June 2015 Archives by author

Messages sorted by: [ thread ] [ subject ] [ date ]
More info on this list...

Starting: Mon Jun 1 08:28:34 CEST 2015
Ending: Tue Jun 30 23:57:19 CEST 2015
Messages: 754

[gmx-users] membrane model ABEL Stephane 175950
[gmx-users] CHARMM Pulling LINCS Error Todd 53148
[gmx-users] constraint pull code / gromacs 5.0.4 CARDELLINI ANNALISA
[gmx-users] constraint pull code / gromacs 5.0.4 CARDELLINI ANNALISA
[gmx-users] constraint pull code / gromacs 5.0.4 CARDELLINI ANNALISA
[gmx-users] new box types Mark Abraham
[gmx-users] temperature problem Mark Abraham
[gmx-users] GROMACS http download? Mark Abraham
[gmx-users] GROMACS http download? Mark Abraham
[gmx-users] Problem with mdrun on 8CPUs and 1GPU for gromacs 4.6.3 Mark Abraham
[gmx-users] does gromos force field support implicit solvent? Mark Abraham
[gmx-users] Atomtype OW not found Mark Abraham
[gmx-users] on the gmx solvate command Mark Abraham
[gmx-users] Is gromacs tutorial website down? Mark Abraham
[gmx-users] g_dist tools Mark Abraham
[gmx-users] Problems installing gromacs 5.0.4 with plumed 2.1.2 for MPI Mark Abraham
[gmx-users] Microwave Mark Abraham
[gmx-users] GROMACS ftp server Mark Abraham
[gmx-users] GROMACS ftp server Mark Abraham
[gmx-users] Problems installing gromacs 5.0.4 with plumed 2.1.2 for MPI Mark Abraham
[gmx-users] Problems installing gromacs 5.0.4 with plumed 2.1.2 for MPI Mark Abraham
[gmx-users] Problems installing gromacs 5.0.4 with plumed 2.1.2 for MPI Mark Abraham
[gmx-users] Problems installing gromacs 5.0.4 with plumed 2.1.2 for MPI Mark Abraham
[gmx-users] Problems installing gromacs 5.0.4 with plumed 2.1.2 for MPI Mark Abraham
[gmx-users] Clustering energy minimized equally space frames Mark Abraham
[gmx-users] problem using grompp Mark Abraham
[gmx-users] why gromacs cannot repeat out the results? Mark Abraham
[gmx-users] problem using grompp Mark Abraham
[gmx-users] Clustering energy minimized equally space frames Mark Abraham
[gmx-users] Clustering energy minimized equally space frames Mark Abraham
[gmx-users] Vacuum simulation in Gromacs 5 Mark Abraham
[gmx-users] Vacuum simulation in Gromacs 5 Mark Abraham
[gmx-users] Vacuum simulation in Gromacs 5 Mark Abraham
[gmx-users] how can we merge SOL into protein.itp? Mark Abraham
[gmx-users] how can we merge SOL into protein.itp? Mark Abraham
[gmx-users] Potential Energy-Umbrella sampling Mark Abraham
[gmx-users] Potential Energy-Umbrella sampling Mark Abraham
[gmx-users] GMX 5.0.5 x2top segfaults Mark Abraham
[gmx-users] water in bulk Mark Abraham
[gmx-users] problem to restart REMD Mark Abraham
[gmx-users] problem to restart REMD Mark Abraham
[gmx-users] installation errors Mark Abraham
[gmx-users] installation errors Mark Abraham
[gmx-users] Get pdb2gmx not to treat the first nucleotide in a chain as 5' Mark Abraham
[gmx-users] GMX_LARGEFILES looks ignored in cmake of gromacs-5.0.5 Mark Abraham
[gmx-users] REMD mdrun_mpi error Mark Abraham
[gmx-users] GMX_LARGEFILES looks ignored in cmake of gromacs-5.0.5 Mark Abraham
[gmx-users] Dynamic updating of nstlist in gromacs 5 screws up simulation results Mark Abraham
[gmx-users] How can I use template.c to calculate single point energy? Mark Abraham
[gmx-users] problem to restart REMD Mark Abraham
[gmx-users] Viewing gromacs .xtc trajectory 'Error reading timestep, file does not match format' Mark Abraham
[gmx-users] Viewing gromacs .xtc trajectory 'Error reading timestep, file does not match format' Mark Abraham
[gmx-users] error gcq#360 Mark Abraham
[gmx-users] Configuration bug preventing GROMACS 5.0 build with Intel compiler? Mark Abraham
[gmx-users] problem to restart REMD Mark Abraham
[gmx-users] System Problem Mark Abraham
[gmx-users] problem to restart REMD Mark Abraham
[gmx-users] Energy minimisation goes to several values Mark Abraham
[gmx-users] interval simulation Mark Abraham
[gmx-users] Facing problem in gromacs installation Mark Abraham
[gmx-users] question Mark Abraham
[gmx-users] OpenMPI version 1.2.8 Mark Abraham
[gmx-users] Facing problem in gromacs installation Mark Abraham
[gmx-users] Two strange problems when using GPU on multiple nodes Mark Abraham
[gmx-users] Compiling GMX for GPU Mark Abraham
[gmx-users] Strange behavior of water droplet on a solid surface with Verlet cutoff scheme in GMX 5.0.4 Mark Abraham
[gmx-users] Strange behavior of water droplet on a solid surface with Verlet cutoff scheme in GMX 5.0.4 Mark Abraham
[gmx-users] Compiling GMX for GPU Mark Abraham
[gmx-users] Compiling GMX for GPU Mark Abraham
[gmx-users] Compiling GMX for GPU Mark Abraham
[gmx-users] Two strange problems when using GPU on multiple nodes Mark Abraham
[gmx-users] gromacs-loacal pressure Soheila Aghdam
[gmx-users] Making a bigger lipid bilayer box Nitin Agrawal
[gmx-users] Hypothetical Scanning Molecular Dynamics in Gromacs? Albert
[gmx-users] SwissParam itp files Albert
[gmx-users] how to superimpose protein in frames? Albert
[gmx-users] how can we merge SOL into protein.itp? Albert
[gmx-users] how can we merge SOL into protein.itp? Albert
[gmx-users] polarisable force field in Gromacs? Albert
[gmx-users] how to configure PBS for GPU workstation for Gromacs? Albert
[gmx-users] Microwave Alex
[gmx-users] GPU acceleration Alex
[gmx-users] GPU acceleration Alex
