February 2015 Archives by subject

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Starting: Sun Feb 1 00:05:04 CET 2015
Ending: Sat Feb 28 21:16:11 CET 2015
Messages: 561

[gmx-users] [ constraints ] in .rtp database not recognized by pdb2gmx Barnett, James W
[gmx-users] [ constraints ] in .rtp database not recognized by pdb2gmx Justin Lemkul
[gmx-users] [MGMS-DS]: Molecular Modelling Workshop March 9-11, 2015 in Erlangen, Germany Harald Lanig
[gmx-users] A question regarding electrostatic and coulomb energies. Mark Abraham
[gmx-users] A question regarding electrostatic and coulomb energies. IÑIGO SAENZ
[gmx-users] A quick question regarding topology generation Agnivo Gosai
[gmx-users] A quick question regarding topology generation Justin Lemkul
[gmx-users] about source code of the old version of GROAMCS (1.0 to 2.0) Man Hoang Viet
[gmx-users] about source code of the old version of GROAMCS (1.0 to 2.0) Mark Abraham
[gmx-users] about source code of the old version of GROAMCS (1.0 to 2.0) Man Hoang Viet
[gmx-users] adding polyatomic species in water #SUKRITI GUPTA#
[gmx-users] adding polyatomic species in water Justin Lemkul
[gmx-users] adding polyatomic species in water Kester Wong
[gmx-users] After solvation and before adding ions, number of molecules does not agree Thomas Lipscomb
[gmx-users] After solvation and before adding ions, number of molecules does not agree Thomas Lipscomb
[gmx-users] analysis of the secondary structure diagram nazli kashani javid
[gmx-users] analysis of the secondary structure diagram Justin Lemkul
[gmx-users] analysis of the secondary structure diagram Nazli
[gmx-users] Announcement: release of FESetup 1.1 Hannes Loeffler
[gmx-users] Application of electric field on membrane petrishia petrishia
[gmx-users] Application of electric field on membrane David van der Spoel
[gmx-users] Application of electric field on membrane petrishia petrishia
[gmx-users] Application of electric field on membrane Justin Lemkul
[gmx-users] Beyond the KALP15 in DPPC tutorial and doing analysis in GROMACS Thomas Lipscomb
[gmx-users] Beyond the KALP15 in DPPC tutorial and doing analysis in GROMACS Justin Lemkul
[gmx-users] Beyond the KALP15 in DPPC tutorial and doing analysis in GROMACS Thomas Lipscomb
[gmx-users] Beyond the KALP15 in DPPC tutorial and doing analysis in GROMACS Justin Lemkul
[gmx-users] Beyond the KALP15 in DPPC tutorial and doing analysis in GROMACS Thomas Lipscomb
[gmx-users] Beyond the KALP15 in DPPC tutorial and doing analysis in GROMACS Justin Lemkul
[gmx-users] breaking S-S bond using pdb2gmx Sahithya S Iyer
[gmx-users] breaking S-S bond using pdb2gmx Justin Lemkul
[gmx-users] breaking S-S bond using pdb2gmx Sahithya S Iyer
[gmx-users] Build-Gromacs installation error rahul dhakne
[gmx-users] Build-Gromacs installation error Dan Sponseller
[gmx-users] Build-Gromacs installation error Szilárd Páll
[gmx-users] building topology by ATB server Saman Shahriyari
[gmx-users] calculating interaction energies of dimers and ligand Justin Lemkul
[gmx-users] calculating interaction energies of dimers and ligand RJ
[gmx-users] Can only find GPU'S on first node Barnett, James W
[gmx-users] Can only find GPU'S on first node Smith, Micholas D.
