] Compressibility in NpT: What value to input?   Erik Lindahl
    • [gmx-users] Compressibility in NpT: What value to input?   Jones de Andrade
• [gmx-users] Re: grompp: Atoms in the .top are not numbered consecutively   D. Ensign
  • [gmx-users] Re: grompp: Atoms in the .top are not numbered consecutively   Yang Ye
• [gmx-users] graph edges bug?   James Rustad
  • [gmx-users] graph edges bug?   David van der Spoel
  • [gmx-users] graph edges bug?   Berk Hess
• [gmx-users] energy minimization in vacuum   Lei Zhou
• [gmx-users] Re: grompp: Atoms in the .top are not numbered consecutively   D. Ensign
  • [gmx-users] Re: grompp: Atoms in the .top are not numbered consecutively   Yang Ye
• [gmx-users] A question about general MD procedure   Dallas B. Warren
• [gmx-users] Re: grompp: Atoms in the .top are not   D. Ensign
  • [gmx-users] Re: grompp: Atoms in the .top are not   Yang Ye
• [gmx-users] Re: gmx-users Digest, Vol 25, Issue 5   gil claudio
  • [gmx-users] Re: gmx-users Digest, Vol 25, Issue 5   Erik Lindahl
• [gmx-users] how do bonded interactions change with temperature ?   Grazia Daminelli
  • [gmx-users] how do bonded interactions change with temperature ?   David van der Spoel
  • [gmx-users] how do bonded interactions change with temperature ?   Lars Schaefer
• [gmx-users] REMD in one nodes with two processors   Dongsheng Zhang
  • [gmx-users] REMD in one nodes with two processors   David van der Spoel
    • [gmx-users] REMD in one nodes with two processors   Dongsheng Zhang
      • [gmx-users] REMD in one nodes with two processors   Marcus Kubitzki
      • [gmx-users] REMD in one nodes with two processors   Dongsheng Zhang
      • [gmx-users] REMD in one nodes with two processors   David van der Spoel
      • [gmx-users] REMD in one nodes with two processors   Dongsheng Zhang
      • [gmx-users] REMD in one nodes with two processors   David van der Spoel
      • [gmx-users] REMD in one nodes with two processors   Dongsheng Zhang
      • [gmx-users] REMD in one nodes with two processors   David van der Spoel
      • [gmx-users] REMD in one nodes with two processors   Dongsheng Zhang
• [gmx-users] cgnr   Marcelo A. Carignano
  • [gmx-users] cgnr   David van der Spoel
    • [gmx-users] cgnr   Marcelo A. Carignano
      • [gmx-users] cgnr   David van der Spoel
      • [gmx-users] cgnr   Marcelo A. Carignano
      • [gmx-users] cgnr   David van der Spoel
      • [gmx-users] cgnr   Marcelo A. Carignano
      • [gmx-users] cgnr   Berk Hess
      • [gmx-users] cgnr   Berk Hess
      • [gmx-users] cgnr   Marcelo A. Carignano
• [gmx-users] interactions between water molecules   Maria Sabaye Moghaddam
• [gmx-users] g_rdf on Mac OS X 10.3, 10.4   Jennifer Rendell
  • [gmx-users] g_rdf on Mac OS X 10.3, 10.4   David van der Spoel
    • [gmx-users] g_rdf on Mac OS X 10.3, 10.4   Kay Gottschalk
      • [gmx-users] g_rdf on Mac OS X 10.3, 10.4   Sukit Leekumjorn
      • [gmx-users] g_rdf on Mac OS X 10.3, 10.4   David van der Spoel
• [gmx-users] Intra x inter coulombic and van-der-waals terms   Jones de Andrade
  • [gmx-users] Intra x inter coulombic and van-der-waals terms   Jones de Andrade
  • [gmx-users] Intra x inter coulombic and van-der-waals terms   Mark Abraham
• [gmx-users] Problems with pdb2gmx and grompp   Eduardo Martins Lopes
  • [gmx-users] Problems with pdb2gmx and grompp   Kushal Seth
  • [gmx-users] Problems with pdb2gmx and grompp   Yang Ye
• [gmx-users] Problems with pdb2gmx and grompp   Dallas B. Warren
• [gmx-users] install problem   James Rustad
• [gmx-users] g_hbond range checking error   Dallas B. Warren
  • [gmx-users] g_hbond range checking error   David van der Spoel
• [gmx-users] Center of mass distance   YOLANDA SMALL
  • [gmx-users] Center of mass distance   Mark Abraham
  • [gmx-users] Center of mass distance   X.Periole
• [gmx-users] water tutorial   Егоров Д.А.
