October 2010 Archives by subject

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Starting: Fri Oct 1 00:52:36 CEST 2010
Ending: Sun Oct 31 23:27:48 CET 2010
Messages: 911

[gmx-users] (no subject) Nilesh Dhumal
[gmx-users] (no subject) Nilesh Dhumal
[gmx-users] (no subject) Mark Abraham
[gmx-users] (no subject) Nilesh Dhumal
[gmx-users] (no subject) Justin A. Lemkul
[gmx-users] (no subject) Mark Abraham
[gmx-users] (no subject) C Johnson
[gmx-users] (no subject) Nilesh Dhumal
[gmx-users] (no subject) Nilesh Dhumal
[gmx-users] (no subject) Mark Abraham
[gmx-users] (no subject) Nilesh Dhumal
[gmx-users] (no subject) Mark Abraham
[gmx-users] (no subject) Nilesh Dhumal
[gmx-users] (no subject) Mark Abraham
[gmx-users] -pbc nojump leila karami
[gmx-users] -pbc nojump Mark Abraham
[gmx-users] -pbc nojump leila karami
[gmx-users] -pbc nojump Mark Abraham
[gmx-users] -pbc nojump leila karami
[gmx-users] -pbc nojump Mark Abraham
[gmx-users] -pbc nojump shahab shariati
[gmx-users] -pbc nojump Mark Abraham
[gmx-users] Re: [gmx-developers] More than one settle type Justin A. Lemkul
[gmx-users] Re: [gmx-developers] Simulations on GPU Szilárd Páll
[gmx-users] Re: [gmx-developers] Simulations on GPU Szilárd Páll
[gmx-users] A simple question Xiaoling Leng
[gmx-users] A simple question Mark Abraham
[gmx-users] A very strange problem about version of pdb2gmx 英雄不再寂寞
[gmx-users] A very strange problem about version of pdb2gmx Justin A. Lemkul
[gmx-users] about COM pulling and g_dist zhongjin
[gmx-users] about COM pulling and g_dist chris.neale at utoronto.ca
[gmx-users] about COM pulling and g_dist zhongjin
[gmx-users] about COM pulling and g_dist zhongjin
[gmx-users] about COM pulling and g_dist zhongjin
[gmx-users] about COM pulling and g_dist chris.neale at utoronto.ca
[gmx-users] about sa_surface_tension Christian Mücksch
[gmx-users] about sa_surface_tension Per Larsson
[gmx-users] About the charge Anil Mhashal
[gmx-users] Re: About the charge Vitaly Chaban
[gmx-users] Re: About the charge Mark Abraham
[gmx-users] About Zn paramter babu gokul
[gmx-users] About Zn paramter Justin A. Lemkul
[gmx-users] absolute reference for pulling and center of mass removal Bert
[gmx-users] absolute reference for pulling and center of mass removal chris.neale at utoronto.ca
[gmx-users] AFM/COM Pulling differences? C Johnson
[gmx-users] AFM/COM Pulling differences? Justin A. Lemkul
[gmx-users] AFM/COM Pulling differences? C Johnson
[gmx-users] AFM/COM Pulling differences? Justin A. Lemkul
[gmx-users] AFM/COM Pulling differences? chris.neale at utoronto.ca
[gmx-users] amb2gmx.pl script ignores negative values of PK? Andrei Neamtu
[gmx-users] Re: Amber to gromacs topology conversion for non-amino acid Justin A. Lemkul
[gmx-users] Amber-GS-S force field in Gromacs 4.5.1 Lutz Maibaum
[gmx-users] an example to test mdrun-gpu x mdrun Szilárd Páll
[gmx-users] analysis mohsen ramezanpour
[gmx-users] analysis Justin A. Lemkul
[gmx-users] analysis mohsen ramezanpour
[gmx-users] Another error that keeps comming up. Roland Schulz
[gmx-users] Another error that keeps comming up. TJ Mustard
Antw: [gmx-users] free energy decomposition Emanuel Peter
[gmx-users] Backing up trajectories Esztermann, Ansgar
[gmx-users] best parameters for energy determination with GBSA Ehud Schreiber
[gmx-users] best parameters for energy determination with GBSA Per Larsson
[gmx-users] Can I customize Gromacs (e.g., on-fly-analysis) with multi-threading enabled? 吴鹏
[gmx-users] Can I customize Gromacs (e.g., on-fly-analysis) with multi-threading enabled? Mark Abraham
[gmx-users] Can I customize Gromacs (e.g., on-fly-analysis) with multi-threading enabled? 吴鹏
[gmx-users] Center of Mass removal in a specified direction Bert
[gmx-users] Center of Mass removal in a specified direction Sander Pronk
[gmx-users] charmm c36 lipids Pär Bjelkmar
[gmx-users] charmm c36 lipids Thomas Piggot
[gmx-users] charmm c36 lipids Pär Bjelkmar
[gmx-users] charmm c36 lipids Nicolas SAPAY
[gmx-users] charmm c36 lipids Thomas Piggot
[gmx-users] charmm c36 lipids Pär Bjelkmar
[gmx-users] charmm tip5p in Gmx 4.5.2 Yao Yao
[gmx-users] charmm tip5p in Gmx 4.5.2 Yao Yao
[gmx-users] charmm tip5p in Gmx 4.5.2 Szilárd Páll
[gmx-users] charmm tip5p in Gmx 4.5.2 Berk Hess
[gmx-users] charmm tip5p in Gmx 4.5.X Yao Yao
[gmx-users] charmm tip5p in Gmx 4.5.X Justin A. Lemkul
[gmx-users] Charmm27 parameterization problems in GMX 4.5.1 Christian Seifert
[gmx-users] Charmm27 parameterization problems in GMX 4.5.1 Roland Schulz
[gmx-users] Charmm27 parameterization problems in GMX 4.5.1 Christian Seifert
[gmx-users] CHARMM36 Force Field Thomas Piggot
[gmx-users] Charmm36 in Gromacs: missing dihedrals Li Jianguo
[gmx-users] Charmm36 in Gromacs: missing dihedrals Thomas Piggot
[gmx-users] CHARMM36 lipid bilayers Sven Jakobtorweihen
[gmx-users] CHARMM36 lipid bilayers Berk Hess
[gmx-users] CHARMM36 lipid bilayers Sven Jakobtorweihen
[gmx-users] CHARMM36 lipid bilayers Thomas Piggot
[gmx-users] CHARMM36 lipid bilayers Berk Hess
[gmx-users] CHARMM36 lipid bilayers Sven Jakobtorweihen
[gmx-users] CHARMM36 lipid bilayers Thomas Piggot
[gmx-users] CHARMM36 lipid bilayers Pär Bjelkmar
[gmx-users] CHARMM36 lipid bilayers Thomas Piggot
[gmx-users] CHARMM36 lipid bilayers Sven Jakobtorweihen
[gmx-users] cholesterol #ZHAO LINA#
[gmx-users] cholesterol Justin A. Lemkul
[gmx-users] cholesterol #ZHAO LINA#
[gmx-users] cholesterol Justin A. Lemkul
[gmx-users] cholesterol #ZHAO LINA#
[gmx-users] cholesterol Thomas Piggot
[gmx-users] cholesterol #ZHAO LINA#
[gmx-users] COM Pulling Ariel Alvarez
[gmx-users] COM Pulling - Single Chain C Johnson
[gmx-users] COM Pulling - Single Chain chris.neale at utoronto.ca
[gmx-users] COM Pulling - Single Chain Warren Gallin
[gmx-users] COM Pulling - Single Chain Chris Neale
[gmx-users] COM pulling - speptide C Johnson
[gmx-users] COM pulling - speptide Justin A. Lemkul
[gmx-users] COM pulling - speptide chris.neale at utoronto.ca
[gmx-users] COM pulling - speptide C Johnson
[gmx-users] COM pulling - speptide Justin A. Lemkul
[gmx-users] Re: COM pulling - speptide Thomas Schlesier
[gmx-users] Compiling with ICC: advantages and -if yes- a suitable protocol? (it seems I can't) Mark Abraham
[gmx-users] Compiling with ICC: advantages and -if yes- a suitable protocol? (it seems I can't) ms
[gmx-users] Compiling with ICC: advantages and -if yes- a suitable protocol? (it seems I can't) Mark Abraham
[gmx-users] Compiling with ICC: advantages and -if yes- a suitable protocol? (it seems I can't) ms
[gmx-users] Converting protonated protein with pdb2gmx Deniz KARASU
[gmx-users] Converting protonated protein with pdb2gmx Justin A. Lemkul
[gmx-users] Converting protonated protein with pdb2gmx Deniz KARASU
[gmx-users] coordinate file (PDB file) of cellobiose Hong, Liang
[gmx-users] CT3 terminal Sai Pooja
[gmx-users] CT3 terminal Mark Abraham
[gmx-users] Re: CT3 terminal Pär Bjelkmar