[gmx-users] Can only find GPU'S on first node Barnett, James W
[gmx-users] Changing atom names from pdb to gro in editconf Rebeca García Fandiño
[gmx-users] Changing atom names from pdb to gro in editconf Justin Lemkul
[gmx-users] check for bad contacts and/or reduce the time step if appropriate Mark Abraham
[gmx-users] check for bad contacts and/or reduce the time step if appropriate Daniele Veclani
[gmx-users] check_bonds_timestep() only reports the first suspicious bond Mario Fernández Pendás
[gmx-users] check_bonds_timestep() only reports the first suspicious bond Mark Abraham
[gmx-users] check_bonds_timestep() only reports the first suspicious bond Mario Fernández Pendás
[gmx-users] chiara_marcolin wants to share a link | Gromacs rossen at kth.se
[gmx-users] Cluster recommendations Carsten Kutzner
[gmx-users] Cluster recommendations Szilárd Páll
[gmx-users] Cluster recommendations David McGiven
[gmx-users] Comb. Rule 2 LJ Params. Being Stored in .tpr as Rule 1 and Vice Versa? Barnett, James W
[gmx-users] Comb. Rule 2 LJ Params. Being Stored in .tpr as Rule 1 and Vice Versa? Justin Lemkul
[gmx-users] combine two solvent box to one large box. BIRD
[gmx-users] combine two solvent box to one large box. Mark Abraham
[gmx-users] Compilation errors (5.0.4) Satyabrata Das
[gmx-users] Compilation errors (5.0.4) Mark Abraham
[gmx-users] Computing Resource - Laptop Douglas Grahame
[gmx-users] Computing Resource - Laptop Szilárd Páll
[gmx-users] Computing Resource - Laptop Douglas Grahame
[gmx-users] Computing Resource - Laptop Szilárd Páll
[gmx-users] Computing Resource - Laptop VITALY VITALIEVICH CHABAN
[gmx-users] Conversion of Harmonic potential parameters to Morse potential parameters Jashimuddin Ashraf
[gmx-users] counting dihedral transitions not working with gmx angle Mark Abraham
[gmx-users] counting dihedral transitions not working with gmx angle Cristi Amariei
[gmx-users] counting dihedral transitions not working with gmx angle (Mark Abraham) Cristi Amariei
[gmx-users] counting dihedral transitions not working with gmx angle (Mark Abraham) Cristi Amariei
[gmx-users] counting dihedral transitions not working with gmx angle (Mark Abraham) Mark Abraham
[gmx-users] Covalent bond/crosslink formation with calcium Turgay Cakmak
[gmx-users] Covalent bond/crosslink formation with calcium Justin Lemkul
[gmx-users] Covalent bond/crosslink formation with calcium Turgay Cakmak
[gmx-users] Covalent bond/crosslink formation with calcium Justin Lemkul
[gmx-users] Creating box, Bishnu Acharya
[gmx-users] Creating box, Justin Lemkul
[gmx-users] Creating box, Bishnu Acharya
[gmx-users] Creating POSRES option for MDP file Agnivo Gosai
[gmx-users] Creating POSRES option for MDP file Justin Lemkul
[gmx-users] Difference between dihedral and torsional angles. B P
[gmx-users] Difference between dihedral and torsional angles. Justin Lemkul
[gmx-users] Distance restraint between two chains' com WT Ren
[gmx-users] Distance restraint between two chains' com WT Ren
[gmx-users] Distance restraint between two chains' com Justin Lemkul
[gmx-users] Distance restraint between two chains' com WT Ren
[gmx-users] Distance restraint between two chains' com WT Ren
[gmx-users] Distance restraint between two chains' com Justin Lemkul
[gmx-users] Distance restraint between two chains' com WT Ren
[gmx-users] DNA-protein complex - which force field to use? Jernej Zidar
[gmx-users] DNA-protein complex - which force field to use? Paulo Netz
[gmx-users] DNA-protein complex - which force field to use? Erik Marklund
[gmx-users] DNA-protein complex - which force field to use? Felipe Merino