  • [gmx-users] water tutorial   Yang Ye
    • [gmx-users] water tutorial   David van der Spoel
• [gmx-users] Settle and Virial   Rahul Godawat
• [gmx-users] PCA, equilibrium, free energies   Y. U. Sasidhar
• [gmx-users] energy minimization in vacuum   Lei Zhou
  • [gmx-users] energy minimization in vacuum   David Mobley
    • [gmx-users] energy minimization in vacuum   Tsjerk Wassenaar
    • [gmx-users] energy minimization in vacuum   Lei Zhou
      • [gmx-users] Including and itp file, for a residue   Arneh Babakhani
• [gmx-users] Center of mass distance   YOLANDA SMALL
• [gmx-users] water tutorial   chris.neale at utoronto.ca
• [gmx-users] ligand falling out of active site during EM   Diane Fournier
  • [gmx-users] ligand falling out of active site during EM   David Mobley
  • [gmx-users] ligand falling out of active site during EM   Diane Fournier
    • [gmx-users] ligand falling out of active site during EM   David Mobley
      • [gmx-users] Genbox - Removal of Unwanted Waters   Arneh Babakhani
      • [gmx-users] Genbox - Removal of Unwanted Waters   David van der Spoel
      • [gmx-users] Genbox - Removal of Unwanted Waters   Arneh Babakhani
      • [gmx-users] Genbox - Removal of Unwanted Waters   David van der Spoel
      • [gmx-users] ligand falling out of active site during EM   Diane Fournier
      • [gmx-users] ligand falling out of active site during EM   Anton Feenstra
      • [gmx-users] ligand falling out of active site during EM   Tsjerk Wassenaar
• [gmx-users] Including and itp file, for a residue   chris.neale at utoronto.ca
  • [gmx-users] Including and itp file, for a residue   Arneh Babakhani
• [gmx-users] Including and itp file, for a residue   chris.neale at utoronto.ca
• [gmx-users] Including and itp file, for a residue   chris.neale at utoronto.ca
  • [gmx-users] Including and itp file, for a residue   Arneh Babakhani
• [gmx-users] Including and itp file, for a residue   chris.neale at utoronto.ca
• [gmx-users] protein insertion   mahbubeh zarrabi
  • [gmx-users] protein insertion   Weidong Xin
• [gmx-users] MD simulations of dipeptide in crystal lattice   List User
  • [gmx-users] MD simulations of dipeptide in crystal lattice   David van der Spoel
• [gmx-users] self made topology and fmax   Joanne Hanna
  • [gmx-users] self made topology and fmax   Mark Abraham
• [gmx-users] parameters for s-AAPF-pNA   Yujie Wu
• [gmx-users] configure checking for include directories   Mark Abraham
  • [gmx-users] configure checking for include directories   David van der Spoel
• [gmx-users] Water tutorial: thanks for help   Егоров Д.А.
• [gmx-users] g_order in Gromacs 3.3.1   Sukit Leekumjorn
  • [gmx-users] g_order in Gromacs 3.3.1   David van der Spoel
    • [gmx-users] g_order in Gromacs 3.3.1   Arneh Babakhani
      • [gmx-users] g_order in Gromacs 3.3.1   Mark Abraham
      • [gmx-users] g_order in Gromacs 3.3.1   Sukit Leekumjorn
      • [gmx-users] g_order in Gromacs 3.3.1   Arneh Babakhani
• [gmx-users] topology transformation   Anthony Cruz
  • [gmx-users] topology transformation   Anton Feenstra
  • [gmx-users] topology transformation   Christian Burisch
• [gmx-users] Re: Your Question about unwanted waters   David Mobley
  • [gmx-users] Re: Your Question about unwanted waters   Anton Feenstra
• [gmx-users] failed dependencies   Jayant James Jayasundar
  • [gmx-users] failed dependencies   Tom Joseph
  • [gmx-users] failed dependencies   David van der Spoel
    • [gmx-users] failed dependencies   Florian Haberl
• [gmx-users] Genbox - Removal of Unwanted Waters   chris.neale at utoronto.ca
  • [gmx-users] Genbox - Removal of Unwanted Waters   Arneh Babakhani
• [gmx-users] g_hbond range checking error   Dallas B. Warren
• [gmx-users] problem with profiling grompp using callgrind   ganapathy senthilkumar
  • [gmx-users] problem with profiling grompp using callgrind   David van der Spoel
    • [gmx-users] problem with profiling grompp using callgrind   Berk Hess
      • [gmx-users] problem with profiling grompp using callgrind   David van der Spoel
      • [gmx-users] problem with profiling grompp using callgrind   Berk Hess
• [gmx-users] Speptide - mdrun failed   montserrat.vaque at urv.cat
  • [gmx-users] Speptide - mdrun failed   David van der Spoel
• [gmx-users] Value for bonded force constant (Kb)   raja
  • [gmx-users] Value for bonded force constant (Kb)   Mark Abraham
• [gmx-users] grompp error on nanotube   Aina Quintillá
• [gmx-users] Fatal error: moleculetype SOL is redefined.   Absalom Zamorano
  • [gmx-users] Fatal error: moleculetype SOL is redefined.   Mark Abraham