[gmx-users] GPU acceleration Alex
[gmx-users] GPU acceleration Alex
[gmx-users] Microwave Alex
[gmx-users] cudaStreamSynchronize failed in cu_blockwait_nb Alex
[gmx-users] cudaStreamSynchronize failed in cu_blockwait_nb Alex
[gmx-users] GPU acceleration Alex
[gmx-users] GPU acceleration Alex
[gmx-users] About Pulling code in Gromacs 5.0.2 Alex
[gmx-users] GPU acceleration Alex
[gmx-users] GMX 5.0.5 x2top segfaults Alex
[gmx-users] GMX 5.0.5 x2top segfaults Alex
[gmx-users] Get pdb2gmx not to treat the first nucleotide in a chain as 5' Alex
[gmx-users] constraint pull code / gromacs 5.0.4 Alex
[gmx-users] constraint pull code / gromacs 5.0.4 Alex
[gmx-users] constraint pull code / gromacs 5.0.4 Alex
[gmx-users] constraint pull code / gromacs 5.0.4 Alex
[gmx-users] constraint pull code / gromacs 5.0.4 Alex
[gmx-users] Linking Gamess-US with gromacs Alex
[gmx-users] Linking Gamess-US with gromacs Alex
[gmx-users] Linking Gamess-US with gromacs Alex
[gmx-users] GPU and aux power supply Alex
[gmx-users] GPU and aux power supply Alex
[gmx-users] GPU and aux power supply Alex
[gmx-users] GPU and aux power supply Alex
[gmx-users] Compiling GMX for GPU Alex
[gmx-users] Compiling GMX for GPU Alex
[gmx-users] Compiling GMX for GPU Alex
[gmx-users] Compiling GMX for GPU Alex
[gmx-users] Atomtype OW not found Rasha Alqus
[gmx-users] Pressure Coupling in GROMACS Jashimuddin Ashraf
[gmx-users] Pressure Coupling in GROMACS Jashimuddin Ashraf
[gmx-users] Cyclohexane OPLS-AA topology Simone Aureli
[gmx-users] Atomtype OW not found Barnett, James W
[gmx-users] solvation by ethanol Barnett, James W
[gmx-users] CLAYFF in GROMACS Fabienne Bessac
[gmx-users] Facing problem in gromacs installation Akshay Bhatnagar
[gmx-users] Linking Gamess-US with gromacs Akshay Bhatnagar
[gmx-users] Facing problem in gromacs installation Akshay Bhatnagar
[gmx-users] question Andrew Bostick
[gmx-users] on the gmx solvate command Brett
[gmx-users] on gmx make_ndx Brett
[gmx-users] on gmx make_ndx Brett
[gmx-users] Viewing gromacs .xtc trajectory 'Error reading timestep, file does not match format' Vidyalakshmi CM
[gmx-users] Viewing gromacs .xtc trajectory 'Error reading timestep, file does not match format' Vidyalakshmi CM
[gmx-users] (no subject) Vidyalakshmi CM
[gmx-users] (no subject) Vidyalakshmi CM
[gmx-users] Fatal error: Atom type AU (residue LIG) not found in atomtype database Amanda Cameron
[gmx-users] dx2_pbc() function and BOX_MARGIN Elton Carvalho
[gmx-users] Problem with GROMACS and AMBER ff Celia
[gmx-users] Fatal error: The X-size of the box times triclinic skew factor is smaller than the number of DD cells times the smallest allowed cell size Kevin C Chan
[gmx-users] No default Ryckaert-Bell. types for proline Kevin C Chan
[gmx-users] No default Ryckaert-Bell. types for proline Kevin C Chan
[gmx-users] No default Ryckaert-Bell. types for proline Kevin C Chan
[gmx-users] No default Ryckaert-Bell. types for proline Kevin C Chan
[gmx-users] No default Ryckaert-Bell. types for proline Kevin C Chan
[gmx-users] Changing selections in Umbrella Sampling Kevin C Chan
[gmx-users] position restraints Kevin C Chan
[gmx-users] Energy minimisation goes to several values Kevin C Chan
[gmx-users] Energy minimisation goes to several values Kevin C Chan
[gmx-users] Energy minimisation goes to several values Kevin C Chan
[gmx-users] Volume of active site Raj D
[gmx-users] Volume of active site Raj D
[gmx-users] Volume of active site Raj D
[gmx-users] Volume of active site Raj D
[gmx-users] Volume of active site Raj D
[gmx-users] Volume of active site Raj D
[gmx-users] Gromacs on a Power8 machine Baker D.J.
[gmx-users] Dynamic updating of nstlist in gromacs 5 screws up simulation results Michael Daily
[gmx-users] Does Gromacs take advantage of ECC memory? Andrew DeYoung
[gmx-users] Building a Larger Liquid Phase - Truncate 'Vacuum' John Degenstein
[gmx-users] Building a Larger Liquid Phase - Truncate 'Vacuum' John Degenstein
[gmx-users] Explicit Hydrogen LJ param Marcelo Depólo
[gmx-users] il -simulation -reg Uma Devi
[gmx-users] GROMACS http download? Jorge Fernandez de Cossio Diaz
[gmx-users] Resuming GROMACS simulation in a different computer? Jorge Fernandez de Cossio Diaz
[gmx-users] Atomtype OW not found Tamir Dingjan
[gmx-users] joining line in rms Debajyoti Dutta
[gmx-users] Alchemically Change 1-4 Interactions Eric Dybeck
[gmx-users] trjorder time-consuming Rebeca García Fandiño
[gmx-users] mdrun domain decomposition in GROMACS 5 and GROMACS 4 Rebeca García Fandiño
[gmx-users] OpenMPI version 1.2.8 Oteri Francesco
[gmx-users] error group protein not found Victor Rosas Garcia
[gmx-users] Volume of active site Gaurav Goel
[gmx-users] Fractional charge for protein after topology preparation Agnivo Gosai
[gmx-users] Linking Gamess-US with gromacs (Akshay Bhatnagar) Groenhof, Gerrit
[gmx-users] Implicit Solvent Gromacs 4.5.5, LINC errors in pulling simulations Mona Habibi
[gmx-users] Saving Changes in FF files João Henriques
[gmx-users] epsilon_r option HongTham
[gmx-users] Center of mass motion removal HongTham
[gmx-users] 5.0 Benchmark Adam Huffman
[gmx-users] Immediate PhD Opening In Computational Structural Biology Of Membrane Proteins Marawan Hussien
[gmx-users] GROMOS Force Field Isser, Ariel Y.