[gmx-users] DNA-Protein complex MD failing virginia miguel
[gmx-users] DNA-Protein complex MD failing Justin Lemkul
[gmx-users] DNA-Protein complex MD failing virginia miguel
[gmx-users] DNA-Protein complex MD failing Justin Lemkul
[gmx-users] Double counting of h-bonds g_hbond:issue Udaya Dahal
[gmx-users] Double counting of h-bonds g_hbond:issue Justin Lemkul
[gmx-users] Double counting of h-bonds g_hbond:issue Udaya Dahal
[gmx-users] Double counting of h-bonds g_hbond:issue Justin Lemkul
[gmx-users] Double counting of h-bonds g_hbond:issue Udaya Dahal
[gmx-users] Doubt about energies in a very simple system IÑIGO SAENZ
[gmx-users] Doubt about energies in a very simple system Justin Lemkul
[gmx-users] Doubt about energies in a very simple system Mark Abraham
[gmx-users] Doubt about energies in a very simple system IÑIGO SAENZ
[gmx-users] Doubt about energies in a very simple system Justin Lemkul
[gmx-users] Doubt about energies in a very simple system IÑIGO SAENZ
[gmx-users] Doubt about energies in a very simple system Mark Abraham
[gmx-users] Effect of time step size Faezeh Pousaneh
[gmx-users] Effect of time step size Mark Abraham
[gmx-users] Effect of time step size Faezeh Pousaneh
[gmx-users] Effect of time step size Justin Lemkul
[gmx-users] Effect of time step size Faezeh Pousaneh
[gmx-users] Effect of time step size Justin Lemkul
[gmx-users] Effect of time step size Faezeh Pousaneh
[gmx-users] Effect of time step size Justin Lemkul
[gmx-users] Effect of time step size Faezeh Pousaneh
[gmx-users] Effect of time step size Justin Lemkul
[gmx-users] Effect of time step size Faezeh Pousaneh
[gmx-users] electric fields mah maz
[gmx-users] electric fields mah maz
[gmx-users] electric fields Justin Lemkul
[gmx-users] electric fields David van der Spoel
[gmx-users] electric fields Justin Lemkul
[gmx-users] electric fields mah maz
[gmx-users] electric fields David van der Spoel
[gmx-users] electric fields mah maz
[gmx-users] Energy minimization for Inositol pyrophosphate ashish bihani
[gmx-users] Energy minimization for Inositol pyrophosphate Justin Lemkul
[gmx-users] Error during mdrun soumadwip ghosh
[gmx-users] Error during mdrun Rohit Farmer
[gmx-users] Error during mdrun Justin Lemkul
[gmx-users] Error in generated Replica Exchange statistics in log file Mark Abraham
[gmx-users] Error in generated Replica Exchange statistics in log file Abhi Acharya
[gmx-users] ERROR OBTAINED FOR NVT OF DOPC AND PROTEIN SIMULATIONS Justin Lemkul
[gmx-users] ERROR OBTAINED FOR NVT OF DOPC AND PROTEIN SIMULATIONS Antara mazumdar
[gmx-users] error: Atom 1 in multiple Energy Mon. groups nazli kashani javid
[gmx-users] error: Atom 1 in multiple Energy Mon. groups Justin Lemkul
[gmx-users] error: Atom 1 in multiple Energy Mon. groups nazli kashani javid
[gmx-users] error: Atom 1 in multiple Energy Mon. groups Justin Lemkul
[gmx-users] error: Atom 1 in multiple Energy Mon. groups nazli kashani javid
[gmx-users] error: Atom 1 in multiple Energy Mon. groups Justin Lemkul
[gmx-users] error: Atom 1 in multiple Energy Mon. groups nazli kashani javid
[gmx-users] ffbond.itp marzieh dehghan
[gmx-users] ffbond.itp Justin Lemkul
[gmx-users] ffbond.itp marzieh dehghan
[gmx-users] ffbond.itp Justin Lemkul
[gmx-users] ffnonbonded.itp and ffbonded.itp files are missing DPPC somehow Thomas Lipscomb
[gmx-users] ffnonbonded.itp and ffbonded.itp files are missing DPPC somehow Justin Lemkul
[gmx-users] Finding Surface tension between two interface Bishnu Acharya
[gmx-users] Finding Surface tension between two interface David van der Spoel