  • RE : [gmx-users] Fatal error: moleculetype SOL is redefined.   Diane Fournier
• [gmx-users] Fatal error: moleculetype SOL is redefined.   Absalom Zamorano
• [gmx-users] Segmentation fault in "disco"   Fabrizio Mancinelli
  • [gmx-users] Segmentation fault in "disco"   David van der Spoel
• [gmx-users] Water near protein   Ashutosh Jogalekar
  • [gmx-users] Water near protein   X.Periole
  • [gmx-users] Water near protein   Mark Abraham
• [gmx-users] g_angle gets confused by switching default output file names.   chris.neale at utoronto.ca
  • [gmx-users] g_angle gets confused by switching default output file names.   David van der Spoel
• [gmx-users] Getting out of the box!!!   Marcelo Fabricio Masman
  • [gmx-users] Getting out of the box!!!   Tsjerk Wassenaar
    • [gmx-users] Getting out of the box!!!   Marcelo Fabricio Masman
    • [gmx-users] Getting out of the box!!!   Mark Abraham
• [gmx-users] Problems in gromacs   karamyog singh
  • [gmx-users] Problems in gromacs   David van der Spoel
    • [gmx-users] Problems in gromacs   karamyog singh
• [gmx-users] Implementation of time-dependent Electric Field   Viswanadham Sridhara
  • [gmx-users] Implementation of time-dependent Electric Field   David van der Spoel
    • [gmx-users] Implementation of time-dependent Electric Field   Erik Lindahl
      • [gmx-users] Implementation of time-dependent Electric Field   Viswanadham Sridhara
• [gmx-users] Value for bonded force constant (Kb)   raja
  • [gmx-users] Value for bonded force constant (Kb)   Tsjerk Wassenaar
    • [gmx-users] Value for bonded force constant (Kb)   raja
      • [gmx-users] Value for bonded force constant (Kb)   raja
• [gmx-users] simulation of long chains in vacuum   Rongliang Wu
  • [gmx-users] simulation of long chains in vacuum   Mark Abraham
• [gmx-users] How many ps needs a simulation?   jahanshah ashkani
  • [gmx-users] How many ps needs a simulation?   Mark Abraham
    • [gmx-users] 2 beginner´s questions   joao at lnls.br
      • [gmx-users] 2 beginner´s questions   Alan Dodd
      • [gmx-users] 2 beginner´s questions   paloureiro at biof.ufrj.br
      • RE: [gmx-users] 2 beginner´s questions   Gale, Ella
      • [gmx-users] 2 beginner´s questions   Sampo Karkola
      • [gmx-users] 2 beginner´s questions   Miguel Ortiz Lombardia
      • [gmx-users] 2 beginner´s questions   Mark Abraham
      • [gmx-users] 2 beginner´s questions   Sampo Karkola
• [gmx-users] How many ps needs a simulation?   Dallas B. Warren
  • [gmx-users] How many ps needs a simulation?   jahanshah ashkani
    • [gmx-users] How many ps needs a simulation?   X.Periole
  • [gmx-users] How many ps needs a simulation?   Mark Abraham
• [gmx-users] How many ps needs a simulation?   Dallas B. Warren
  • [gmx-users] How many ps needs a simulation?   Tsjerk Wassenaar
• [gmx-users] question on pulling 2 groups in afm run   Linchen Gong
• [gmx-users] angle restraints   Maarten Wolf
  • [gmx-users] angle restraints   David Mobley
• [gmx-users] Re: question on pulling 2 groups in afm run   Emily Walton
  • [gmx-users] Re: question on pulling 2 groups in afm run   Linchen Gong
• [gmx-users] Topology question   Anthony Cruz
  • [gmx-users] Topology question   Steffen Wolf
• [gmx-users] Ngmx   karamyog singh
  • [gmx-users] Ngmx   Mark Abraham
    • [gmx-users] Ngmx   karamyog singh
      • [gmx-users] Ngmx   Mark Abraham
      • [gmx-users] Ngmx   karamyog singh
      • [gmx-users] Ngmx   Tsjerk Wassenaar
      • [gmx-users] Ngmx   karamyog singh
      • [gmx-users] Ngmx   karamyog singh
      • [gmx-users] Ngmx   Tsjerk Wassenaar
• [gmx-users] do_dssp : ssdump data   Senthil Kandasamy
• [gmx-users] position restraints   David Mobley
  • [gmx-users] position restraints   David van der Spoel
    • [gmx-users] position restraints   David Mobley
      • [gmx-users] position restraints   David van der Spoel
• [gmx-users] Pressure error in MD relating to [FILE nsgrid.c, LINE 218]   Gale, Ella
• [gmx-users] mdrun_mpi stops at random   Jason O'Young
• [gmx-users] New website   David van der Spoel
• [gmx-users] (no subject)   lalitha selvam
  • [gmx-users] (no subject)   Mark Abraham
• [gmx-users] Re: Re: angle restraints   Maarten Wolf
  • [gmx-users] Re: Re: angle restraints   David Mobley
• [gmx-users] (no subject)   chris.neale at utoronto.ca
  • [gmx-users] (no subject)   Mark Abraham
• [gmx-users] New website   chris.neale at utoronto.ca
  • [gmx-users] New website   Mark Abraham
  • [gmx-users] New website   Erik Lindahl
    • [gmx-users] New website   Yang Ye
      • [gmx-users] New website   Erik Lindahl
      • [gmx-users] New website   Yang Ye
      • [gmx-users] New website   Erik Lindahl