[gmx-users] Re: CT3 terminal Sai Pooja
[gmx-users] defining a 3 body user defined potential Amit Choubey
[gmx-users] defining a 3 body user defined potential Ivan Gladich
[gmx-users] defining a 3 body user defined potential Amit Choubey
[gmx-users] Dihedral energy map along two eigenvectors to actual conformations Ali Naqvi
[gmx-users] Dihedral energy map along two eigenvectors to actual conformations Justin A. Lemkul
[gmx-users] Dihedral energy map along two eigenvectors to actual conformations Ali Naqvi
[gmx-users] Dihedral energy map along two eigenvectors to actual conformations Ali Naqvi
[gmx-users] Dispersion correction in a heterogeneous Mikhail Stukan
[gmx-users] Dispersion correction in a heterogeneous system Mikhail Stukan
[gmx-users] Dispersion correction in a heterogeneous system Berk Hess
[gmx-users] DMSO compressibility Sebastian Waltz
[gmx-users] do_dssp failed to execute Sunita Patel
[gmx-users] do_dssp failed to execute Mark Abraham
[gmx-users] do_dssp failed to execute Sunita Patel
[gmx-users] do_dssp failed to execute Justin A. Lemkul
[gmx-users] do_dssp fatal error Paymon Pirzadeh
[gmx-users] do_dssp fatal error Justin A. Lemkul
[gmx-users] do_dssp fatal error Paymon Pirzadeh
[gmx-users] editconf Paymon Pirzadeh
[gmx-users] editconf Mark Abraham
[gmx-users] editconf Payman Pirzadeh
[gmx-users] editconf Justin A. Lemkul
[gmx-users] editconf Mark Abraham
[gmx-users] editconf Payman Pirzadeh
[gmx-users] eigenvectors in readable format Ramachandran G
[gmx-users] Re: eigenvectors in readable format Ramachandran G
[gmx-users] Re: eigenvectors in readable format Tsjerk Wassenaar
[gmx-users] Re: eigenvectors in readable format Ramachandran G
[gmx-users] Re: eigenvectors in readable format Ramachandran G
[gmx-users] Electrostatic interactions between residues Carla Jamous
[gmx-users] Electrostatic interactions between residues Justin A. Lemkul
[gmx-users] energy group exlusions for frozen structures-use of maxwarn -1? Jennifer Williams
[gmx-users] Energy Minimization Sai Pooja
[gmx-users] Energy Minimization Dallas Warren
[gmx-users] RE: Energy Minimization Ehud Schreiber
[gmx-users] Equilibration of POPC - Lipid molecules jump out of box Justin A. Lemkul
[gmx-users] Equilibration of POPC - Lipid molecules jump out of box NG HUI WEN
[gmx-users] Equilibration of POPC - Lipid molecules jump outof box NG HUI WEN
[gmx-users] Error in trjconv Sai Pooja
[gmx-users] Error in trjconv Justin A. Lemkul
[gmx-users] Error of particles communicated to PME node solved in Version4.5.1 ? Justin A. Lemkul
[gmx-users] Error of particles communicated to PME node solved in Version4.5.1 ? Xu Danial
[gmx-users] Error of particles communicated to PME node solved in Version4.5.1 ? Roland Schulz
[gmx-users] Error on install Gromacs 4 Son Tung Ngo
[gmx-users] Error on install Gromacs 4 Carsten Kutzner
[gmx-users] Extracting potential energy of protein units Jyoti Mahalik
[gmx-users] Extracting potential energy of protein units David van der Spoel
[gmx-users] Re: Extracting potential energy of protein units Jyoti Mahalik
[gmx-users] Re: Extracting potential energy of protein units Justin A. Lemkul
[gmx-users] Fatal error in g_enemat using GMX4.5.1 zhongjin
[gmx-users] FEP Calculation problem on GMX 4.5.1 Marcelo Brandão
[gmx-users] FEP Calculation problem on GMX 4.5.1 TJ Mustard
[gmx-users] FEP Calculation problem on GMX 4.5.1 Justin A. Lemkul
[gmx-users] FEP Calculation problem on GMX 4.5.1 TJ Mustard
[gmx-users] ffamber94 parameters Artur Panczakiewicz
[gmx-users] ffamber94 parameters Mark Abraham
[gmx-users] ffamber94 parameters Berk Hess
[gmx-users] Re: for gromacs Justin A. Lemkul
[gmx-users] force field changes in version 4.5.1 Vlad Isaev
[gmx-users] Force field definitions in 4.0 and 4.5 ms
[gmx-users] Force field definitions in 4.0 and 4.5 Justin A. Lemkul
[gmx-users] Force field definitions in 4.0 and 4.5 ms
[gmx-users] Force-field files location and order of reading in Gromacs 4.5.2 Karel Berka
[gmx-users] Force-field files location and order of reading in Gromacs 4.5.2 Justin A. Lemkul
[gmx-users] Force-field files location and order of reading in Gromacs 4.5.2 Karel Berka
[gmx-users] Force-field files location and order of reading in Gromacs 4.5.2 Justin A. Lemkul
[gmx-users] Force-field files location and order of reading in Gromacs 4.5.2 Krapnik
[gmx-users] Force-field files location and order of reading in Gromacs 4.5.2 Teemu Murtola
[gmx-users] Forcefield parameters Sai Pooja
[gmx-users] Forcefield parameters Justin A. Lemkul
[gmx-users] Forcefield parameters Sai Pooja
[gmx-users] Forcefield parameters Justin A. Lemkul
[gmx-users] Forcefield parameters Sai Pooja
[gmx-users] Forcefield parameters Justin A. Lemkul
[gmx-users] Forcefield parameters Mark Abraham
[gmx-users] Forcefield parameters Sai Pooja
[gmx-users] Forcefield parameters Mark Abraham
[gmx-users] Forcefield parameters Sai Pooja
[gmx-users] Forcefield parameters Justin A. Lemkul
[gmx-users] Forcefield parameters Sai Pooja
[gmx-users] Forcefield parameters Mark Abraham
[gmx-users] forces from trajectory Sikandar Mashayak
[gmx-users] Re: forces from trajectory Sikandar Mashayak
[gmx-users] Re: forces from trajectory Mark Abraham
[gmx-users] Re: forces from trajectory Francesco Oteri
[gmx-users] free energy calculation problem Павел Кудрявцев
[gmx-users] free energy calculation problem Justin A. Lemkul
[gmx-users] Free energy calculations - desolvation energy of Na+ eva.pluharova at marge.uochb.cas.cz
[gmx-users] Free energy calculations - desolvation energy of Na+ Justin A. Lemkul
[gmx-users] Free energy calculations - desolvation energy of Na+ Justin A. Lemkul
[gmx-users] Re: Free energy calculations - desolvation energy of Na+ eva.pluharova at marge.uochb.cas.cz
[gmx-users] free energy decomposition Sanku M
[gmx-users] free energy decomposition Chris Neale
[gmx-users] free energy decomposition David van der Spoel
[gmx-users] free energy decomposition Sanku M
[gmx-users] free energy decomposition Chris Neale
[gmx-users] free energy decomposition[David Van der Spoel] Sanku M
[gmx-users] Fw: last frame in trr Floris Buelens
[gmx-users] Fw: last frame in trr Tsjerk Wassenaar
Fwd: [gmx-users] Hardware-specific crash with 4.5.1 Justin A. Lemkul
[gmx-users] Fwd: -pbc nojump David van der Spoel
[gmx-users] Fwd: -pbc nojump David van der Spoel
[gmx-users] Fwd: -pbc nojump Carsten Kutzner
[gmx-users] Fwd: -pbc nojump leila karami
[gmx-users] Fwd: -pbc nojump Carsten Kutzner
[gmx-users] Fwd: -pbc nojump Tsjerk Wassenaar
[gmx-users] Fwd: -pbc nojump leila karami
[gmx-users] Fwd: -pbc nojump leila karami
[gmx-users] Fwd: -pbc nojump Tsjerk Wassenaar
[gmx-users] Fwd: -pbc nojump leila karami
[gmx-users] Fwd: -pbc nojump Tsjerk Wassenaar
[gmx-users] Fwd: RMSF => still confused ? Tsjerk Wassenaar
[gmx-users] FYI: Fedora packages of Gromacs updated to 4.5.1 Jussi Lehtola
[gmx-users] g_cluster: optimal cutoff Valeria Losasso