[gmx-users] Finding Surface tension between two interface Bishnu Acharya
[gmx-users] Flat bottom position restraints Sabine Reisser
[gmx-users] Flat bottom position restraints Sabine Reisser
[gmx-users] Flat bottom position restraints Sabine Reisser
[gmx-users] Force field For Protein-Ligand Complex neha bharti
[gmx-users] Force field For Protein-Ligand Complex rajendra kumar
[gmx-users] Force field For Protein-Ligand Complex Justin Lemkul
[gmx-users] Format for nonbonded interactions (pairs) in a residue definition ashish bihani
[gmx-users] free energy calculation: combination of position restraint +refcoord_scaling cause crash during NPT Jin Zhang
[gmx-users] free energy calculation: combination of position restraint +refcoord_scaling cause crash during NPT Justin Lemkul
[gmx-users] free energy calculation: combination of position restraint +refcoord_scaling cause crash during NPT (Justin Lemkul) Jin Zhang
[gmx-users] Free energy calculations with pull code and umbrella sampling Kortzak, Daniel
[gmx-users] Fwd: how to calculate angles (molecules directions) Maryam Kowsar
[gmx-users] Fwd: how to calculate angles (molecules directions) Christopher Neale
[gmx-users] Fwd: how to calculate angles (molecules directions) Maryam Kowsar
[gmx-users] Fwd: how to calculate angles (molecules directions) Christopher Neale
[gmx-users] Fwd: how to calculate angles (molecules directions) Maryam Kowsar
[gmx-users] Fwd: how to calculate angles (molecules directions) Christopher Neale
[gmx-users] Fwd: how to calculate angles (molecules directions) Maryam Kowsar
[gmx-users] Fwd: Odd behavior in log files for two simulations with only different nstlog for Gromacs 5.0.4 Shuxiang Li
[gmx-users] Fwd: Odd behavior in log files for two simulations with only different nstlog for Gromacs 5.0.4 Christopher Neale
[gmx-users] Fwd: Odd behavior in log files for two simulations with only different nstlog for Gromacs 5.0.4 Justin Lemkul
[gmx-users] Fwd: Odd behavior in log files for two simulations with only different nstlog for Gromacs 5.0.4 Mark Abraham
[gmx-users] Fwd: Umbrella sampling Tutorial Fatal Error Nima Soltani
[gmx-users] Fwd: Umbrella sampling Tutorial Fatal Error Mohsen Ramezanpour
[gmx-users] Fwd: Umbrella sampling Tutorial Fatal Error Justin Lemkul
[gmx-users] g_cluster (gromos method) creates clusters with members having RMSD greater than the cutoff to the cluster "middle" Christopher Neale
[gmx-users] g_cluster (gromos method) creates clusters with members having RMSD greater than the cutoff to the cluster "middle" Christopher Neale
[gmx-users] g_MSD results for different sampling intervals Carlos SOTO GARZA
[gmx-users] g_MSD results for different sampling intervals Justin Lemkul
[gmx-users] g_rdf leila salimi
[gmx-users] g_rdf Justin Lemkul
[gmx-users] g_rdf leila salimi
[gmx-users] g_rms with two trajectories Julian
[gmx-users] g_rms with two trajectories Erik Marklund
[gmx-users] g_rms with two trajectories Julian
[gmx-users] g_rms with two trajectories Erik Marklund
[gmx-users] g_rms with two trajectories Smith, Micholas D.
[gmx-users] g_rms with two trajectories Julian
[gmx-users] GAFF and alkynes Rebeca García Fandiño
[gmx-users] GAFF and alkynes Justin Lemkul
[gmx-users] GAFF and alkynes Rebeca García Fandiño
[gmx-users] GAFF and alkynes Rebeca García Fandiño
[gmx-users] GAFF and alkynes Justin Lemkul
[gmx-users] GAFF and alkynes (Justin Lemkul) Rebeca García Fandiño
[gmx-users] GAFF and alkynes (Justin Lemkul) Justin Lemkul
[gmx-users] GMX 5.0 compilation across different platforms David McGiven