[gmx-users] which file to use to analyze trajectory using code Sahithya S Iyer
[gmx-users] which file to use to analyze trajectory using code Sahithya S Iyer
[gmx-users] creating index for first hydration layer water molecules Sahithya S Iyer
[gmx-users] creating index for first hydration layer water molecules Sahithya S Iyer
[gmx-users] which file to use to analyze trajectory using code Sahithya S Iyer
[gmx-users] Problem in energy minimization Jin J.C
[gmx-users] Problem in energy minimization Jin J.C
[gmx-users] Problem in energy minimization Jin J.C
[gmx-users] Microwave Mostafa Javaheri
[gmx-users] Microwave Mostafa Javaheri
[gmx-users] Microwave Mostafa Javaheri
[gmx-users] Vacuum simulation in Gromacs 5 Jan Jirsák
[gmx-users] Vacuum simulation in Gromacs 5 Jan Jirsák
[gmx-users] Vacuum simulation in Gromacs 5 Jan Jirsák
[gmx-users] Vacuum simulation in Gromacs 5 Jan Jirsák
[gmx-users] Vacuum simulation in Gromacs 5 Jan Jirsák
[gmx-users] Vacuum simulation in Gromacs 5 Jan Jirsák
[gmx-users] Vacuum simulation in Gromacs 5 Jan Jirsák
[gmx-users] Vacuum simulation in Gromacs 5 Jan Jirsák
[gmx-users] Strange behavior of water droplet on a solid surface with Verlet cutoff scheme in GMX 5.0.4 Jan Jirsák
[gmx-users] Volume of active site RINU KHATTRI
[gmx-users] Surface tension calculation and counting number of interfacial molecules Siddhesh Kamat
[gmx-users] fullerene crashes during energy minimization Tamas Karpati
[gmx-users] .trr file Swapnil Kate
[gmx-users] .trr file Swapnil Kate
[gmx-users] .trr file Swapnil Kate
[gmx-users] .trr file Swapnil Kate
[gmx-users] problem with mdrun Swapnil Kate
[gmx-users] gas phase force field Swapnil Kate
[gmx-users] gas phase force field Swapnil Kate
[gmx-users] pi pi stacking interaction Netaly Khazanov
[gmx-users] Creating custom position restraints for a multi-chain protein Kolmus, Elizabeth K.
[gmx-users] Creating custom position restraints for a multi-chain protein Kolmus, Elizabeth K.
[gmx-users] filling a mesopore with water Maryam Kowsar
[gmx-users] filling a mesopore with water Maryam Kowsar
[gmx-users] temperature problem Peter Kroon
[gmx-users] solvation by ethanol Kumar Meena, Santosh
[gmx-users] Adding a substrate into protein-lipid bilayer system Justin Lemkul
[gmx-users] energy minimization problem Justin Lemkul
[gmx-users] confusion on NPT MD simulation Justin Lemkul
[gmx-users] Fatal error: The X-size of the box times triclinic skew factor is smaller than the number of DD cells times the smallest allowed cell size Justin Lemkul
[gmx-users] energy minimization problem Justin Lemkul
[gmx-users] energy minimization problem Justin Lemkul
[gmx-users] Adding a substrate into protein-lipid bilayer system Justin Lemkul
[gmx-users] No default Ryckaert-Bell. types for proline Justin Lemkul
[gmx-users] VMD Visulazation Justin Lemkul
[gmx-users] trjcat issue Justin Lemkul
[gmx-users] Constraints in the villin system Justin Lemkul
[gmx-users] No default Ryckaert-Bell. types for proline Justin Lemkul
[gmx-users] Adding a substrate into protein-lipid bilayer system Justin Lemkul
[gmx-users] bend angles of a kink motif Justin Lemkul
[gmx-users] No default Ryckaert-Bell. types for proline Justin Lemkul
[gmx-users] Microwave Justin Lemkul
[gmx-users] g_hbond on trajectory Justin Lemkul
[gmx-users] Tutorial site down Justin Lemkul
[gmx-users] Alchemically Change 1-4 Interactions Justin Lemkul
[gmx-users] No default Ryckaert-Bell. types for proline Justin Lemkul
[gmx-users] No default Ryckaert-Bell. types for proline Justin Lemkul
[gmx-users] temperature problem Justin Lemkul
[gmx-users] Invalid command line argument Justin Lemkul
[gmx-users] trjorder time-consuming Justin Lemkul
[gmx-users] Questions about the topology file format Justin Lemkul
[gmx-users] Problem in energy minimization Justin Lemkul
[gmx-users] temperature problem Justin Lemkul
[gmx-users] g_helix issue Justin Lemkul
[gmx-users] free energy binding problem Justin Lemkul
[gmx-users] on the gmx solvate command Justin Lemkul
[gmx-users] nvt equilibration Justin Lemkul
[gmx-users] temperature problem Justin Lemkul
[gmx-users] free energy binding Justin Lemkul
[gmx-users] nvt equilibration: error Justin Lemkul
[gmx-users] All bulk is moving during Umbrella sampling Justin Lemkul
[gmx-users] .trr file Justin Lemkul
[gmx-users] il -simulation -reg Justin Lemkul
[gmx-users] .trr file Justin Lemkul
[gmx-users] .trr file Justin Lemkul
[gmx-users] gmx distance Justin Lemkul
[gmx-users] temperature problem Justin Lemkul
[gmx-users] OPLS definition of Phenyl palmitate Justin Lemkul
[gmx-users] gmx distance Justin Lemkul
[gmx-users] extending SMD simulation Justin Lemkul
[gmx-users] temperature problem Justin Lemkul
[gmx-users] All bulk is moving during Umbrella sampling Justin Lemkul
[gmx-users] SwissParam itp files Justin Lemkul
[gmx-users] download problem Justin Lemkul
[gmx-users] Pressure Coupling in GROMACS Justin Lemkul
[gmx-users] Extending simulation not work: always re-start from the beginning Justin Lemkul
[gmx-users] Pressure Coupling in GROMACS Justin Lemkul
[gmx-users] All bulk is moving during Umbrella sampling Justin Lemkul
[gmx-users] SwissParam itp files Justin Lemkul
[gmx-users] Syntax to use "gmx convert-tpr" Justin Lemkul
[gmx-users] OPLS definition of Phenyl palmitate Justin Lemkul