[gmx-users] g_cluster: optimal cutoff Valeria Losasso
[gmx-users] g_density options vferrario at units.it
[gmx-users] g_density options Justin A. Lemkul
[gmx-users] g_density options Justin A. Lemkul
[gmx-users] g_density options vferrario at units.it
[gmx-users] g_density options Justin A. Lemkul
[gmx-users] g_density options Mark Abraham
[gmx-users] g_density options Baofu Qiao
[gmx-users] g_densmap time-position-density output Paymon Pirzadeh
[gmx-users] g_dipole ? => Calculate bond dipole moment for a molecule of multiple atoms by hand? Timo M.D. Graen
[gmx-users] g_dipole ? => Calculate bond dipole moment for a molecule of multiple atoms by hand? Chih-Ying Lin
[gmx-users] g_dipole ? => dipole moment => trans-structure is more hydrophobic than the cis-structure ? Chih-Ying Lin
[gmx-users] g_dipole ? => dipole moment ? Chih-Ying Lin
[gmx-users] g_dipole ? => dipole moment ? David van der Spoel
[gmx-users] g_dipole ? => dipole moment ? Florian Dommert
[gmx-users] g_dipole ? => dipole moment ? Chih-Ying Lin
[gmx-users] g_dipole ? => dipole moment ? David van der Spoel
[gmx-users] g_dipole ? => dipole moment ? Chih-Ying Lin
[gmx-users] g_dipole ? => dipole moment ? David van der Spoel
[gmx-users] g_dipole ? => ionic bond => how to determine the direction of ionic bond dipole moment ? Chih-Ying Lin
[gmx-users] g_dipole ? => salt molecule in water => should I include counter ions in my calculation? Chih-Ying Lin
[gmx-users] g_dipole ? => salt molecule in water => what is the the displacement vector pointing from the negative charge to the positive charge? Timo M.D. Graen
[gmx-users] g_dipole ? => salt molecule in water => what is the the displacement vector pointing from the negative charge to the positive charge? Chih-Ying Lin
[gmx-users] g_dipole ? => The salt molecule => The discrepancy of dipole moment between my calculation and GROMACS Tsjerk Wassenaar
[gmx-users] g_dipole ? => The salt molecule => The discrepancy of dipole moment between my calculation and GROMACS Chih-Ying Lin
[gmx-users] g_dipole ? => The salt molecule => The discrepancy of dipole moment between my calculation and GROMACS Chih-Ying Lin
[gmx-users] g_dipole ? => what is the bond length of the ionic bond in the dipole moment calculation? David van der Spoel
[gmx-users] g_dipole ? => what is the bond length of the ionic bond in the dipole moment calculation? Chih-Ying Lin
[gmx-users] g_dipole ? =>salt-molecule => Does Gromacs consider counter ions? Chih-Ying Lin
[gmx-users] g_dipole ? =>salt-molecule => Does Gromacs consider counter ions? David van der Spoel
[gmx-users] g_dipole ? =>salt-molecule => Does Gromacs consider counter ions? Chih-Ying Lin
[gmx-users] g_dipole ? =>salt-molecule => Does Gromacs consider counter ions? Carsten Kutzner
[gmx-users] g_dipole ? =>salt-molecule => Does Gromacs consider counter ions? Florian Dommert
[gmx-users] g_dipole ? =>salt-molecule => the relative position of counter ions to the rest of salt-molecule matters ??? Chih-Ying Lin
[gmx-users] g_gyrate C. Batistakis
[gmx-users] g_gyrate Mark Abraham
[gmx-users] g_gyrate C. Batistakis
[gmx-users] g_gyrate Mark Abraham
[gmx-users] g_h2order for 5 sites water Mikhail Stukan
[gmx-users] g_hbond on concatenated trajectory Carla Jamous
[gmx-users] g_hbond on concatenated trajectory Erik Marklund
[gmx-users] g_hbond on concatenated trajectory Carla Jamous
[gmx-users] g_hbond on concatenated trajectory Erik Marklund
[gmx-users] g_hbond on concatenated trajectory Erik Marklund
[gmx-users] g_hbond on concatenated trajectory Carla Jamous
[gmx-users] g_hbond on concatenated trajectory Erik Marklund
[gmx-users] g_hbond results inconsistent between v4.0.7 and v4.5.1 chris.neale at utoronto.ca
[gmx-users] g_hbond results inconsistent between v4.0.7 and v4.5.1 chris.neale at utoronto.ca
[gmx-users] g_hbond results inconsistent between v4.0.7 and v4.5.1 Erik Marklund
[gmx-users] g_rama: Dihedral not found in topology Lutz Maibaum
[gmx-users] g_rmsf -res => average over time for each residue? Chih-Ying Lin
[gmx-users] g_rmsf -res => average over time for each residue? Tsjerk Wassenaar
[gmx-users] g_rmsf -res => does Gromacs do average over time for each residue ? Justin A. Lemkul
[gmx-users] g_rmsf -res => does Gromacs do average over time for each residue ? Chih-Ying Lin
[gmx-users] g_rmsf -res => what does this function work? Chih-Ying Lin
[gmx-users] g_rmsf -res => what does this function work? Justin A. Lemkul
[gmx-users] g_rmsf -res yes ? => should I type "yes" to activate the "average-function" ? Justin A. Lemkul
[gmx-users] g_rmsf -res yes ? => should I type "yes" to activate the "average-function" ? Chih-Ying Lin
[gmx-users] g_rmsf => average over # of time frames ??? Chih-Ying Lin
[gmx-users] g_rmsf => average over # of time frames ??? Mark Abraham
[gmx-users] g_rmsf => average over # of time frames ??? Tsjerk Wassenaar
[gmx-users] g_velacc problem Eudes Fileti
[gmx-users] g_velacc problem Florian Dommert
[gmx-users] g_velacc problem Eudes Fileti
[gmx-users] g_velacc problem Florian Dommert
[gmx-users] Re: Re: g_velacc problem (Florian Dommert) Eudes Fileti
[gmx-users] Re: Re: g_velacc problem (Florian Dommert) Florian Dommert
[gmx-users] Re: Re: g_velacc problem (Florian Dommert) Florian Dommert
[gmx-users] Re: g_velacc problem (Florian Dommert) Eudes Fileti
[gmx-users] Re: g_velacc problem (Florian Dommert) Florian Dommert
[gmx-users] Re: Re: Re: g_velacc problem (Florian Dommert) Eudes Fileti
[gmx-users] Re: Re: Re: g_velacc problem (Florian Dommert) Florian Dommert
[gmx-users] g_wham: "Pull geometry direction_periodic not supported" Jochen Hub
[gmx-users] genbox solvent addition inhomogeneous? Pim Frederix
[gmx-users] genconf to insert small molecules triclinic unit cell Jennifer Williams
[gmx-users] genconf to insert small molecules triclinic unit cell Justin A. Lemkul
[gmx-users] genconf to insert small molecules triclinic unit cell Justin A. Lemkul
[gmx-users] genconf to insert small molecules triclinic unit cell Jennifer Williams
[gmx-users] genconf to insert small molecules triclinic unit cell Justin A. Lemkul
[gmx-users] Gibbs free energy of binding shahab shariati
[gmx-users] Gibbs free energy of binding Justin A. Lemkul
[gmx-users] Gibbs free energy of binding chris.neale at utoronto.ca
[gmx-users] Gibbs free energy of binding mohsen ramezanpour
[gmx-users] Gibbs free energy of binding Justin A. Lemkul
[gmx-users] Gibbs free energy of binding mohsen ramezanpour
[gmx-users] Gibbs free energy of binding Justin A. Lemkul
[gmx-users] Gibbs free energy of binding mohsen ramezanpour
[gmx-users] Gibbs free energy of binding Sander Pronk
[gmx-users] RE: Gibbs free energy of binding Ehud Schreiber
[gmx-users] RE: Gibbs free energy of binding David van der Spoel
[gmx-users] RE: Gibbs free energy of binding Ran Friedman
[gmx-users] RE: Gibbs free energy of binding Sander Pronk
[gmx-users] RE: Gibbs free energy of binding mohsen ramezanpour