[gmx-users] GMX 5.0 compilation across different platforms Szilárd Páll
[gmx-users] GMX 5.0 compilation across different platforms David McGiven
[gmx-users] GNM from .xtc file rajan kumar
[gmx-users] GPU Installation Carmen Di Giovanni
[gmx-users] GPU Installation Mark Abraham
[gmx-users] GPU Installation Carmen Di Giovanni
[gmx-users] GPU low performance Carmen Di Giovanni
[gmx-users] GPU low performance Justin Lemkul
[gmx-users] GPU low performance Carmen Di Giovanni
[gmx-users] GPU low performance Barnett, James W
[gmx-users] GPU low performance Justin Lemkul
[gmx-users] GPU low performance Carmen Di Giovanni
[gmx-users] GPU low performance Carmen Di Giovanni
[gmx-users] GPU low performance Justin Lemkul
[gmx-users] GPU low performance Szilárd Páll
[gmx-users] GPU low performance Szilárd Páll
[gmx-users] GPU low performance Carmen Di Giovanni
[gmx-users] GPU low performance Szilárd Páll
[gmx-users] GPU low performance Szilárd Páll
[gmx-users] GPU low performance Szilárd Páll
[gmx-users] GPU low performance Carmen Di Giovanni
[gmx-users] GPU low performance Carmen Di Giovanni
[gmx-users] GPU low performance Carmen Di Giovanni
[gmx-users] GPU low performance Szilárd Páll
[gmx-users] GPU low performance Carmen Di Giovanni
[gmx-users] GPU low performance Szilárd Páll
[gmx-users] GPU low performance Carmen Di Giovanni
[gmx-users] gromacs Abid Channa
[gmx-users] gromacs Abid Channa
[gmx-users] gromacs Christopher Neale
[gmx-users] gromacs Abid Channa
[gmx-users] gromacs Alexander Law
[gmx-users] gromacs Abid Channa
[gmx-users] GROMACS 4.6.7 not running on more than 16 MPI threads Mark Abraham
[gmx-users] GROMACS 4.6.7 not running on more than 16 MPI threads Szilárd Páll
[gmx-users] GROMACS 4.6.7 not running on more than 16 MPI threads Agnivo Gosai
[gmx-users] GROMACS 4.6.7 not running on more than 16 MPI threads Agnivo Gosai
[gmx-users] GROMACS 4.6.7 not running on more than 16 MPI threads Agnivo Gosai
[gmx-users] Gromacs in windows 7 with GPU 라지브간디
[gmx-users] Gromacs in windows 7 with GPU Mirco Wahab
[gmx-users] Gromacs's FTP site problems Silvio a Beccara
[gmx-users] Gromacs's FTP site problems Mark Abraham
[gmx-users] gromacs.org_gmx-users Digest, Vol 130, Issue 12 Xia, Xiaole
[gmx-users] gromacs.org_gmx-users Digest, Vol 130, Issue 12 Mark Abraham
[gmx-users] gromacs_win32.zip CPU version: All MS_Windows version: XP/NT/95 Libraries: Static Size: 17633280 FFTW version: 2.1.3 MPI support: no Installation prefix: customizable Comments: This is an unsupported native port of Gromacs to MS Windows. Start setup.exe after you have extracted all files. Note that you will have to specify the location of cpp in your mdp files - I\'ve included a free cpp in the gromacs binary directory. Contributed by: Erik Lindahl (lindahl at gromacs.org) Vasiliy Znamenskiy
[gmx-users] gromacs_win32.zip CPU version: All MS_Windows version: XP/NT/95 Libraries: Static Size: 17633280 FFTW version: 2.1.3 MPI support: no Installation prefix: customizable Comments: This is an unsupported native port of Gromacs to MS Windows. Start setup.exe after you have extracted all files. Note that you will have to specify the location of cpp in your mdp files - I\'ve included a free cpp in the gromacs binary directory. Contributed by: Erik Lindahl (lindahl at gromacs.org) ms
[gmx-users] GROMOS vs. CHARMM dihedrals Bianca Villavicencio
[gmx-users] GROMOS vs. CHARMM dihedrals Justin Lemkul
[gmx-users] GTX980 performance Carmen Di Giovanni
[gmx-users] GTX980 performance Szilárd Páll
[gmx-users] GTX980 performance Carmen Di Giovanni
[gmx-users] GTX980 performance Carmen Di Giovanni