      • [gmx-users] New website   Yang Ye
      • [gmx-users] New website   Erik Lindahl
    • [gmx-users] question about freezing a group   Linchen Gong
• [gmx-users] Re: [gmx-developers] smalloc.c   Yang Ye
• [gmx-users] Fwd: (A problem with GROMACS)   Tsjerk Wassenaar
• [gmx-users] (no subject)   prasad reddy
  • [gmx-users] (no subject)   Mark Abraham
• [gmx-users] Re: topology transformation   Christian Burisch
• [gmx-users] About calculations of viscosity   Zhao Lifeng
  • [gmx-users] About calculations of viscosity   Berk Hess
• [gmx-users] pressure scaling.   karamyog singh
• [gmx-users] pressure scaling.   Gale, Ella
  • [gmx-users] pressure scaling.   karamyog singh
• SV: [gmx-users] failing to constraint distance   Soren Enemark
• [gmx-users] N-terminal and C-terminal modifications   List User
  • [gmx-users] N-terminal and C-terminal modifications   Mark Abraham
• [gmx-users] question about trjconv   Linchen Gong
  • [gmx-users] question about trjconv   Linchen Gong
• [gmx-users] problem with g_energy in 3.3.1   James Rustad
  • [gmx-users] problem with g_energy in 3.3.1   Paul van Maaren
  • [gmx-users] problem with g_energy in 3.3.1   David van der Spoel
• [gmx-users] Details of force field   arunima singh
• [gmx-users] Re: request   David van der Spoel
• [gmx-users] Fatal Error: moleculetype K is redefined   Venky
• [gmx-users] Fatal Error: moleculetype K is redefined   Dallas B. Warren
• [gmx-users] Constructing New Metal-Containing Topologies in OPLS   M. Jake Pushie
• [gmx-users] How to set constant pulling force in pull.ppa with AFM option?   Hua Li
  • [gmx-users] How to set constant pulling force in pull.ppa with AFM option?   Maik Goette
• [gmx-users] kappa in Generalized reaction field   Tomoshi Kameda
  • [gmx-users] kappa in Generalized reaction field   Berk Hess
    • [gmx-users] kappa in Generalized reaction field   David van der Spoel
      • [gmx-users] kappa in Generalized reaction field   Berk Hess
      • [gmx-users] REMD in parallel   Andrey V. Golovin
      • [gmx-users] REMD in parallel   David van der Spoel
• [gmx-users] protein in popc   mahbubeh zarrabi
• [gmx-users] Re: angle restraints   Maarten Wolf
  • [gmx-users] Re: angle restraints   David Mobley
    • [gmx-users] Re: angle restraints   Maarten Wolf
• [gmx-users] protein in popc   mahbubeh zarrabi
• [gmx-users] large carbohydrates   Peter I. Hansen
  • [gmx-users] large carbohydrates   Tsjerk Wassenaar
    • [gmx-users] large carbohydrates   Peter I. Hansen
      • [gmx-users] large carbohydrates   Tsjerk Wassenaar
      • [gmx-users] large carbohydrates   Tsjerk Wassenaar
• [gmx-users] Re: protein in popc   Graham Smith
  • [gmx-users] Re: protein in popc   Shulin Zhuang
    • [gmx-users] Re: protein in popc   Venky Krishna
• [gmx-users] TI and heavy H   reich at mpikg.mpg.de
  • [gmx-users] TI and heavy H   Lars Schaefer
• [gmx-users] Re: large carbohydrates   Vojtěch Spiwok
  • RES: [gmx-users] Re: large carbohydrates   Hugo Verli
• [gmx-users] Hessian matrix conversion   Lei Zhou
  • [gmx-users] Hessian matrix conversion   Erik Lindahl
    • [gmx-users] Hessian matrix conversion   Lei Zhou
      • [gmx-users] Hessian matrix conversion   David van der Spoel
      • [gmx-users] Hessian matrix conversion   Lei Zhou
      • [gmx-users] Hessian matrix conversion   David van der Spoel
• [gmx-users] Cannot open any files from the website   Joshua D. Moore
  • [gmx-users] Cannot open any files from the website   Paul van Maaren
• [gmx-users] kappa in Generalized reaction field   Tomoshi Kameda
  • [gmx-users] kappa in Generalized reaction field   Berk Hess
• [gmx-users] Problem with g_energy in Gromacs 3.3!   Hu Zhongqiao
  • [gmx-users] Problem with g_energy in Gromacs 3.3!   Paul van Maaren
• [gmx-users] can we calculate chemical shifts   Richa taimni
  • [gmx-users] can we calculate chemical shifts   David van der Spoel
    • [gmx-users] can we calculate chemical shifts   Patrick Fuchs
• [gmx-users] TI and heavy H   reich at mpikg.mpg.de
  • [gmx-users] TI and heavy H   Mark Abraham
  • [gmx-users] TI and heavy H   David Mobley
• [gmx-users] microcanonical   karamyog singh
  • [gmx-users] microcanonical   Mark Abraham
    • [gmx-users] microcanonical   karamyog singh
      • [gmx-users] microcanonical   Mark Abraham
      • [gmx-users] microcanonical   karamyog singh
      • [gmx-users] Does Gromacs work on a molecule which is not protein   Tanping Li
      • [gmx-users] Does Gromacs work on a molecule which is not protein   David van der Spoel
      • RE : [gmx-users] Does Gromacs work on a molecule which is not protein   Diane Fournier