[gmx-users] gmx distance Justin Lemkul
[gmx-users] download problem Justin Lemkul
[gmx-users] Hi Justin Lemkul
[gmx-users] gmx distance Justin Lemkul
[gmx-users] creating index for first hydration layer water molecules Justin Lemkul
[gmx-users] download problem Justin Lemkul
[gmx-users] Making a bigger lipid bilayer box Justin Lemkul
[gmx-users] Tutorial site down Justin Lemkul
[gmx-users] Resuming GROMACS simulation in a different computer? Justin Lemkul
[gmx-users] Donor acceptor detection Justin Lemkul
[gmx-users] Regarding SwissParam topology Justin Lemkul
[gmx-users] creating index for first hydration layer water molecules Justin Lemkul
[gmx-users] gmx distance Justin Lemkul
[gmx-users] regarding SwissParam topology Justin Lemkul
[gmx-users] Ion binding to DNA Justin Lemkul
[gmx-users] Vacuum simulation in Gromacs 5 Justin Lemkul
[gmx-users] how to superimpose protein in frames? Justin Lemkul
[gmx-users] files related to commands in C or FORTRAN Justin Lemkul
[gmx-users] files related to commands in C or FORTRAN Justin Lemkul
[gmx-users] Usage of g_spatial Justin Lemkul
[gmx-users] .mdp parameters source codes Justin Lemkul
[gmx-users] position restraints Justin Lemkul
[gmx-users] Fwd: i want to use water_detetor.pl script Justin Lemkul
[gmx-users] .mdp parameters source codes Justin Lemkul
[gmx-users] Explicit Hydrogen LJ param Justin Lemkul
[gmx-users] Fatal error: Atom type AU (residue LIG) not found in atomtype database Justin Lemkul
[gmx-users] Problem with GROMACS and AMBER ff Justin Lemkul
[gmx-users] GMX 5.0.5 x2top segfaults Justin Lemkul
[gmx-users] confusion on NPT MD simulation Justin Lemkul
[gmx-users] specbond files Justin Lemkul
[gmx-users] mdrun domain decomposition in GROMACS 5 and GROMACS 4 Justin Lemkul
[gmx-users] how to turn on constraints in CHARMM-GUI generated Gromacs setup? Justin Lemkul
[gmx-users] how to turn on constraints in CHARMM-GUI generated Gromacs setup? Justin Lemkul
[gmx-users] Fractional charge for protein after topology preparation Justin Lemkul
[gmx-users] on gmx make_ndx Justin Lemkul
[gmx-users] confusion on NPT MD simulation Justin Lemkul
[gmx-users] cut-off Justin Lemkul
[gmx-users] cut-off Justin Lemkul
[gmx-users] polarisable force field in Gromacs? Justin Lemkul
[gmx-users] on gmx make_ndx Justin Lemkul
[gmx-users] CHARMM Pulling LINCS Error Justin Lemkul
[gmx-users] temperature problem Justin Lemkul
[gmx-users] membrane model Justin Lemkul
[gmx-users] membrane model Justin Lemkul
[gmx-users] Building a Larger Liquid Phase - Truncate 'Vacuum' Justin Lemkul
[gmx-users] "Floating point exception" for g_rms Justin Lemkul
[gmx-users] Floating point exception(core dumped) still happen when running a serial job Justin Lemkul
[gmx-users] Help me with energy groups please. Justin Lemkul
[gmx-users] gas phase force field Justin Lemkul
[gmx-users] Free energy calculation Justin Lemkul
[gmx-users] Free energy calculation Justin Lemkul
[gmx-users] temperature problem Justin Lemkul
[gmx-users] gas phase force field Justin Lemkul
[gmx-users] Get pdb2gmx not to treat the first nucleotide in a chain as 5' Justin Lemkul
[gmx-users] Re; .xtc and .trr file is missing Justin Lemkul
[gmx-users] gas phase force field Justin Lemkul
[gmx-users] Protein-DNA simulation LINKS error Justin Lemkul
[gmx-users] constraint pull code / gromacs 5.0.4 Justin Lemkul
[gmx-users] The pullf.xvg and pullx.xvg files Justin Lemkul
[gmx-users] constraint pull code / gromacs 5.0.4 Justin Lemkul
[gmx-users] Protein-DNA simulation LINKS error Justin Lemkul
[gmx-users] temperature problem Justin Lemkul
[gmx-users] Umbrella Sampling problem Justin Lemkul
[gmx-users] Swissparam itp file Justin Lemkul
[gmx-users] Protein-DNA simulation LINKS error Justin Lemkul
[gmx-users] Fwd: i want to use water_detetor.pl script Justin Lemkul
[gmx-users] The pullf.xvg and pullx.xvg files Justin Lemkul
[gmx-users] GROMOS Force Field Justin Lemkul
[gmx-users] Simulation of polarizable Carbon nanotubes Justin Lemkul
[gmx-users] Protein-DNA simulation LINKS error Justin Lemkul
[gmx-users] Building a Larger Liquid Phase - Truncate 'Vacuum' Justin Lemkul
[gmx-users] Fwd: i want to use water_detetor.pl script Justin Lemkul
[gmx-users] Simulation of polarizable Carbon nanotubes Justin Lemkul
[gmx-users] Energy minimisation goes to several values Justin Lemkul
[gmx-users] error gcq#360 Justin Lemkul
[gmx-users] The pullf.xvg and pullx.xvg files Justin Lemkul
[gmx-users] Energy minimisation goes to several values Justin Lemkul
[gmx-users] pretty large coulomb contribution to free energy Justin Lemkul
[gmx-users] counting the number of water molecules surrounding proteins Justin Lemkul
[gmx-users] energy minimization error Justin Lemkul
[gmx-users] pretty large coulomb contribution to free energy Justin Lemkul
[gmx-users] energy minimization error Justin Lemkul
[gmx-users] Free energy calculation for aminoacids Justin Lemkul
[gmx-users] Biphasic Systems for BSA Justin Lemkul
[gmx-users] Biphasic Systems for BSA Justin Lemkul
[gmx-users] Biphasic Systems for BSA Justin Lemkul
[gmx-users] (no subject) Justin Lemkul
[gmx-users] Doubt on membrane patch Justin Lemkul
[gmx-users] Invalid full precision file format Justin Lemkul
[gmx-users] Problem in .gro file Justin Lemkul
[gmx-users] Problem in .gro file Justin Lemkul
[gmx-users] pH Justin Lemkul