[gmx-users] H-Bonding residues against specific frames Agnivo Gosai
[gmx-users] H-Bonding residues against specific frames Justin Lemkul
[gmx-users] Heads up on Intel MPI 5.0.1.035 bug in mpigcc causing cmake problems Åke Sandgren
[gmx-users] Heads up on Intel MPI 5.0.1.035 bug in mpigcc causing cmake problems Åke Sandgren
[gmx-users] Heads up on Intel MPI 5.0.1.035 bug in mpigcc causing cmake problems Szilárd Páll
[gmx-users] Heating a wall adjacent to the fluid Rahul Chatterjee
[gmx-users] Heating a wall adjacent to the fluid Justin Lemkul
[gmx-users] Helicity shivangi nangia
[gmx-users] Helicity Diogo Vila Viçosa
[gmx-users] Helicity shivangi nangia
[gmx-users] Helicity Diogo Vila Viçosa
[gmx-users] Helicity Justin Lemkul
[gmx-users] Helicity shivangi nangia
[gmx-users] hello every one rajan kumar
[gmx-users] help to select a faster system for gromacs MD runs SAKO MIRZAIE
[gmx-users] Hope this can help someone using REMD in Gromacs jia jia
[gmx-users] How do we calculate free energy of simulated protein Seera Suryanarayana
[gmx-users] How do we calculate free energy of simulated protein ms
[gmx-users] How I extend command Abid Channa
[gmx-users] How I extend command Rohit Farmer
[gmx-users] How I extend command? Abid Channa
[gmx-users] How I extend command? Chandan Choudhury
[gmx-users] how to calculate angles (molecules directions) Maryam Kowsar
[gmx-users] HOW TO CONVERT .XTC FILE TO DCD FORMAT rajan kumar
[gmx-users] HOW TO CONVERT .XTC FILE TO DCD FORMAT Guillaume Chevrot
[gmx-users] HOW TO CONVERT .XTC FILE TO DCD FORMAT Justin Lemkul
[gmx-users] HOW TO CONVERT .XTC FILE TO DCD FORMAT Spyridon Vicatos
[gmx-users] HOW TO CONVERT .XTC FILE TO DCD FORMAT rajan kumar
[gmx-users] How to examine our created topology Faezeh Pousaneh
[gmx-users] How to examine our created topology Faezeh Pousaneh
[gmx-users] How to examine our created topology Justin Lemkul
[gmx-users] How to examine our created topology Faezeh Pousaneh
[gmx-users] How to examine our created topology Justin Lemkul
[gmx-users] How to examine our created topology Faezeh Pousaneh
[gmx-users] How to examine our created topology Faezeh Pousaneh
[gmx-users] How to examine our created topology Justin Lemkul
[gmx-users] How to examine our created topology Faezeh Pousaneh
[gmx-users] How to perform simulation between initial and final structures ananyachatterjee
[gmx-users] How to recover the .xtc from wrong operation 'dos2unix' Justin Lemkul
[gmx-users] How to recover the .xtc from wrong operation 'dos2unix' Xia, Xiaole
[gmx-users] How to reply a message? Igor Shchechkin
[gmx-users] How to reply a message? Justin Lemkul
[gmx-users] Imidazolium ring opening during energy minimization Meena Singh
[gmx-users] Imidazolium ring opening during energy minimization Justin Lemkul
[gmx-users] insert-molecules module Mark Abraham
[gmx-users] Insertion of a carbon nanotube in a system soumadwip ghosh
[gmx-users] Insertion of a carbon nanotube in a system Justin Lemkul
[gmx-users] Insufficient disk space error salam pradeep
[gmx-users] Insufficient disk space error Mark Abraham
[gmx-users] Larger simulation times because of many [ pairs ]? Fernando Yrazu
[gmx-users] Larger simulation times because of many [ pairs ]? Mark Abraham
[gmx-users] lower Area per lipid for DPPC with CHARMM36 tarak karmakar
[gmx-users] lower Area per lipid for DPPC with CHARMM36 Justin Lemkul
[gmx-users] lower Area per lipid for DPPC with CHARMM36 tarak karmakar
[gmx-users] lower Area per lipid for DPPC with CHARMM36 tarak karmakar
[gmx-users] make_ndx selection of backbone residues 라지브간디