[gmx-users] RE: Gibbs free energy of binding mohsen ramezanpour
[gmx-users] RE: Gibbs free energy of binding Ehud Schreiber
[gmx-users] RE: Gibbs free energy of binding Justin A. Lemkul
[gmx-users] RE: Gibbs free energy of binding chris.neale at utoronto.ca
[gmx-users] RE: Gibbs free energy of binding mohsen ramezanpour
[gmx-users] RE: Gibbs free energy of binding chris.neale at utoronto.ca
[gmx-users] RE: Gibbs free energy of binding mohsen ramezanpour
[gmx-users] Re: gmx-users Digest, Vol 78, Issue 123 Gerrit Groenhof
[gmx-users] Re: gmx-users Digest, Vol 78, Issue 186 eva.pluharova at marge.uochb.cas.cz
[gmx-users] Re: gmx-users Digest, Vol 78, Issue 52 tjmu_hacker at yahoo.com.cn
[gmx-users] GPU slower than I7 Renato Freitas
[gmx-users] GPU slower than I7 Roland Schulz
[gmx-users] GPU slower than I7 Renato Freitas
[gmx-users] GPU slower than I7 Roland Schulz
[gmx-users] GPU slower than I7 Szilárd Páll
[gmx-users] GPU slower than I7 Renato Freitas
[gmx-users] GPU slower than I7 Renato Freitas
[gmx-users] GPU slower than I7 Roland Schulz
[gmx-users] GPU slower than I7 Renato Freitas
[gmx-users] Gromacs 4.5.1 on 48 core magny-cours AMDs Carsten Kutzner
[gmx-users] Gromacs 4.5.1 on 48 core magny-cours AMDs Berk Hess
[gmx-users] Gromacs 4.5.1 on 48 core magny-cours AMDs Sander Pronk
[gmx-users] Gromacs 4.5.1 on 48 core magny-cours AMDs Carsten Kutzner
[gmx-users] Gromacs 4.5.1 on 48 core magny-cours AMDs Sander Pronk
[gmx-users] Gromacs 4.5.1 on 48 core magny-cours AMDs Carsten Kutzner
[gmx-users] Gromacs 4.5.1 on 48 core magny-cours AMDs Sander Pronk
[gmx-users] Gromacs 4.5.1 on 48 core magny-cours AMDs Esztermann, Ansgar
[gmx-users] Gromacs 4.5.1 on 48 core magny-cours AMDs Ondrej Marsalek
[gmx-users] Gromacs 4.5.1 on 48 core magny-cours AMDs Sander Pronk
[gmx-users] gromacs 4.5.1 trjcat error Sikandar Mashayak
[gmx-users] Gromacs benchmarking results vivek sharma
[gmx-users] Gromacs benchmarking results Mark Abraham
[gmx-users] Gromacs benchmarking results David van der Spoel
[gmx-users] Gromacs benchmarking results Igor Leontyev
[gmx-users] Gromacs build error Miah Wadud Dr (ITCS)
[gmx-users] Gromacs build error Esztermann, Ansgar
[gmx-users] Gromacs build error Miah Wadud Dr (ITCS)
[gmx-users] Gromacs build error Esztermann, Ansgar
[gmx-users] Gromacs build error Miah Wadud Dr (ITCS)
[gmx-users] Gromacs build error Ake Sandgren
[gmx-users] gromacs installation problem MoJie Duan
[gmx-users] Gromacs installation problem @ RHEL5.5 server Sathish
[gmx-users] Gromacs installation problem @ RHEL5.5 server Mark Abraham
[gmx-users] Gromacs installation problem @ RHEL5.5 server Sathish
[gmx-users] Gromacs installation problem @ RHEL5.5 server Mark Abraham
[gmx-users] Gromacs installation problem @ RHEL5.5 server Mark Abraham
[gmx-users] Gromacs installation problem @ RHEL5.5 server Sathish
[gmx-users] Gromacs installation problem @ RHEL5.5 server David van der Spoel
[gmx-users] Gromacs installation problem @ RHEL5.5 server Sathish
[gmx-users] Gromacs installation problem @ RHEL5.5 server Justin A. Lemkul
[gmx-users] Gromacs installation problem @ RHEL5.5 server Sathish
[gmx-users] Gromacs installation problem @ RHEL5.5 server Mark Abraham
[gmx-users] Gromacs installation problem @ RHEL5.5 server Sikandar Mashayak
[gmx-users] Gromacs installation problem @ RHEL5.5 server Sathish
[gmx-users] Gromacs installation problem @ RHEL5.5 server Sander Pronk
[gmx-users] Gromacs installation problem @ RHEL5.5 server Sikandar Mashayak
[gmx-users] Gromacs libraries: same for both single and double precision builds? Mark Dixon
[gmx-users] Gromacs opening intern position? S. Mohamadi
[gmx-users] Re: Gromacs problem Justin A. Lemkul
[gmx-users] gromacs synaptic package manager ahmet yıldırım
[gmx-users] gromacs synaptic package manager Justin A. Lemkul
[gmx-users] gromacs synaptic package manager ahmet yıldırım
[gmx-users] gromacs synaptic package manager Roland Schulz
[gmx-users] gromacs synaptic package manager ahmet yıldırım
[gmx-users] gromacs synaptic package manager Roland Schulz
[gmx-users] gromacs synaptic package manager Justin A. Lemkul
[gmx-users] gromacs synaptic package manager ahmet yıldırım
[gmx-users] gromacs synaptic package manager Justin A. Lemkul
[gmx-users] gromacs synaptic package manager Justin A. Lemkul
[gmx-users] gromacs+MOPAC QMMM error Andrea Coletta
[gmx-users] Gromos 45A4 Hong, Liang
[gmx-users] Gromos 45A4 Thomas Piggot
[gmx-users] grompp Input/Output Error Dallas Warren
[gmx-users] hbond correlation function Navjeet Ahalawat
[gmx-users] hbond correlation function Erik Marklund
[gmx-users] Help for MD of short peptides at 276K Subhrangshu Supakar
[gmx-users] Help for MD of short peptides at 276K Justin A. Lemkul
[gmx-users] Help to run demo- reg Sathish
[gmx-users] Help to run demo- reg Mark Abraham
[gmx-users] How can I best setup the nodes number #ZHAO LINA#
[gmx-users] How can I best setup the nodes number vinothkumar mohanakrishnan
[gmx-users] How can I best setup the nodes number #ZHAO LINA#
[gmx-users] How can I best setup the nodes number Mark Abraham
[gmx-users] How does g_msd calculates MSD? Julian
[gmx-users] How does g_msd calculates MSD? Javier Cerezo
[gmx-users] How to incorporate WALP and KALP peptide in a Martini bilayer Sanku M
[gmx-users] How to incorporate WALP and KALP peptide in a Martini bilayer Justin A. Lemkul
[gmx-users] How to incorporate WALP and KALP peptide in a Martini bilayer Thomas Piggot
[gmx-users] How to incorporate WALP and KALP peptide in a Martini bilayer Sanku M
[gmx-users] How to incorporate WALP and KALP peptide in a Martini bilayer Justin A. Lemkul
[gmx-users] how to use gaff in gromacs fancy2012
[gmx-users] how to use gaff in gromacs Justin A. Lemkul
[gmx-users] how to write a rtp file for amido amine lammps lammps
[gmx-users] how to write a rtp file for amido amine Mark Abraham
[gmx-users] how to write a rtp file for amido amine lammps lammps
[gmx-users] how to write a rtp file for amido amine Justin A. Lemkul
[gmx-users] how to write a rtp file for amido amine lammps lammps
[gmx-users] how to write a rtp file for amido amine Justin A. Lemkul
[gmx-users] how to write a rtp file for amido amine lammps lammps
[gmx-users] Installation failed Kamalesh Roy
[gmx-users] Installation failed Justin A. Lemkul
[gmx-users] Installation of gromacs on a cluster with gcc version 4.1.2 Berk Hess
[gmx-users] Installation of gromacs on a cluster with gcc version 4.1.2 Jussi Lehtola
[gmx-users] Installation of gromacs on a cluster with gcc version 4.1.2 rashmi at chem.iitb.ac.in
[gmx-users] interfacial water molecules leila karami
[gmx-users] interfacial water molecules chris.neale at utoronto.ca
[gmx-users] interfacial water molecules Roland Schulz
[gmx-users] Intrinsically disordered proteins #ZHAO LINA#
[gmx-users] Intrinsically disordered proteins ms
[gmx-users] Intrinsically disordered proteins Justin A. Lemkul