      • [gmx-users] microcanonical   Mark Abraham
      • [gmx-users] microcanonical   karamyog singh
      • [gmx-users] microcanonical   Mark Abraham
      • [gmx-users] microcanonical   karamyog singh
      • [gmx-users] microcanonical   Mark Abraham
      • [gmx-users] microcanonical   karamyog singh
      • [gmx-users] microcanonical   Mark Abraham
      • [gmx-users] microcanonical   karamyog singh
      • [gmx-users] microcanonical   Mark Abraham
      • [gmx-users] microcanonical   karamyog singh
      • [gmx-users] microcanonical   karamyog singh
      • [gmx-users] segmentation fault with fitted gro files   Marta Murcia
      • [gmx-users] segmentation fault with fitted gro files   David van der Spoel
      • [gmx-users] segmentation fault with fitted gro files   Marta Murcia
      • [gmx-users] segmentation fault with fitted gro files   David van der Spoel
      • [gmx-users] segmentation fault with fitted gro files   Marta Murcia
      • [gmx-users] segmentation fault with fitted gro files   Marta Murcia
      • [gmx-users] segmentation fault with fitted gro files   David van der Spoel
      • [gmx-users] microcanonical   Mark Abraham
• [gmx-users] 2 beginner?s questions   Maxim Fedorov
• [gmx-users] AFM pulling   Ariel Alvarez
• [gmx-users] parallel run hangs (not crashed)   chris.neale at utoronto.ca
  • [gmx-users] parallel run hangs (not crashed)   David van der Spoel
  • [gmx-users] parallel run hangs (not crashed)   Mark Abraham
• [gmx-users] Energy Group Exclusions   Bob Johnson
  • [gmx-users] Energy Group Exclusions   Berk Hess
• [gmx-users] parallel run hangs (not crashed)   chris.neale at utoronto.ca
  • [gmx-users] parallel run hangs (not crashed)   David van der Spoel
• [gmx-users] Re: parallel run hangs (not crashed)   Jason O'Young
  • [gmx-users] Re: parallel run hangs (not crashed)   David van der Spoel
• [gmx-users] Archiving all the simulation data   Dallas B. Warren
  • [gmx-users] Archiving all the simulation data   Mark Abraham
  • [Bulk] [gmx-users] Archiving all the simulation data   Yang Ye
    • [Bulk] [gmx-users] Archiving all the simulation data   David van der Spoel
    • [Bulk] [gmx-users] Archiving all the simulation data   Tsjerk Wassenaar
      • [Bulk] [gmx-users] Archiving all the simulation data   David van der Spoel
  • [gmx-users] Archiving all the simulation data   Florian Haberl
    • [gmx-users] Archiving all the simulation data   David van der Spoel
  • [gmx-users] Archiving all the simulation data   Stéphane Téletchéa
• [gmx-users] Archiving all the simulation data   chris.neale at utoronto.ca
• [gmx-users] Benchs on gcc and pgi   Jones de Andrade
  • [gmx-users] Benchs on gcc and pgi   Erik Lindahl
    • [gmx-users] Benchs on gcc and pgi   Jones de Andrade
      • [gmx-users] Benchs on gcc and pgi   Erik Lindahl
• [gmx-users] Re: angle restraints   Maarten Wolf
• [gmx-users] Re: TI and heavy H   reich at mpikg.mpg.de
• [gmx-users] Re: TI and heavy H   reich at mpikg.mpg.de
  • [gmx-users] Re: TI and heavy H   David Mobley
• [gmx-users] Free Volume   Alessandro Mattozzi
  • [gmx-users] Free Volume   David van der Spoel
    • [gmx-users] Free Volume-Pass11   Alessandro Mattozzi
• [gmx-users] Files for CHARMM 27 force field   Shaul Wallach
  • [gmx-users] Files for CHARMM 27 force field   David van der Spoel
  • [gmx-users] Files for CHARMM 27 force field   Mark Abraham
• [gmx-users] insertion   mahbubeh zarrabi
  • [gmx-users] insertion   Xavier Periole
• [gmx-users] Probabilty distribution   Kushal Seth
  • [gmx-users] Probabilty distribution   David van der Spoel
• [gmx-users] How to use g_rdf with -com?   C. D. Poon
  • [gmx-users] How to use g_rdf with -com?   David van der Spoel
• [gmx-users] Turning off the electrostatic interactions with PME   Maxim Fedorov
  • [gmx-users] Turning off the electrostatic interactions with PME   David van der Spoel
• [gmx-users] Turning off the electrostatic interactions   Alpay Temiz
• [gmx-users] Order parameter   Kushal Seth
  • [gmx-users] Order parameter   David van der Spoel
• [gmx-users] New website   Dallas B. Warren
  • [gmx-users] New website   Erik Lindahl
• [gmx-users] How to selectively making temperature coupling   Zhenting Gao
  • [gmx-users] How to selectively making temperature coupling   Mark Abraham
    • [gmx-users] How to selectively making temperature coupling   Berk Hess
• [gmx-users] Pass 11   Alessandro Mattozzi
  • [gmx-users] Pass 11   Christian Burisch
• [gmx-users] (no subject)   karamyog singh
• [gmx-users] errors on restart   gianluca santarossa
  • [gmx-users] errors on restart   MGiò
