May 2006 Archives by date

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

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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