[gmx-users] Intrinsically disordered proteins #ZHAO LINA#
[gmx-users] Invitation to connect on LinkedIn Yuno Lee via LinkedIn
[gmx-users] Is GROMACS right for 2-D Potential? Mick Warehime
[gmx-users] Is there a publication of the implemented reaction-field method? Mark Abraham
[gmx-users] Is there a publication of the implemented reaction-field method? Sascha Rehm
[gmx-users] Is there a setting for defualt genion selection? TJ Mustard
[gmx-users] Is there a setting for defualt genion selection? Justin A. Lemkul
[gmx-users] Is there a setting for defualt genion selection? TJ Mustard
[gmx-users] Isovalue for g_spatial representation Eudes Fileti
[gmx-users] Isovalue for g_spatial representation chris.neale at utoronto.ca
[gmx-users] Re: Isovalue for g_spatial representation Eudes Fileti
[gmx-users] Isovalue for g_spatial representation chris.neale at utoronto.ca
[gmx-users] Job crash: checkpoint file Jianhui Tian
[gmx-users] Job crash: checkpoint file Justin A. Lemkul
[gmx-users] Job crash: checkpoint file Shi, Chuanyin
[gmx-users] Job crash: checkpoint file David van der Spoel
[gmx-users] Job crash: checkpoint file Shi, Chuanyin
[gmx-users] Joining groups for simultaneous analysis in DSSP Ali Naqvi
[gmx-users] Joining groups for simultaneous analysis in DSSP Justin A. Lemkul
[gmx-users] Re: Joining groups for simultaneous analysis in DSSP (Justin A. Lemkul) Ali Naqvi
[gmx-users] last frame in trr Floris Buelens
[gmx-users] last frame in trr Berk Hess
[gmx-users] LINCS vs SHAKE Sai Pooja
[gmx-users] LINCS vs SHAKE Justin A. Lemkul
[gmx-users] LINCS vs SHAKE chris.neale at utoronto.ca
[gmx-users] LINCS vs SHAKE thompsjj at purdue.edu
[gmx-users] LINCS vs SHAKE Mark Abraham
[gmx-users] LINCS vs SHAKE chris.neale at utoronto.ca
[gmx-users] LINCS vs SHAKE Sai Pooja
[gmx-users] LINCS vs SHAKE Justin A. Lemkul
[gmx-users] LINCS vs SHAKE Mark Abraham
[gmx-users] LJ cut-off distance C. Batistakis
[gmx-users] LJ cut-off distance Justin A. Lemkul
[gmx-users] LJ cut-off distance C. Batistakis
[gmx-users] LJ cut-off distance Mark Abraham
[gmx-users] LJ cut-off distance C. Batistakis
[gmx-users] LJ cut-off distance Bogdan Costescu
[gmx-users] LJ potential Amir Marcovitz
[gmx-users] make_ndx for do_dssp Paymon Pirzadeh
[gmx-users] make_ndx for do_dssp Justin A. Lemkul
[gmx-users] make_ndx for do_dssp Paymon Pirzadeh
[gmx-users] make_ndx for do_dssp Justin A. Lemkul
[gmx-users] make_ndx for do_dssp Paymon Pirzadeh
[gmx-users] make_ndx for do_dssp Justin A. Lemkul
[gmx-users] Martini parameters for monoolein George Khelashvili
[gmx-users] Martini parameters for monoolein XAvier Periole
[gmx-users] Martini parameters for monoolein George Khelashvili
[gmx-users] Martini parameters for monoolein XAvier Periole
[gmx-users] Martini parameters for monoolein Javier Cerezo
[gmx-users] Martini parameters for monoolein Javier Cerezo
[gmx-users] Martini parameters for monoolein George Khelashvili
[gmx-users] mdrun-gpu error Renato Freitas
[gmx-users] mdrun-gpu error Osmair Oliveira
[gmx-users] mdrun-gpu error Roland Schulz
[gmx-users] mdrun-gpu error Renato Freitas
[gmx-users] Memory allocation - xpm2ps Maurício Menegatti Rigo
[gmx-users] Memory allocation - xpm2ps Justin A. Lemkul
[gmx-users] Memory allocation - xpm2ps Maurício Menegatti Rigo
[gmx-users] Memory allocation - xpm2ps Justin A. Lemkul
[gmx-users] Memory allocation - xpm2ps Maurício Menegatti Rigo
[gmx-users] Memory allocation - xpm2ps Justin A. Lemkul
[gmx-users] mirror reflection #ZHAO LINA#
[gmx-users] mirror reflection Erik Marklund
[gmx-users] mirror reflection Tsjerk Wassenaar
[gmx-users] mirror reflection #ZHAO LINA#
[gmx-users] mirror reflection #ZHAO LINA#
[gmx-users] Modifying gromacs Sai Pooja
[gmx-users] Modifying gromacs Mark Abraham
[gmx-users] Modifying gromacs Sai Pooja
[gmx-users] molecular surface area(MSA)? jagannath mondal
[gmx-users] molecular surface area(MSA)? Dallas Warren
[gmx-users] Multiple position restraints on the same system Justin A. Lemkul
[gmx-users] Multiple position restraints on the same system NG HUI WEN
[gmx-users] multiplicity for qmmm simulations jorge_quintero at ciencias.uis.edu.co
[gmx-users] Re: NAMD simulation in Gromacs Roland Schulz
[gmx-users] Re: NAMD simulation in Gromacs Roland Schulz
[gmx-users] Re: NAMD simulation in Gromacs oguz gurbulak
[gmx-users] New release: 4.5.2 Rossen Apostolov
[gmx-users] New release: 4.5.2 Thomas Piggot
[gmx-users] New shell water model, tabulated bonding interactions, and the documentation. Eric Shamay
[gmx-users] New shell water model, tabulated bonding interactions, and the documentation. Mark Abraham
[gmx-users] numerical matrix from xpm file Anupam Nath Jha
[gmx-users] numerical matrix from xpm file Mark Abraham
[gmx-users] numerical matrix from xpm file Anupam Nath Jha
[gmx-users] numerical matrix from xpm file Tsjerk Wassenaar
[gmx-users] numerical matrix from xpm file Anupam Nath Jha
[gmx-users] OPLS-AA force field lammps lammps
[gmx-users] OPLS-AA force field Jochen Hub
[gmx-users] output force Петр Попов
[gmx-users] output force Mark Abraham
[gmx-users] output force Петр Попов
[gmx-users] output force Justin A. Lemkul
[gmx-users] output force Петр Попов
[gmx-users] output force Justin A. Lemkul
[gmx-users] output force Петр Попов
[gmx-users] output force Петр Попов
[gmx-users] output force Justin A. Lemkul
[gmx-users] output force Justin A. Lemkul
[gmx-users] output force Петр Попов
[gmx-users] output force Justin A. Lemkul
[gmx-users] output force Mark Abraham
[gmx-users] output force Justin A. Lemkul
[gmx-users] output force Dallas Warren
[gmx-users] output force Петр Попов
[gmx-users] output force - 2 Петр Попов
[gmx-users] output force - 2 Justin A. Lemkul
[gmx-users] output force - 2 Петр Попов
[gmx-users] output force - 2 Justin A. Lemkul
[gmx-users] output force - 2 Петр Попов
[gmx-users] output force - 2 Mark Abraham
[gmx-users] partial pressure Vitaly Chaban
[gmx-users] Re: pdb2gmx problem David van der Spoel
[gmx-users] pdb2gmx stop at "AtomType 1" 英雄不再寂寞
[gmx-users] pdb2gmx stop at "AtomType 1" Justin A. Lemkul
[gmx-users] pdb2gmx stop at "AtomType 1"(Justin) 英雄不再寂寞
[gmx-users] pdb2gmx stop at "AtomType 1"(Justin) Justin A. Lemkul
[gmx-users] Percentage of H-bonds Carla Jamous
[gmx-users] Percentage of H-bonds Oliver Grant
[gmx-users] Percentage of H-bonds Justin A. Lemkul
[gmx-users] Percentage of H-bonds Carla Jamous
[gmx-users] Percentage of H-bonds Carla Jamous
[gmx-users] Percentage of H-bonds Justin A. Lemkul
[gmx-users] Percentage of H-bonds Carla Jamous
[gmx-users] Percentage of H-bonds Justin A. Lemkul
[gmx-users] Percentage of H-bonds Carla Jamous
[gmx-users] Percentage of H-bonds Justin A. Lemkul
[gmx-users] Please guide me mohsen ramezanpour
[gmx-users] Please guide me ms
[gmx-users] Please guide me mohsen ramezanpour
[gmx-users] Please guide me mohsen ramezanpour
[gmx-users] Please guide me Justin A. Lemkul
[gmx-users] Point Dipoles Donovan B.T.