  • [gmx-users] errors on restart   Mark Abraham
    • [gmx-users] errors on restart   gianluca santarossa
      • [gmx-users] errors on restart   Mark Abraham
      • [gmx-users] errors on restart   gianluca santarossa
      • [gmx-users] errors on restart   Mark Abraham
      • [gmx-users] errors on restart   Florian Haberl
      • [gmx-users] errors on restart   gianluca santarossa
• [gmx-users] errors on restart with tpbconv   gianluca santarossa
  • [gmx-users] errors on restart with tpbconv   gianluca santarossa
  • [gmx-users] errors on restart with tpbconv   Florian Haberl
    • [gmx-users] errors on restart with tpbconv   gianluca santarossa
      • [gmx-users] errors on restart with tpbconv   Mark Abraham
• [gmx-users] Re: graph edges problem   Manohar Murthi
• [gmx-users] No default bond,angle,dihedral types   Ioannis Tanis
• [gmx-users] Re: TI and heavy H   reich at mpikg.mpg.de
• [gmx-users] Accelrys to Gromacs   Tandia, Adama
• [gmx-users] Question about Athlon 64 4800+ x2 (poor performance)   gromacs3
  • [gmx-users] Question about Athlon 64 4800+ x2 (poor performance)   David van der Spoel
  • [gmx-users] Question about Athlon 64 4800+ x2 (poor performance)   Stéphane Téletchéa
• [gmx-users] make template   Stephan Mackowiak
  • [gmx-users] make template   David van der Spoel
• [gmx-users] CHARMM force field - contribution???   Nevena Todorova
• [gmx-users] Trajectories sampling   Alessandro Mattozzi
• [gmx-users] help - pr   lalitha selvam
• [gmx-users] g_rdf & graph edges   Manohar Murthi
  • [gmx-users] g_rdf & graph edges   David van der Spoel
• [gmx-users] position restrained energy minimization   Jayant James Jayasundar
  • [gmx-users] position restrained energy minimization   David van der Spoel
• [gmx-users] how to use g_sham ?   Liang
  • [gmx-users] how to use g_sham ?   David van der Spoel
    • [gmx-users] how to use g_sham ?   Liang
      • [gmx-users] how to use g_sham ?   David van der Spoel
• [gmx-users] Gromacs to amber atom type   Mahnam
• [gmx-users] Problem with trjorder in 3.3.1   Hu Zhongqiao
  • [gmx-users] Problem with trjorder in 3.3.1   Berk Hess
• [gmx-users] [Fwd: DNA separation]   Beniamino Sciacca
  • [gmx-users] [Fwd: DNA separation]   X.Periole
• [gmx-users] How to calculate the diffusion coefficient in hydration shell?   Hu Zhongqiao
• [gmx-users] Join my Earthscreen network   Dhananjay
• [gmx-users] parallel PME documentation request   Mark Abraham
• [gmx-users] Microcanonical   A B
  • [gmx-users] Microcanonical   David van der Spoel
    • [gmx-users] Microcanonical   karamyog singh
• [gmx-users] Microcanonical   A B
  • [gmx-users] Microcanonical   David van der Spoel
• [gmx-users] Dihedral around X,Y not found in topology.   Abhishek Rathod
  • [gmx-users] Re: Dihedral around X,Y not found in topology.   Abhishek Rathod
• [gmx-users] ions   Beniamino Sciacca
• [gmx-users] Microcanonical   A B
• [gmx-users] g_dist   Kay Gottschalk
  • [gmx-users] g_dist   Xavier Periole
    • [gmx-users] g_dist   Kay Gottschalk
      • [gmx-users] g_dist   Xavier Periole
      • [gmx-users] g_dist   Kay Gottschalk
      • [gmx-users] g_dist   Alan Dodd
      • [gmx-users] g_dist   Kay Gottschalk
      • [gmx-users] g_dist   Xavier Periole
• [gmx-users] To add all hydrogens   montserrat.vaque at urv.cat
  • [gmx-users] To add all hydrogens   Kay Gottschalk
  • [gmx-users] To add all hydrogens   Xavier Periole
• [gmx-users] Re: g_dist   Kia Balali-Mood
• [gmx-users] Solventbox equilibration   Anthony Cruz
  • [gmx-users] Solventbox equilibration   David van der Spoel
  • [gmx-users] p4_error: interrupt SIGSEGV   Yangyang Shen
    • [gmx-users] p4_error: interrupt SIGSEGV   David van der Spoel
      • [gmx-users] p4_error: interrupt SIGSEGV   Yangyang Shen
      • [gmx-users] p4_error: interrupt SIGSEGV   David van der Spoel
• [gmx-users] Parameters for unnatural amino acid F-Phe   Vanessa Oklejas
  • [gmx-users] Simulating crystalls   Gale, Ella
    • [gmx-users] Simulating crystalls   Mark Abraham
      • [gmx-users] Simulating crystalls   Gale, Ella
      • [gmx-users] Simulating crystalls   David van der Spoel
      • [gmx-users] Simulating crystalls   Mark Abraham
      • [gmx-users] Simulating crystalls   karamyog singh
      • [gmx-users] Simulating crystalls   Mark Abraham
      • [gmx-users] Simulating crystalls   karamyog singh
      • [gmx-users] Simulating crystalls   Mark Abraham
      • [gmx-users] Simulating crystalls   karamyog singh
      • [gmx-users] Simulating crystalls   Mark Abraham
      • [gmx-users] Simulating crystalls   karamyog singh
      • [gmx-users] Simulating crystalls   karamyog singh