[gmx-users] Problem in .gro file Justin Lemkul
[gmx-users] pH Justin Lemkul
[gmx-users] Simulation of polarizable Carbon nanotubes Justin Lemkul
[gmx-users] Problem in production run Justin Lemkul
[gmx-users] Cyclohexane OPLS-AA topology Justin Lemkul
[gmx-users] Creating custom position restraints for a multi-chain protein Justin Lemkul
[gmx-users] Gay-Berne potential in GROMACS Zhenhai Li
[gmx-users] Umbrella Sampling problem Lin
[gmx-users] Hessian Matrix Order Command Line
[gmx-users] [pairs] func type 2 Hannes Loeffler
[gmx-users] energy minimization error James Lord
[gmx-users] energy minimization error James Lord
[gmx-users] Biphasic Systems for BSA James Lord
[gmx-users] Biphasic Systems for BSA James Lord
[gmx-users] Biphasic Systems for BSA James Lord
[gmx-users] Biphasic Systems for BSA James Lord
[gmx-users] Problem with mdrun on 8CPUs and 1GPU for gromacs 4.6.3 Kirill Lykov
[gmx-users] Adding a substrate into protein-lipid bilayer system MPI
[gmx-users] Adding a substrate into protein-lipid bilayer system MPI
[gmx-users] Adding a substrate into protein-lipid bilayer system MPI
[gmx-users] VMD Visulazation Victor Ma
[gmx-users] VMD Visulazation Victor Ma
[gmx-users] how to turn on constraints in CHARMM-GUI generated Gromacs setup? Victor Ma
[gmx-users] how to turn on constraints in CHARMM-GUI generated Gromacs setup? Victor Ma
[gmx-users] Volume of active site Erik Marklund
[gmx-users] Volume of active site Erik Marklund
[gmx-users] calculation of total no of hydrogen bond present in the system Erik Marklund
[gmx-users] Protein-DNA simulation LINKS error Erik Marklund
[gmx-users] Protein-DNA simulation LINKS error Erik Marklund
[gmx-users] Protein-DNA simulation LINKS error Erik Marklund
[gmx-users] calculation of total no of hydrogen bond present in the system Erik Marklund
[gmx-users] pH Erik Marklund
[gmx-users] xeon phi make fails Sikandar Mashayak
[gmx-users] Free energy calculation for aminoacids Marzieh Saeedi Masineh
[gmx-users] Free energy calculation for aminoacids Marzieh Saeedi Masineh
[gmx-users] Adding a substrate into protein-lipid bilayer system Ebert Maximilian
[gmx-users] Water organic solvents mixtures: Which force field to use and best practice to derive parameters Ebert Maximilian
[gmx-users] trjcat issue Ebert Maximilian
[gmx-users] Volume of active site Ebert Maximilian
[gmx-users] VMD Visulazation Ebert Maximilian
[gmx-users] Looking for FF parameters for bivalent metals and oxoguanine Ebert Maximilian
[gmx-users] Questions about the topology file format Ebert Maximilian
[gmx-users] error group protein not found Ebert Maximilian
[gmx-users] Water organic solvents mixtures: Which force field to use and best practice to derive parameters Ebert Maximilian
[gmx-users] Is gromacs tutorial website down? Ebert Maximilian
[gmx-users] OPLS definition of Phenyl palmitate Ebert Maximilian
[gmx-users] OPLS definition of Phenyl palmitate Ebert Maximilian
[gmx-users] Pressure Coupling in GROMACS Ebert Maximilian
[gmx-users] OPLS definition of Phenyl palmitate Ebert Maximilian
[gmx-users] OPLS definition of Phenyl palmitate Ebert Maximilian
[gmx-users] Performance of NVIDIA GTX980 in PCI-e 3.0 x8 or x16 slots ? David McGiven
[gmx-users] Performance of NVIDIA GTX980 in PCI-e 3.0 x8 or x16 slots ? David McGiven
[gmx-users] Performance of NVIDIA GTX980 in PCI-e 3.0 x8 or x16 slots ? David McGiven
[gmx-users] Number of Compute Nodes in Gromacs Expanded Ensemble Simulations Andreas Mecklenfeld
[gmx-users] REMD mdrun_mpi error Nawel Mele
[gmx-users] REMD mdrun_mpi error Nawel Mele
[gmx-users] Donor acceptor detection Parvez Mh
[gmx-users] installation errors Parvez Mh
[gmx-users] Simulation of polarizable Carbon nanotubes S.M. Golam Mortuza
[gmx-users] Simulation of polarizable Carbon nanotubes S.M. Golam Mortuza
[gmx-users] Simulation of polarizable Carbon nanotubes S.M. Golam Mortuza
[gmx-users] temperature problem Lovika Moudgil
[gmx-users] temperature problem Lovika Moudgil
[gmx-users] temperature problem Lovika Moudgil
[gmx-users] temperature problem Lovika Moudgil
[gmx-users] temperature problem Lovika Moudgil
[gmx-users] temperature problem Lovika Moudgil
[gmx-users] temperature problem Lovika Moudgil
[gmx-users] temperature problem Lovika Moudgil
[gmx-users] temperature problem Lovika Moudgil
[gmx-users] temperature problem Lovika Moudgil
[gmx-users] temperature problem Lovika Moudgil
[gmx-users] Error André Farias de Moura
[gmx-users] Error André Farias de Moura
[gmx-users] Different Cv and Cp André Farias de Moura
[gmx-users] new box types B P
[gmx-users] Hydrophobic interactions. B P
[gmx-users] Query on GPI-anchor proteins Aditya Padhi
[gmx-users] (no subject) Sotirios Dionysios I. Papadatos
[gmx-users] Questions about the topology file format Sotirios Dionysios I. Papadatos
[gmx-users] problem using grompp Sotirios Dionysios I. Papadatos
[gmx-users] problem using grompp Sotirios Dionysios I. Papadatos
[gmx-users] Problem in production run Pavithra
[gmx-users] Problem in production run Pavithra
[gmx-users] Constraints in the villin system Mario Fernández Pendás
[gmx-users] Constraints in the villin system Mario Fernández Pendás
[gmx-users] (no subject) Mario Fernández Pendás
[gmx-users] pH Atila Petrosian
[gmx-users] pH Atila Petrosian
[gmx-users] pH Atila Petrosian