[gmx-users] Point Dipoles David van der Spoel
[gmx-users] Polar Hydrogen missing using PRODRG Jennifer Williams
[gmx-users] Polar Hydrogen missing using PRODRG Justin A. Lemkul
[gmx-users] Polar Hydrogen missing using PRODRG Jennifer Williams
[gmx-users] Polar Hydrogen missing using PRODRG Justin A. Lemkul
[gmx-users] Polar Hydrogen missing using PRODRG Jennifer Williams
[gmx-users] Polar Hydrogen missing using PRODRG Justin A. Lemkul
[gmx-users] Polyethylene Surface generation Yash Gandhi
[gmx-users] Polyethylene Surface generation Mark Abraham
[gmx-users] position restraints and out of bounds atom index Alexandre Suman de Araujo
[gmx-users] position restraints and out of bounds atom index Alexandre Suman de Araujo
[gmx-users] position_restraints #ZHAO LINA#
[gmx-users] position_restraints Justin A. Lemkul
[gmx-users] problem of parallel run in gromacs-4.5.1 fancy2012
[gmx-users] problem of parallel run in gromacs-4.5.1 Mark Abraham
[gmx-users] problem of paralleled running fancy2012
[gmx-users] problem of paralleled running TJ Mustard
[gmx-users] problem of paralleled running TJ Mustard
[gmx-users] problem of paralleled running Dallas Warren
[gmx-users] problem of paralleled running Justin A. Lemkul
[gmx-users] problem with energy groups and mdrun -rerun option jagannath mondal
[gmx-users] problem with energy groups and mdrun -rerun option Justin A. Lemkul
[gmx-users] problem with energy groups and mdrun -rerun option jagannath mondal
[gmx-users] problem with energy groups and mdrun -rerun option Justin A. Lemkul
[gmx-users] problem with energy groups and mdrun -rerun option Mark Abraham
[gmx-users] problem with g_density Ozge Engin
[gmx-users] problem with g_density Justin A. Lemkul
[gmx-users] problem with g_density Tsjerk Wassenaar
[gmx-users] problem with g_density chris.neale at utoronto.ca
[gmx-users] Problem with PME + test particle insertion Kevin Daly
[gmx-users] Problem with PME + test particle insertion Berk Hess
[gmx-users] Re: Problem with pressure coupling Ondrej Marsalek
[gmx-users] Re: Problem with pressure coupling Justin A. Lemkul
[gmx-users] Re: Problem with pressure coupling Berk Hess
[gmx-users] Re: Problem with pressure coupling Ondrej Marsalek
[gmx-users] Re: Problem with pressure coupling Berk Hess
[gmx-users] Problems for checking the equilibrium of Ionic liquid system hui sun
[gmx-users] Problems for checking the equilibrium of Ionic liquid system Florian Dommert
[gmx-users] problems of compiling gromacs-4.5.1 fancy2012
[gmx-users] problems of compiling gromacs-4.5.1 Mark Abraham
[gmx-users] problems of compiling gromacs-4.5.1 Roland Schulz
[gmx-users] Problems when simulating a protein in its crystal matrix. Itamar Kass
[gmx-users] Problems when simulating a protein in its crystal matrix. Mark Abraham
[gmx-users] Problems with NVT simulation with CHARMM27 sa
[gmx-users] PRODRG server mohsen ramezanpour
[gmx-users] Re: PRODRG server mohsen ramezanpour
[gmx-users] Re: PRODRG server Justin A. Lemkul
[gmx-users] Re: PRODRG server mohsen ramezanpour
[gmx-users] Re: PRODRG server Justin A. Lemkul
[gmx-users] Re: PRODRG server Lucio Ricardo Montero Valenzuela
[gmx-users] protein embedded into membrane. #ZHAO LINA#
[gmx-users] protein embedded into membrane. Justin A. Lemkul
[gmx-users] protein embedded into membrane. #ZHAO LINA#
[gmx-users] protein embedded into membrane. Justin A. Lemkul
[gmx-users] published paper related to protein simulation using gromacs ahmet yıldırım
[gmx-users] published paper related to protein simulation using gromacs Deniz KARASU
[gmx-users] Re: published paper related to protein simulation, using gromacs Thomas Schlesier
[gmx-users] Re: published paper related to protein simulation, using gromacs #ZHAO LINA#
[gmx-users] query on decomposing potential of mean force Sanku M
[gmx-users] query regarding missing residues sonali dhindwal
[gmx-users] query regarding missing residues Mark Abraham
[gmx-users] query regarding missing residues Justin A. Lemkul
[gmx-users] query regarding missing residues sonali dhindwal
[gmx-users] question about periodic boundary conditions rainy908 at yahoo.com
[gmx-users] question about periodic boundary conditions Justin A. Lemkul
[gmx-users] question about periodic boundary conditions rainy908 at yahoo.com
[gmx-users] question about periodic boundary conditions Justin A. Lemkul
[gmx-users] question about periodic boundary conditions rainy908 at yahoo.com
[gmx-users] question about periodic boundary conditions Justin A. Lemkul
[gmx-users] question about periodic boundary conditions Abhijeet Joshi
[gmx-users] question about periodic boundary conditions Mark Abraham
[gmx-users] Questions about REMD calculations ABEL Stephane 175950
[gmx-users] Questions about REMD calculations chris.neale at utoronto.ca
[gmx-users] Questions about REMD calculations XAvier Periole
[gmx-users] Questions about REMD calculations ms
[gmx-users] Questions about REMD calculations XAvier Periole
[gmx-users] Questions about REMD calculations Mark Abraham
[gmx-users] Questions about REMD calculations chris.neale at utoronto.ca
[gmx-users] questions about some mdp options in 4.5.1 Michael Brunsteiner
R: [gmx-users] About Zn paramter Spitaleri Andrea
R: [gmx-users] remd with disre in gmx4.0.7 Spitaleri Andrea
[gmx-users] Re : installation of gromacs in windows on cygwin bharat gupta
[gmx-users] Re : installation of gromacs in windows on cygwin Justin A. Lemkul
[gmx-users] Re : installation of gromacs in windows on cygwin bharat gupta
[gmx-users] Re : installation of gromacs in windows on cygwin Justin A. Lemkul
[gmx-users] Re : installation of gromacs in windows on cygwin bharat gupta
[gmx-users] Re : installation of gromacs in windows on cygwin Justin A. Lemkul
[gmx-users] Re : installation of gromacs in windows on cygwin #ZHAO LINA#
[gmx-users] Re : installation of gromacs in windows on cygwin Justin A. Lemkul
[gmx-users] Re : installation of gromacs in windows on cygwin Roland Schulz
[gmx-users] reg. water mol. and its residence time babu gokul
[gmx-users] reg. water mol. and its residence time Erik Marklund
[gmx-users] Reg: Energy minimisation of hexane vinothkumar mohanakrishnan
[gmx-users] Reg: Energy minimisation of hexane Mark Abraham
[gmx-users] Reg: Energy minimisation of hexane vinothkumar mohanakrishnan
[gmx-users] Reg: Energy minimisation of hexane Mark Abraham
[gmx-users] Reg: Installing gromacs in cygwin vinothkumar mohanakrishnan
[gmx-users] Reg: Installing gromacs in cygwin Mark Abraham
[gmx-users] Reg: Installing gromacs in cygwin vinothkumar mohanakrishnan
[gmx-users] Reg: Installing gromacs in cygwin Mark Abraham
[gmx-users] Reg: Installing gromacs in cygwin vinothkumar mohanakrishnan
[gmx-users] Reg: Installing gromacs in cygwin Justin A. Lemkul
[gmx-users] Reg: Installing gromacs in cygwin vinothkumar mohanakrishnan
[gmx-users] Reg: NPT Equilibration of water vinothkumar mohanakrishnan
[gmx-users] Reg: NPT Equilibration of water Mark Abraham
[gmx-users] Reg: NPT Equilibration of water vinothkumar mohanakrishnan
[gmx-users] Reg: NPT Equilibration of water David van der Spoel
[gmx-users] Reg: NPT Equilibration of water vinothkumar mohanakrishnan
[gmx-users] Reg: NPT Equilibration of water Mark Abraham
[gmx-users] Reg: NPT Equilibration of water vinothkumar mohanakrishnan
[gmx-users] Reg: NPT Equilibration of water Justin A. Lemkul
[gmx-users] Reg: NPT Equilibration of water vinothkumar mohanakrishnan
[gmx-users] Reg: NPT Equilibration of water Justin A. Lemkul