      • [gmx-users] Re: Simulating crystalls   Yang Ye
      • [gmx-users] Lipid Order Parameters - Calculating & Plotting   Arneh Babakhani
      • [gmx-users] Lipid Order Parameters - Calculating & Plotting   Arneh Babakhani
      • [gmx-users] Lipid Order Parameters - Calculating & Plotting   paloureiro at biof.ufrj.br
      • [gmx-users] Lipid Order Parameters - Calculating & Plotting   Arneh Babakhani
      • [gmx-users] Lipid Order Parameters - Calculating & Plotting   Alan Dodd
• [gmx-users] request   hadi behzadi
  • [gmx-users] request   David van der Spoel
    • [gmx-users] FF choice.   gianluca santarossa
  • [gmx-users] request   Mahnam
• [gmx-users] POPC simulation   Arindam Ganguly
  • [gmx-users] POPC simulation   Steffen Wolf
• [gmx-users] PBC and large hydrogen-bonded molecules   mernst at tricity.wsu.edu
  • [gmx-users] PBC and large hydrogen-bonded molecules   Mark Abraham
    • [gmx-users] PBC and large hydrogen-bonded molecules   Tsjerk Wassenaar
• [gmx-users] PBC and large hydrogen-bonded molecules   Dallas B. Warren
• [gmx-users] g_sgangle---facing problem using this option   Richa taimni
  • [gmx-users] g_sgangle---facing problem using this option   David van der Spoel
• [gmx-users] tbpconv   Magnus Andersson
  • [gmx-users] tbpconv   Mark Abraham
• [gmx-users] Suggestions awaited   richa taimni
• [gmx-users] Ions close to protein   Joanne Hanna
  • [gmx-users] Ions close to protein   David van der Spoel
  • [gmx-users] Ions close to protein   Xavier Periole
    • [gmx-users] Ions close to protein   David Mobley
      • [gmx-users] Ions close to protein   David van der Spoel
      • [gmx-users] Ions close to protein   Berk Hess
• [gmx-users] POPC simulation   Arindam Ganguly
  • [gmx-users] POPC simulation   Steffen Wolf
• [gmx-users] forcefield   hadi behzadi
  • [gmx-users] forcefield   Mark Abraham
    • [gmx-users] forcefield   Tsjerk Wassenaar
• [gmx-users] Beware of your interconnect hardware   Jason O'Young
  • [gmx-users] Beware of your interconnect hardware   David van der Spoel
  • [gmx-users] Beware of your interconnect hardware   Mark Abraham
• [gmx-users] ffAMBER ports updated   Eric J. Sorin
• [gmx-users] g_h2order problem   Rongliang Wu
  • [gmx-users] g_h2order problem   David van der Spoel
• [gmx-users] fep calculation of L-Asn - D-Asn transition   Alexandra Patriksson
  • [gmx-users] fep calculation of L-Asn - D-Asn transition   Berk Hess
• [gmx-users] g_h2order still makes problem   Rongliang Wu
• [gmx-users] error in gromppp   Ioannis Tanis
• [gmx-users] CHARMM force field in GROMACS   Mark Abraham
• [gmx-users] Position restrain   Alessandro Mattozzi
  • [gmx-users] Position restrain   Xavier Periole
• [gmx-users] Stange results of bonds fep   Oleg Stroganov
• [gmx-users] POPC simulation   Arindam Ganguly
  • [gmx-users] POPC simulation   Jim Fonseca
• [gmx-users] POPC simulation   Arindam Ganguly
  • [gmx-users] POPC simulation   Jim Fonseca
• [gmx-users] g_h2order still makes problem   Dallas B. Warren
• [gmx-users] g_dipoles -slab option   Bob Johnson
  • [gmx-users] g_dipoles -slab option   Paul van Maaren
• [gmx-users] install woe: Cannot find fftw3f library (Cygwin Bash)   Ralf B. Lukner
  • [gmx-users] install woe: Cannot find fftw3f library (Cygwin Bash)   Mark Abraham
  • [gmx-users] install woe: Cannot find fftw3f library (Cygwin Bash)   Yang Ye
• [gmx-users] PDB2GMX PROBLEM: *** buffer overflow detected ***: pdb2gmx terminated   Anthony Cruz
  • [gmx-users] PDB2GMX PROBLEM: *** buffer overflow detected ***: pdb2gmx terminated   David van der Spoel
• [gmx-users] PDB2GMX PROBLEM: *** buffer overflow detected ***: pdb2gmx terminated   Anthony Cruz
  • [gmx-users] PDB2GMX PROBLEM: *** buffer overflow detected ***: pdb2gmx terminated   Mark Abraham
• [gmx-users] Problem: parallel inefficient scaling with Mac Intel Core Duo   Yiannis
  • [gmx-users] Problem: parallel inefficient scaling with Mac Intel Core Duo   David van der Spoel
    • [gmx-users] Problem: parallel inefficient scaling with Mac Intel Core Duo   Yiannis Nicolis
      • [gmx-users] Problem: parallel inefficient scaling with Mac Intel Core Duo   David van der Spoel
• [gmx-users] POPC simulation   chris.neale at utoronto.ca
• [gmx-users] total energy of system is positive,MD normal ?   linfu
  • [gmx-users] total energy of system is positive,MD normal ?   David van der Spoel
• [gmx-users] Position restrain   Alessandro Mattozzi
  • [gmx-users] Position restrain   David van der Spoel
• [gmx-users] FW: Position restrain   Alessandro Mattozzi
• [gmx-users] too long a simulation.   karamyog singh
  • [gmx-users] too long a simulation.   Mark Abraham