[gmx-users] Tutorial site down Vy Phan
[gmx-users] Center of mass motion removal Vy Phan
[gmx-users] epsilon-r Vy Phan
[gmx-users] Center of mass motion removal Vy Phan
[gmx-users] Center of mass motion removal Vy Phan
[gmx-users] .trr file Vy Phan
[gmx-users] membrane model Thomas Piggot
[gmx-users] membrane model Thomas Piggot
[gmx-users] entropy of water Faezeh Pousaneh
[gmx-users] g_covar Faezeh Pousaneh
[gmx-users] energy between different groups Faezeh Pousaneh
[gmx-users] Different Cv and Cp Faezeh Pousaneh
[gmx-users] Different Cv and Cp Faezeh Pousaneh
[gmx-users] Different Cv and Cp Faezeh Pousaneh
[gmx-users] Different Cv and Cp Faezeh Pousaneh
[gmx-users] Different Cv and Cp Faezeh Pousaneh
[gmx-users] Different Cv and Cp Faezeh Pousaneh
[gmx-users] compressibility Faezeh Pousaneh
[gmx-users] (no subject) Faezeh Pousaneh
[gmx-users] compressibility Faezeh Pousaneh
[gmx-users] cut-off Faezeh Pousaneh
[gmx-users] cut-off Faezeh Pousaneh
[gmx-users] cut-off Faezeh Pousaneh
[gmx-users] Different Cv and Cp Faezeh Pousaneh
[gmx-users] cut-off Faezeh Pousaneh
[gmx-users] GPU acceleration Szilárd Páll
[gmx-users] GPU acceleration Szilárd Páll
[gmx-users] GPU acceleration Szilárd Páll
[gmx-users] GPU acceleration Szilárd Páll
[gmx-users] GPU acceleration Szilárd Páll
[gmx-users] GPU acceleration Szilárd Páll
[gmx-users] GPU acceleration Szilárd Páll
[gmx-users] Vacuum simulation in Gromacs 5 Szilárd Páll
[gmx-users] Performance of NVIDIA GTX980 in PCI-e 3.0 x8 or x16 slots ? Szilárd Páll
[gmx-users] Performance of NVIDIA GTX980 in PCI-e 3.0 x8 or x16 slots ? Szilárd Páll
[gmx-users] Gromacs on a Power8 machine Szilárd Páll
[gmx-users] Gromacs on a Power8 machine Szilárd Páll
[gmx-users] Dynamic updating of nstlist in gromacs 5 screws up simulation results Szilárd Páll
[gmx-users] Dynamic updating of nstlist in gromacs 5 screws up simulation results Szilárd Páll
[gmx-users] OpenMPI version 1.2.8 Szilárd Páll
[gmx-users] OpenMPI version 1.2.8 Szilárd Páll
[gmx-users] GPU and aux power supply Szilárd Páll
[gmx-users] how to configure PBS for GPU workstation for Gromacs? Szilárd Páll
[gmx-users] GPU and aux power supply Szilárd Páll
[gmx-users] GPU and aux power supply Szilárd Páll
[gmx-users] Free energy, domain decomposition and gmx 465 v 505 Gmx QA
[gmx-users] (no subject) MOHD HOMAIDUR RAHMAN
[gmx-users] calculation of total no of hydrogen bond present in the system MOHD HOMAIDUR RAHMAN
[gmx-users] calculation of total no of hydrogen bond present in the system MOHD HOMAIDUR RAHMAN
[gmx-users] .xtc and .trr file is missing RJ
[gmx-users] Re; .xtc and .trr file is missing RJ
[gmx-users] nvt equilibration; error Ray, Bruce D
[gmx-users] Viscosity calculation using g_tcaf Venkat Reddy
[gmx-users] interval simulation Golnaz Roudsari
[gmx-users] download problem Nima Sa
[gmx-users] download problem Nima Sa
[gmx-users] download problem Nima Sa
[gmx-users] Unable to download GROMACS 5.x series Nima Sa
[gmx-users] download problem Nima Sa
[gmx-users] download problem Nima Sa
[gmx-users] Fwd: i want to use water_detetor.pl script Mahboobe Sadr
[gmx-users] Fwd: i want to use water_detetor.pl script Mahboobe Sadr
[gmx-users] Fwd: i want to use water_detetor.pl script Mahboobe Sadr
[gmx-users] Fwd: i want to use water_detetor.pl script Mahboobe Sadr
[gmx-users] Configuration bug preventing GROMACS 5.0 build with Intel compiler? Åke Sandgren
[gmx-users] GMX_LARGEFILES looks ignored in cmake of gromacs-5.0.5 Roland Schulz
[gmx-users] Crash of DD with periodic_molecules Semen
[gmx-users] Crash of DD with periodic_molecules Semen
[gmx-users] VOlume of box Anik Sen
[gmx-users] Different Cv and Cp Michael Shirts
[gmx-users] Different Cv and Cp Michael Shirts
[gmx-users] Different Cv and Cp Michael Shirts
[gmx-users] compressibility Michael Shirts
[gmx-users] Number of Compute Nodes in Gromacs Expanded Ensemble Simulations Michael Shirts
[gmx-users] md-vv and md Michael Shirts
[gmx-users] MD Sim stopped at 14 Ns Dhanachandra Singh
[gmx-users] problem to restart REMD Smith, Micholas D.
[gmx-users] which file to use to analyze trajectory using code Eric Smoll
[gmx-users] g_rdf: normalize by density Archana Sonawani-Jagtap
[gmx-users] Microwave David van der Spoel
[gmx-users] why gromacs cannot repeat out the results? David van der Spoel
[gmx-users] Vacuum simulation in Gromacs 5 David van der Spoel
[gmx-users] Different Cv and Cp David van der Spoel
[gmx-users] cut-off David van der Spoel
[gmx-users] Problem in calculating solvation free energy estimates with gmx sasa -odg David van der Spoel
[gmx-users] Does Gromacs take advantage of ECC memory? David van der Spoel
[gmx-users] Help me with energy groups please. Dan Sponseller
[gmx-users] Get pdb2gmx not to treat the first nucleotide in a chain as 5' Peter Stern
[gmx-users] Get pdb2gmx not to treat the first nucleotide in a chain as 5' Peter Stern
[gmx-users] Does Gromacs take advantage of ECC memory? Peter Stern
[gmx-users] Invalid full precision file format Peter Stern
[gmx-users] Invalid full precision file format Peter Stern
[gmx-users] which file to use to analyze trajectory using code Oliver Stueker
[gmx-users] Unable to download GROMACS 5.x series Téletchéa Stéphane
[gmx-users] files related to commands in C or FORTRAN Téletchéa Stéphane
[gmx-users] membrane model Piggot T.