[gmx-users] Reg: NPT Equilibration of water vinothkumar mohanakrishnan
[gmx-users] Reg: NPT Equilibration of water Justin A. Lemkul
[gmx-users] Reg: NPT Equilibration of water Mark Abraham
[gmx-users] Reg: NPT Equilibration of water Tsjerk Wassenaar
[gmx-users] Reg: NPT Equilibration of water Mark Abraham
[gmx-users] Reg: Prodrg topology vinothkumar mohanakrishnan
[gmx-users] Reg: Prodrg topology Mark Abraham
[gmx-users] Reg: Prodrg topology vinothkumar mohanakrishnan
[gmx-users] Reg: Putting molecules on one side of the box vinothkumar mohanakrishnan
[gmx-users] Reg: Putting molecules on one side of the box Mark Abraham
[gmx-users] Reg: Putting molecules on one side of the box vinothkumar mohanakrishnan
[gmx-users] Reg: Putting molecules on one side of the box Mark Abraham
[gmx-users] Reg: Putting molecules on one side of the box Chandan Choudhury
[gmx-users] Reg: Running Energy minimisation for dichloroethane (DCE) vinothkumar mohanakrishnan
[gmx-users] Reg: Running Energy minimisation for dichloroethane (DCE) Mark Abraham
[gmx-users] Reg: Running Energy minimisation for dichloroethane (DCE) vinothkumar mohanakrishnan
[gmx-users] Reg: Running Energy minimisation for dichloroethane (DCE) Justin A. Lemkul
[gmx-users] Reg: Running Energy minimisation for dichloroethane (DCE) ms
[gmx-users] Reg: Running Energy minimisation for dichloroethane (DCE) vinothkumar mohanakrishnan
[gmx-users] Reg: Running Energy minimisation for dichloroethane (DCE) Justin A. Lemkul
[gmx-users] Reg: Running Energy minimisation for dichloroethane (DCE) vinothkumar mohanakrishnan
[gmx-users] Reg: Running Energy minimisation for dichloroethane (DCE) Justin A. Lemkul
[gmx-users] Reg: Running Energy minimisation for dichloroethane (DCE) vinothkumar mohanakrishnan
[gmx-users] Reg: Running Energy minimisation for dichloroethane (DCE) Justin A. Lemkul
[gmx-users] Reg: Running Energy minimisation for dichloroethane (DCE) vinothkumar mohanakrishnan
[gmx-users] Reg: Running Energy minimisation for dichloroethane (DCE) Justin A. Lemkul
[gmx-users] Reg: Running Energy minimisation for dichloroethane (DCE) Justin A. Lemkul
[gmx-users] Reg:Equilibration vinothkumar mohanakrishnan
[gmx-users] Reg:Equilibration Justin A. Lemkul
[gmx-users] Reg:Equilibration Anil Mhashal
[gmx-users] Reg:Equilibration vinothkumar mohanakrishnan
[gmx-users] Reg:Equilibration Anil Mhashal
[gmx-users] Reg:Equilibration Justin A. Lemkul
[gmx-users] Reg:Equilibration Mark Abraham
[gmx-users] Reg:Equilibration Anil Mhashal
[gmx-users] Reg:Pressure coupling not enough values (I need 2) vinothkumar mohanakrishnan
[gmx-users] Reg:Pressure coupling not enough values (I need 2) Mark Abraham
[gmx-users] Reg:Using Trjconv to combine two gro r pdb files vinothkumar mohanakrishnan
[gmx-users] Reg:Using Trjconv to combine two gro r pdb files Mark Abraham
[gmx-users] Reg; MD of DCE part II vinothkumar mohanakrishnan
[gmx-users] Reg; MD of DCE part II Mark Abraham
[gmx-users] Reg; MD of DCE part II vinothkumar mohanakrishnan
[gmx-users] Reg; MD of DCE part II Mark Abraham
[gmx-users] Reg; MD of DCE part II Dallas Warren
[gmx-users] Reg; MD of DCE part II vinothkumar mohanakrishnan
[gmx-users] Reg; MD of DCE part II Justin A. Lemkul
[gmx-users] Reg; MD of DCE part II vinothkumar mohanakrishnan
[gmx-users] Reg; MD of DCE part II Justin A. Lemkul
[gmx-users] Reg; MD of DCE part II Dallas Warren
[gmx-users] regarding installation Anamika Awasthi
[gmx-users] regarding installation Mark Abraham
[gmx-users] regarding installation Shi, Chuanyin
[gmx-users] regarding installation Justin A. Lemkul
[gmx-users] regrding sampling in transtion path sampling sreelakshmi ramesh
[gmx-users] regrding sampling in transtion path sampling chris.neale at utoronto.ca
[gmx-users] REMD speed calculation compared to classical MD ABEL Stephane 175950
[gmx-users] REMD speed calculation compared to classical MD XAvier Periole
[gmx-users] REMD speed calculation compared to classical MD David van der Spoel
[gmx-users] REMD speed calculation compared to classical MD Chris Neale
[gmx-users] REMD speed calculation compared to classical MD ABEL Stephane 175950
[gmx-users] remd with disre in gmx4.0.7 Spitaleri Andrea
[gmx-users] remd with disre in gmx4.0.7 Justin A. Lemkul
[gmx-users] remd with disre in gmx4.0.7 Mark Abraham
[gmx-users] residence time of water molecule and life time of hydrogen atila petrosian
[gmx-users] residence time of water molecule and life time of hydrogen Justin A. Lemkul
[gmx-users] residence time of water molecule and life time of hydrogen atila petrosian
[gmx-users] residence time of water molecule and life time of hydrogen Justin A. Lemkul
[gmx-users] residence time of water molecule and life time of hydrogen Mark Abraham
[gmx-users] Re: resolved pdb2gmx Justin A. Lemkul
[gmx-users] Re: resolved pdb2gmx Justin A. Lemkul
[gmx-users] resolved pdm2gmx ahmet yıldırım
[gmx-users] resolved pdm2gmx Mark Abraham
[gmx-users] resolved pdm2gmx ahmet yıldırım
[gmx-users] resolved pdm2gmx Mark Abraham
[gmx-users] RE : Questions about REMD calculations ABEL Stephane 175950
RE： [gmx-users] A very strange problem about version of pdb2gmx 英雄不再寂寞
[gmx-users] rlist and rcoulomb Swarnendu Tripathi
[gmx-users] rlist and rcoulomb Justin A. Lemkul
[gmx-users] rlist and rcoulomb Swarnendu Tripathi
[gmx-users] rlist and rcoulomb Mark Abraham
[gmx-users] Re: Segmantation fault at g_traj Susanne Fritz
[gmx-users] Re: Segmantation fault at g_traj Justin A. Lemkul
[gmx-users] select waters in CNT zhongjin
[gmx-users] select waters in CNT Teemu Murtola
[gmx-users] select waters in CNT Teemu Murtola
[gmx-users] Self Diffusion contant teklebrh at ualberta.ca
[gmx-users] Self Diffusion contant Javier Cerezo
[gmx-users] Self Diffusion contant Igor Leontyev
[gmx-users] simulation of a protein including calcium ion leila karami
[gmx-users] simulation of a protein including calcium ion mohsen ramezanpour
[gmx-users] simulation of a protein including calcium ion leila karami
[gmx-users] simulation of a protein including calcium ion mohsen ramezanpour
[gmx-users] simulation of a protein including calcium ion leila karami
[gmx-users] simulation of a protein including calcium ion mohsen ramezanpour
[gmx-users] simulation of a protein including calcium ion Justin A. Lemkul
[gmx-users] simulation of a protein including calcium ion Tsjerk Wassenaar
[gmx-users] simulation of a protein including calcium ion leila karami
[gmx-users] simulation of a protein including calcium ion Justin A. Lemkul
[gmx-users] simulation of a protein including calcium ion leila karami
[gmx-users] simulation of a protein including calcium ion Justin A. Lemkul
[gmx-users] Simulation parameter problem about protein unfolding Chen
[gmx-users] Simulation parameter problem about protein unfolding chris.neale at utoronto.ca
[gmx-users] Simulation parameter problem about protein unfolding Itamar Kass
[gmx-users] Simulation parameter problem about protein unfolding Chen
[gmx-users] Simulation parameter problem about protein unfolding David van der Spoel
[gmx-users] Simulation parameter problem about protein unfolding Chen
[gmx-users] Simulation parameter problem about protein unfolding chris.neale at utoronto.ca
[gmx-users] Simulation parameter problem about protein unfolding chris.neale at utoronto.ca
[gmx-users] Simulation parameter problem about protein unfolding ms
[gmx-users] Simulation parameter problem about protein unfolding Chen
[gmx-users] Simulations on GPU Szilárd Páll
[gmx-users] Simulations on GPU Rossen Apostolov