  • [gmx-users] too long a simulation.   Tsjerk Wassenaar
• [gmx-users] Re: parallel run hangs (not crashed)   chris.neale at utoronto.ca
  • [gmx-users] Re: parallel run hangs (not crashed)   Mark Abraham
• [gmx-users] TI, sampling, sc_power, and sc_alpha   mernst at tricity.wsu.edu
  • [gmx-users] TI, sampling, sc_power, and sc_alpha   Berk Hess
    • [gmx-users] TI, sampling, sc_power, and sc_alpha   David Mobley
• [gmx-users] binutils error msg x86_64-unknown-linux-gnu   Jayant James Jayasundar
• [gmx-users] bad contacts and/or reduc   davood ajloo
  • [gmx-users] bad contacts and/or reduc   Tsjerk Wassenaar
• [gmx-users] channel in popc   mahbubeh zarrabi
• [gmx-users] channel in popc   mahbubeh zarrabi
• [gmx-users] pair interaction in ligand topology file   4tejender
  • [gmx-users] pair interaction in ligand topology file   Mark Abraham
  • [gmx-users] pair interaction in ligand topology file   David Mobley
• [gmx-users] removing some solvent molecules   gil claudio
  • [gmx-users] removing some solvent molecules   Mark Abraham
• [gmx-users] Coordinates of the Centre of Mass.   Annie Albin
  • [gmx-users] Coordinates of the Centre of Mass.   X.Periole
    • [gmx-users] Coordinates of the Centre of Mass.   Annie Albin
• [gmx-users] Normal mode analysis - reference [34] in the Gromacs manual   Ran Friedman
  • [gmx-users] Normal mode analysis - reference [34] in the Gromacs manual   David van der Spoel
• [gmx-users] Best FF for Morse Potential   Егоров Д.А.
  • [gmx-users] Best FF for Morse Potential   Mark Abraham
  • [gmx-users] Best FF for Morse Potential   David van der Spoel
• [gmx-users] total energy of system is positive,MD normal ?   Mark Abraham
• [gmx-users] POPC simulation   Arindam Ganguly
• [gmx-users] oplsaa dihedral with minimum at 222 degrees   Ben Harland
  • [gmx-users] oplsaa dihedral with minimum at 222 degrees   David van der Spoel
• [gmx-users] channel in popc   Dallas B. Warren
• [gmx-users] How to use the simulated annealing porotocal of gromacs 3.3?   SUN, Jian
• [gmx-users] Different gromacs version question   Anthony Cruz
  • [gmx-users] Different gromacs version question   David van der Spoel
• [gmx-users] how choose k value in .ppa file   Marco Deriu
• [gmx-users] system size.   karamyog singh
  • [gmx-users] system size.   David van der Spoel
  • [gmx-users] system size.   Mark Abraham
    • [gmx-users] system size.   karamyog singh
• [gmx-users] step.pdb files with titel "one step before crash"   Ge Sunny
• [gmx-users] Re: TI, sampling, sc_power, and sc_alpha   mernst at tricity.wsu.edu
  • [gmx-users] Re: TI, sampling, sc_power, and sc_alpha   David Mobley
• [gmx-users] Re: TI, sampling, sc_power, and sc_alpha   mernst at tricity.wsu.edu
  • [gmx-users] Re: TI, sampling, sc_power, and sc_alpha   David Mobley
• [gmx-users] step.pdb files with titel "one step before crash"   Dallas B. Warren
• [gmx-users] Warnings in runing tutorial files   sina
• [gmx-users] intel compiler + amd64: help needed.   Jones de Andrade
  • [gmx-users] intel compiler + amd64: help needed.   David van der Spoel
    • [gmx-users] intel compiler + amd64: help needed.   Jones de Andrade
      • [gmx-users] intel compiler + amd64: help needed.   Tom Joseph
• [gmx-users] pair interaction in ligand topology file   David Mobley
  • [gmx-users] tin-foil bc   Magdalena Siwko
    • [gmx-users] tin-foil bc   David van der Spoel
      • [gmx-users] tin-foil bc   Yang Ye
• [gmx-users] intel compiler + amd64: help needed.   David Mathog
  • [gmx-users] intel compiler + amd64: help needed.   Jones de Andrade
    • [gmx-users] intel compiler + amd64: help needed.   David van der Spoel
      • [gmx-users] intel compiler + amd64: help needed.   Jones de Andrade
      • [gmx-users] intel compiler + amd64: help needed.   David van der Spoel
      • [gmx-users] intel compiler + amd64: help needed.   Jones de Andrade
      • [gmx-users] intel compiler + amd64: help needed.   David van der Spoel
      • [gmx-users] intel compiler + amd64: help needed.   Jones de Andrade
• [gmx-users] intel compiler + amd64: help needed.   David Mathog
• [gmx-users] intel compiler + amd64: help needed.   David Mathog
  • [gmx-users] intel compiler + amd64: help needed.   Jones de Andrade
    • [gmx-users] intel compiler + amd64: help needed.   David van der Spoel
    • [gmx-users] intel compiler + amd64: help needed.   Yang Ye
• [gmx-users] intel compiler + amd64: help needed.   David Mathog

Last message date: Wed May 31 22:51:22 CEST 2006
Archived on: Thu Nov 14 12:02:55 CET 2013

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