[gmx-users] confusion on NPT MD simulation Ming Tang
[gmx-users] does gromos force field support implicit solvent? Ming Tang
[gmx-users] fix COM of a group Ming Tang
[gmx-users] fix COM of a group Ming Tang
[gmx-users] fix COM of a group Ming Tang
[gmx-users] g_helix issue Ming Tang
[gmx-users] gmx distance Ming Tang
[gmx-users] gmx distance Ming Tang
[gmx-users] extending SMD simulation Ming Tang
[gmx-users] gmx distance Ming Tang
[gmx-users] gmx distance Ming Tang
[gmx-users] g_wham error in umbrella simulation Ming Tang
[gmx-users] confusion on NPT MD simulation Ming Tang
[gmx-users] confusion on NPT MD simulation Ming Tang
[gmx-users] confusion on NPT MD simulation Ming Tang
[gmx-users] confusion on NPT MD simulation Ming Tang
[gmx-users] confusion on NPT MD simulation Ming Tang
[gmx-users] confusion on NPT MD simulation Ming Tang
[gmx-users] how to define wall-atomtype? Ming Tang
[gmx-users] lost particles wile sorting Ming Tang
[gmx-users] joining line in rms Terry
[gmx-users] Problem in calculating solvation free energy estimates with gmx sasa -odg Fabian Thielemann
[gmx-users] The pullf.xvg and pullx.xvg files Laura Tociu
[gmx-users] The pullf.xvg and pullx.xvg files Laura Tociu
[gmx-users] The pullf.xvg and pullx.xvg files Laura Tociu
[gmx-users] The pullf.xvg and pullx.xvg files Laura Tociu
[gmx-users] Looking for FF parameters for bivalent metals and oxoguanine Timofey Tyugashev
[gmx-users] Protein-DNA simulation LINKS error Timofey Tyugashev
[gmx-users] Protein-DNA simulation LINKS error Timofey Tyugashev
[gmx-users] Protein-DNA simulation LINKS error Timofey Tyugashev
[gmx-users] Protein-DNA simulation LINKS error Timofey Tyugashev
[gmx-users] Protein-DNA simulation LINKS error Timofey Tyugashev
[gmx-users] error gcq#360 Urszula Uciechowska
[gmx-users] Usage of g_spatial V.V.Chaban
[gmx-users] Time for calculating free energy V.V.Chaban
[gmx-users] Vacuum simulation in Gromacs 5 V.V.Chaban
[gmx-users] Vacuum simulation in Gromacs 5 V.V.Chaban
[gmx-users] confusion on NPT MD simulation V.V.Chaban
[gmx-users] Explicit Hydrogen LJ param V.V.Chaban
[gmx-users] Deformation of bio-polymer V.V.Chaban
[gmx-users] how can we merge SOL into protein.itp? V.V.Chaban
[gmx-users] gas phase force field V.V.Chaban
[gmx-users] gas phase force field V.V.Chaban
[gmx-users] filling a mesopore with water V.V.Chaban
[gmx-users] gas phase force field V.V.Chaban
[gmx-users] free energy binding problem Daniele Veclani
[gmx-users] free energy binding Daniele Veclani
[gmx-users] free energy binding Daniele Veclani
[gmx-users] Unit of electric field in gromacs Man Hoang Viet
[gmx-users] g_hbond on trajectory Jennifer Vo
[gmx-users] g_hbond on trajectory Jennifer Vo
[gmx-users] water in bulk Jennifer Vo
[gmx-users] water in bulk Jennifer Vo
[gmx-users] Performance of NVIDIA GTX980 in PCI-e 3.0 x8 or x16 slots ? Mirco Wahab
[gmx-users] Performance of NVIDIA GTX980 in PCI-e 3.0 x8 or x16 slots ? Mirco Wahab
[gmx-users] Center of mass motion removal Tsjerk Wassenaar
[gmx-users] Center of mass motion removal Tsjerk Wassenaar
[gmx-users] fix COM of a group Tsjerk Wassenaar
[gmx-users] fix COM of a group Tsjerk Wassenaar
[gmx-users] URGENT query regarding pbc = no in grompp in membrane simulations Tsjerk Wassenaar
[gmx-users] Problem in energy minimization Tsjerk Wassenaar
[gmx-users] how to superimpose protein in frames? Tsjerk Wassenaar
[gmx-users] confusion on NPT MD simulation Tsjerk Wassenaar
[gmx-users] .xtc and .trr file is missing Tsjerk Wassenaar
[gmx-users] Hessian Matrix Order Tsjerk Wassenaar
[gmx-users] Biphasic Systems for BSA Tsjerk Wassenaar
[gmx-users] VOlume of box Tsjerk Wassenaar
[gmx-users] pdb2gmx compiled with MinGW on WindowsPC Makoto Yoneya
[gmx-users] GMX_LARGEFILES looks ignored in cmake of gromacs-5.0.5 Makoto Yoneya
[gmx-users] GMX_LARGEFILES looks ignored in cmake of gromacs-5.0.5 Makoto Yoneya
[gmx-users] GMX_LARGEFILES looks ignored in cmake of gromacs-5.0.5 Makoto Yoneya
[gmx-users] pretty large coulomb contribution to free energy Ahmet Yıldırım
[gmx-users] pretty large coulomb contribution to free energy Ahmet Yıldırım
[gmx-users] Two strange problems when using GPU on multiple nodes Mark Zang
[gmx-users] Two strange problems when using GPU on multiple nodes Mark Zang
[gmx-users] Invalid command line argument Poncho Arvayo Zatarain
[gmx-users] g_dist tools Poncho Arvayo Zatarain
[gmx-users] gmx distance Poncho Arvayo Zatarain
[gmx-users] Extending simulation not work: always re-start from the beginning Zhang, Cheng
[gmx-users] Syntax to use "gmx convert-tpr" Zhang, Cheng
[gmx-users] "Floating point exception" for g_rms Zhang, Cheng
[gmx-users] Floating point exception(core dumped) still happen when running a serial job Zhang, Cheng
[gmx-users] “gmx check" shows "Floating point exception(core dumped)" for .xtc file Zhang, Cheng
[gmx-users] error group protein not found Jin Zhang
[gmx-users] nvt equilibration Jin Zhang
[gmx-users] How can I use template.c to calculate single point energy? Zidan Zhang
[gmx-users] (no subject) masoud aliyar
[gmx-users] oriientation angle of protein at interface mahreen arooj
[gmx-users] oriientation angle of protein at interface mahreen arooj
[gmx-users] oriientation angle of protein at interface mahreen arooj
[gmx-users] specbond files faride badalkhani
[gmx-users] Saving Changes in FF files faride badalkhani
[gmx-users] Saving Changes in FF files faride badalkhani
[gmx-users] Problem in .gro file faride badalkhani
[gmx-users] Problem in .gro file faride badalkhani
[gmx-users] Problem in .gro file faride badalkhani
[gmx-users] Swissparam itp file neha bharti
[gmx-users] Clustering energy minimized equally space frames ashish bihani
[gmx-users] Clustering energy minimized equally space frames ashish bihani
[gmx-users] membrane model anu chandra
[gmx-users] membrane model anu chandra
[gmx-users] membrane model anu chandra
[gmx-users] (no subject) rajan kumar choudhary
[gmx-users] Displacements of the components of the proteinn residue wise for the first eigenvector rajan kumar choudhary
[gmx-users] error group protein not found marzieh dehghan
[gmx-users] nvt equilibration marzieh dehghan
[gmx-users] nvt equilibration: error marzieh dehghan
[gmx-users] nvt equilibration; error marzieh dehghan
[gmx-users] All bulk is moving during Umbrella sampling gozde ergin
[gmx-users] All bulk is moving during Umbrella sampling gozde ergin