[gmx-users] Simulations on GPU Igor Leontyev
[gmx-users] Simulations on GPU Igor Leontyev
[gmx-users] Simulations on GPU Igor Leontyev
[gmx-users]site-site radial distribution function Payman Pirzadeh
[gmx-users] solvation box type for nanotubes raj
[gmx-users] Split pmf Петр Попов
[gmx-users] Split pmf Jochen Hub
[gmx-users] Split pmf Петр Попов
[gmx-users] ST2 water Yang Liu
[gmx-users] ST2 water Mark Abraham
[gmx-users] Subject: basic questions about _FF_FORCEFIELD statement..... Justin A. Lemkul
[gmx-users] Subject: basic questions about _FF_FORCEFIELD statement..... Alberto Sergio Garay
[gmx-users] Surface pressure for lipid bilayer. Abhijeet Joshi
[gmx-users] surface tension calcualtion Rohit Malshe
[gmx-users] Re: swiss param query Michel Cuendet
[gmx-users] Re: swiss param query David van der Spoel
[gmx-users] Re: swiss param query Michel Cuendet
[gmx-users] Re: Re: swiss param query Michel Cuendet
[gmx-users] swiss param query, ram bio
[gmx-users] swiss param query, Justin A. Lemkul
[gmx-users] SwissParam Michel Cuendet
[gmx-users] SwissParam Rossen Apostolov
[gmx-users] Synthesis of Polyethylene SUrface Topology Yash Gandhi
[gmx-users] Synthesis of Polyethylene SUrface Topology Justin A. Lemkul
[gmx-users] Tables with forcefield ms
[gmx-users] Template file in gromacs4.5.1 Sikandar Mashayak
[gmx-users] Re: Template file in gromacs4.5.1 Sikandar Mashayak
[gmx-users] Re: Template file in gromacs4.5.1 Teemu Murtola
[gmx-users] the density of liquid benzene is too large Cenfeng Fu
[gmx-users] the density of liquid benzene is too large Justin A. Lemkul
[gmx-users] Re: the density of liquid benzene is too large Cenfeng Fu
[gmx-users] Re: the density of liquid benzene is too large Justin A. Lemkul
[gmx-users] the first 10 missing interactions, except for exclusions... 英雄不再寂寞
[gmx-users] the first 10 missing interactions, except for exclusions... Justin A. Lemkul
[gmx-users] the first 10 missing interactions, except for exclusions... GMX Xiao
[gmx-users] the problem of gromacs-4.5.1 has been solved fancy2012
[gmx-users] the problem of gromacs-4.5.1 has been solved Francesco Oteri
[gmx-users] the total charge of a neutral molecules is not zero lammps lammps
[gmx-users] the total charge of a neutral molecules is not zero Justin A. Lemkul
[gmx-users] The trouble with dihedral restraints: frozen peptide backbones ms
[gmx-users] The trouble with dihedral restraints: frozen peptide backbones Mark Abraham
[gmx-users] The trouble with dihedral restraints: frozen peptide backbones ms
[gmx-users] The trouble with dihedral restraints: frozen peptide backbones ms
[gmx-users] The trouble with dihedral restraints: frozen peptide backbones Mark Abraham
[gmx-users] The trouble with dihedral restraints: frozen peptide backbones ms
[gmx-users] The trouble with dihedral restraints: frozen peptide backbones ms
[gmx-users] The trouble with dihedral restraints: frozen peptide backbones ms
[gmx-users] top file for two seperate peptides Qian Wang
[gmx-users] top file for two seperate peptides Justin A. Lemkul
[gmx-users] top file for two seperate peptides Qian Wang
[gmx-users] top file for two seperate peptides Justin A. Lemkul
[gmx-users] top file for two seperate peptides Qian Wang
[gmx-users] top2psf.pl is generating some bonds to atoms with index 0. Justin A. Lemkul
[gmx-users] top2psf.pl is generating some bonds to atoms with index 0. Justin A. Lemkul
[gmx-users] top2psf.pl is generating some bonds to atoms with index 0. Kwee Hong
[gmx-users] top2psf.pl is generating some bonds to atoms with index 0. Justin A. Lemkul
[gmx-users] top2psf.pl is generating some bonds to atoms with index 0. Kwee Hong
[gmx-users] Total Energy of the system is positive? teklebrh at ualberta.ca
[gmx-users] Total Energy of the system is positive? Mark Abraham
[gmx-users] Total Energy of the system is positive? Thank you Mark! teklebrh at ualberta.ca
[gmx-users] trjconv -pbc atila petrosian
[gmx-users] trjconv -pbc Justin A. Lemkul
[gmx-users] trjconv t0/timestep parameter confusion Martin Hoefling
[gmx-users] trjconv t0/timestep parameter confusion Mark Abraham
[gmx-users] trjconv t0/timestep parameter confusion Martin Hoefling
[gmx-users] Umbrella sampling with temperature and pressure coupling method problem Justin A. Lemkul
[gmx-users] Umbrella sampling with temperature and pressure coupling method problem DeChang Li
[gmx-users] Umbrella sampling with temperature and pressure coupling method problem chris.neale at utoronto.ca
[gmx-users] Re: Umbrella sampling with temperature and pressure coupling method problem (Justin A. Lemkul) Justin A. Lemkul
[gmx-users] Re: Umbrella sampling with temperature and pressure coupling method problem (Justin A. Lemkul) DeChang Li
[gmx-users] Re: Re: Umbrella sampling with temperature and pressure coupling method problem (Justin A. Lemkul) (Justin A. Lemkul) DeChang Li
[gmx-users] unconstrained_start vs. continuation in Gromacs 4.5.x manual Oliver Stueker
[gmx-users] unconstrained_start vs. continuation in Gromacs 4.5.x manual Mark Abraham
[gmx-users] united atom force field for long chain alkane ? Sanku M
[gmx-users] United atom forcefield for long alkane ? Sanku M
[gmx-users] United atom forcefield for long alkane ? Dallas Warren
[gmx-users] Use the TIP4P water model in the gmx2 force field Berk Hess
[gmx-users] Use the TIP4P water model in the gmx2 force field kecy_wu at sina.com
[gmx-users] User training for Gromacs on parallel systems: a survey Rossen Apostolov
[gmx-users] Using MDS for protein folding kinetics studies bharat gupta
[gmx-users] viscosity calculations Payman Pirzadeh
[gmx-users] Water molecule starting at atom x can not be settled - minimization step Mark Abraham
[gmx-users] Water molecule starting at atom x can not be settled - minimization step Trang
[gmx-users] who has the force field file of gromos45a4 Hong, Liang
[gmx-users] who has the force field file of gromos45a4 Thomas Piggot
[gmx-users] why does trjcat take so much memory? chris.neale at utoronto.ca
[gmx-users] why does trjcat take so much memory? Mark Abraham
[gmx-users] why does trjcat take so much memory? chris.neale at utoronto.ca
[gmx-users] why does trjcat take so much memory? Roland Schulz
[gmx-users] why does trjcat take so much memory? David van der Spoel
[gmx-users] why does trjcat take so much memory? Berk Hess
[gmx-users] why does trjcat take so much memory? Roland Schulz
[gmx-users] why does trjcat take so much memory? chris.neale at utoronto.ca
[gmx-users] xpm file Carla Jamous
[gmx-users] xpm file Justin A. Lemkul
[gmx-users] xpm file Carla Jamous
[gmx-users] xpm file Erik Marklund
[gmx-users] xpm2ps shiva birgani
[gmx-users] xpm2ps Justin A. Lemkul
[gmx-users] yes/no shahab shariati
[gmx-users] yes/no Justin A. Lemkul
[gmx-users] yes/no shahab shariati
[gmx-users] yes/no Justin A. Lemkul
[gmx-users] yes/no shahab shariati
[gmx-users] yes/no Justin A. Lemkul
[gmx-users] yes/no shahab shariati
[gmx-users] yes/no Justin A. Lemkul
回复： [gmx-users] the first 10 missing interactions,except for exclusions... 英雄不再寂寞
Re: 回复： [gmx-users] the first 10 missing interactions,except for exclusions... Jindao
回复： [gmx-users] the first 10 missing interactions,except for exclusions... Justin A. Lemkul
回复： [gmx-users] the first 10 missing interactions,except for exclusions... 英雄不再寂寞
[gmx-users] 转发: about COM pulling and g_dist zhongjin

Last message date: Sun Oct 31 23:27:48 CET 2010
Archived on: Thu Nov 14 12:09:34 CET 2013

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