[gmx-users] All bulk is moving during Umbrella sampling gozde ergin
[gmx-users] energy groups definition gozde ergin
[gmx-users] energy groups definition gozde ergin
[gmx-users] Potential Energy-Umbrella sampling gozde ergin
[gmx-users] Potential Energy-Umbrella sampling gozde ergin
[gmx-users] Potential Energy-Umbrella sampling gozde ergin
[gmx-users] Potential Energy-Umbrella sampling gozde ergin
[gmx-users] Surface tension calculation and counting number of interfacial molecules gozde ergin
[gmx-users] md-vv and md gozde ergin
[gmx-users] md-vv and md gozde ergin
[gmx-users] md-vv and md gozde ergin
[gmx-users] energy minimization problem soumadwip ghosh
[gmx-users] energy minimization problem soumadwip ghosh
[gmx-users] energy minimization problem soumadwip ghosh
[gmx-users] energy minimization problem soumadwip ghosh
[gmx-users] fullerene crashes during energy minimization soumadwip ghosh
[gmx-users] temperature problem soumadwip ghosh
[gmx-users] nvt equilibration soumadwip ghosh
[gmx-users] Using g_spatial soumadwip ghosh
[gmx-users] Using g_spatial soumadwip ghosh
[gmx-users] SwissParam itp files soumadwip ghosh
[gmx-users] SwissParam itp files soumadwip ghosh
[gmx-users] regarding topology soumadwip ghosh
[gmx-users] Regarding SwissParam topology soumadwip ghosh
[gmx-users] regarding SwissParam topology soumadwip ghosh
[gmx-users] Ion binding to DNA soumadwip ghosh
[gmx-users] About g_helix soumadwip ghosh
[gmx-users] About g_helix soumadwip ghosh
[gmx-users] interval simulation soumadwip ghosh
[gmx-users] Error in volume coupling, no domain decomposition soumadwip ghosh
[gmx-users] VOlume of box soumadwip ghosh
[gmx-users] Doubt on membrane patch vijayakumar gosu
[gmx-users] Time for calculating free energy nazli kashani javid
[gmx-users] Free energy calculation nazli kashani javid
[gmx-users] Free energy calculation nazli kashani javid
[gmx-users] Free energy calculation nazli kashani javid
[gmx-users] counting the number of water molecules surrounding proteins sang eun jee
[gmx-users] Problem with gmx distance Asmaa El khodary
[gmx-users] Error chitrala kumaraswamynaidu
[gmx-users] Error chitrala kumaraswamynaidu
[gmx-users] Error chitrala kumaraswamynaidu
[gmx-users] REMD with different structures ruchi lohia
[gmx-users] apply restraints between CoM similar to distance restraints nahren manuel
[gmx-users] files related to commands in C or FORTRAN mah maz
[gmx-users] files related to commands in C or FORTRAN mah maz
[gmx-users] files related to commands in C or FORTRAN mah maz
[gmx-users] .mdp parameters source codes mah maz
[gmx-users] .mdp parameters source codes mah maz
[gmx-users] installation errors mah maz
[gmx-users] installation errors mah maz
[gmx-users] installation errors mah maz
[gmx-users] URGENT query regarding pbc = no in grompp in membrane simulations Antara mazumdar
[gmx-users] Fwd: i want to use water_detetor.pl script A. mohammadzadeh
[gmx-users] Deformation of bio-polymer mohammad mostafa
[gmx-users] Problems installing gromacs 5.0.4 with plumed 2.1.2 for MPI jkrieger at mrc-lmb.cam.ac.uk
[gmx-users] Problems installing gromacs 5.0.4 with plumed 2.1.2 for MPI jkrieger at mrc-lmb.cam.ac.uk
[gmx-users] Problems installing gromacs 5.0.4 with plumed 2.1.2 for MPI jkrieger at mrc-lmb.cam.ac.uk
[gmx-users] Problems installing gromacs 5.0.4 with plumed 2.1.2 for MPI jkrieger at mrc-lmb.cam.ac.uk
[gmx-users] Problems installing gromacs 5.0.4 with plumed 2.1.2 for MPI jkrieger at mrc-lmb.cam.ac.uk
[gmx-users] Problems installing gromacs 5.0.4 with plumed 2.1.2 for MPI jkrieger at mrc-lmb.cam.ac.uk
[gmx-users] Problems installing gromacs 5.0.4 with plumed 2.1.2 for MPI jkrieger at mrc-lmb.cam.ac.uk
[gmx-users] Problems installing gromacs 5.0.4 with plumed 2.1.2 for MPI jkrieger at mrc-lmb.cam.ac.uk
[gmx-users] Problems installing gromacs 5.0.4 with plumed 2.1.2 for MPI jkrieger at mrc-lmb.cam.ac.uk
[gmx-users] Problems installing gromacs 5.0.4 with plumed 2.1.2 for MPI jkrieger at mrc-lmb.cam.ac.uk
[gmx-users] Problems installing gromacs 5.0.4 with plumed 2.1.2 for MPI jkrieger at mrc-lmb.cam.ac.uk
[gmx-users] Problems installing gromacs 5.0.4 with plumed 2.1.2 for MPI jkrieger at mrc-lmb.cam.ac.uk
[gmx-users] Implicit Solvent Gromacs 4.5.5, LINC errors in pulling simulations mhabibi at phas.ubc.ca
[gmx-users] Implicit Solvent Gromacs 4.5.5, LINC errors in pulling simulations mhabibi at phas.ubc.ca
[gmx-users] MD Sim stopped at 14 Ns salam pradeep
[gmx-users] MD Sim stopped at 14 Ns salam pradeep
[gmx-users] Fatal error: You selected groups with differen number of atoms. gromacs query
[gmx-users] Fatal error: You selected groups with differen number of atoms. gromacs query
[gmx-users] problem to restart REMD leila salimi
[gmx-users] problem to restart REMD leila salimi
[gmx-users] problem to restart REMD leila salimi
[gmx-users] problem to restart REMD leila salimi
[gmx-users] problem to restart REMD leila salimi
[gmx-users] problem to restart REMD leila salimi
[gmx-users] problem to restart REMD leila salimi
[gmx-users] problem to restart REMD leila salimi
[gmx-users] problem to restart REMD leila salimi
[gmx-users] 회신: Re: counting the number of water molecules surrounding proteins sangeunjee
[gmx-users] System Problem su
[gmx-users] System Problem su
[gmx-users] end to end relative rotation of DNA tm651209
[gmx-users] fullerene crashes during energy minimization Rahul verma
[gmx-users] Error in volume coupling, no domain decomposition shabana yasmeen
[gmx-users] About Pulling code in Gromacs 5.0.2 hang yin
[gmx-users] About Pulling code in Gromacs 5.0.2 hang yin
[gmx-users] bend angles of a kink motif h.alizadeh at znu.ac.ir
[gmx-users] Hi محمد گره گشا
[gmx-users] gromacs.org_gmx-users Digest, Vol 134, Issue 45 محمد گره گشا
[gmx-users] energygrps too many, more than 100 energy table 张海平
[gmx-users] energygrps too many, more than 100 energy table 张海平
[gmx-users] How can I use template.c to calculate single point energy? 张紫丹
[gmx-users] Is gromacs tutorial website down? 朱文鹏
[gmx-users] Radius of gyration 独角仙
[gmx-users] pdb2gmx compiled with MinGW on WindowsPC 米谷慎
[gmx-users] why gromacs cannot repeat out the results? 范聪

Last message date: Tue Jun 30 23:57:19 CEST 2015
Archived on: Tue Jun 30 23:57:21 CEST 2015

Messages sorted by: [ thread ] [ subject ] [ date ]
More info on this list...

This archive was generated by Pipermail 0.09 (Mailman edition).