[gmx-users] make_ndx selection of backbone residues Christopher Neale
[gmx-users] MD run failed.. Kalyanashis Jana
[gmx-users] MD run failed.. Kalyanashis Jana
[gmx-users] MD run failed.. Justin Lemkul
[gmx-users] MD run failed.. HANNIBAL LECTER
[gmx-users] MD run failed.. Justin Lemkul
[gmx-users] MD run failed.. HANNIBAL LECTER
[gmx-users] mdrun -nsteps Sabine Reisser
[gmx-users] mdrun -nsteps Tsjerk Wassenaar
[gmx-users] mdrun -nsteps Mark Abraham
[gmx-users] mdrun -nsteps Sabine Reisser
[gmx-users] mdrun crash rahul dhakne
[gmx-users] mdrun crash Justin Lemkul
[gmx-users] merge group BIRD
[gmx-users] merge group Justin Lemkul
[gmx-users] modified residues and residual charge Harry Mark Greenblatt
[gmx-users] msd calculation mah maz
[gmx-users] multiple ligands topology Jennifer Vo
[gmx-users] multiple ligands topology Justin Lemkul
[gmx-users] multiple ligands topology Jennifer Vo
[gmx-users] multiple ligands topology Justin Lemkul
[gmx-users] multiple ligands topology Jennifer Vo
[gmx-users] multiple ligands topology Justin Lemkul
[gmx-users] multiple ligands topology Jennifer Vo
[gmx-users] multiple ligands topology Justin Lemkul
[gmx-users] multiple ligands topology Jennifer Vo
[gmx-users] Need of mdp files Antara mazumdar
[gmx-users] Need of mdp files Justin Lemkul
[gmx-users] New web server for setup of membrane simulation systems Jochen Hub
[gmx-users] ngmx tools asasa qsqs
[gmx-users] ngmx tools Justin Lemkul
[gmx-users] no residue type with Amber99SB-ILDN ff Ahmet yıldırım
[gmx-users] no residue type with Amber99SB-ILDN ff Mark Abraham
[gmx-users] no residue type with Amber99SB-ILDN ff Ahmet yıldırım
[gmx-users] no residue type with Amber99SB-ILDN ff Justin Lemkul
[gmx-users] no residue type with Amber99SB-ILDN ff Ahmet yıldırım
[gmx-users] no residue type with Amber99SB-ILDN ff Justin Lemkul
[gmx-users] no residue type with Amber99SB-ILDN ff Ahmet yıldırım
[gmx-users] no residue type with Amber99SB-ILDN ff Justin Lemkul
[gmx-users] no residue type with Amber99SB-ILDN ff Ahmet yıldırım
[gmx-users] NVIDIA GTX cards in Rackable servers, how do you do it ? David McGiven
[gmx-users] NVIDIA GTX cards in Rackable servers, how do you do it ? Szilárd Páll
[gmx-users] NVIDIA GTX cards in Rackable servers, how do you do it ? David McGiven
[gmx-users] NVIDIA GTX cards in Rackable servers, how do you do it ? Harry Mark Greenblatt
[gmx-users] NVIDIA GTX cards in Rackable servers, how do you do it ? David McGiven
[gmx-users] NVIDIA GTX cards in Rackable servers, how do you do it ? Harry Mark Greenblatt
[gmx-users] NVIDIA GTX cards in Rackable servers, how do you do it ? Justin Lemkul
[gmx-users] NVIDIA GTX cards in Rackable servers, how do you do it ? Szilárd Páll
[gmx-users] NVIDIA GTX cards in Rackable servers, how do you do it ? Szilárd Páll
[gmx-users] NVIDIA GTX cards in Rackable servers, how do you do it ? Szilárd Páll
[gmx-users] NVIDIA GTX cards in Rackable servers, how do you do it ? David McGiven
[gmx-users] NVIDIA GTX cards in Rackable servers, how do you do it ? Téletchéa Stéphane
[gmx-users] NVIDIA GTX cards in Rackable servers, how do you do it ? Szilárd Páll
[gmx-users] NVIDIA GTX cards in Rackable servers, how do you do it ? Téletchéa Stéphane
[gmx-users] NVIDIA GTX cards in Rackable servers, how do you do it ? Harry Mark Greenblatt
[gmx-users] NVT step asasa qsqs
[gmx-users] NVT step Justin Lemkul
[gmx-users] On the collective dynamics in terms of NMA and PCA James Starlight
[gmx-users] On the collective dynamics in terms of NMA and PCA Tsjerk Wassenaar
[gmx-users] On the collective dynamics in terms of NMA and PCA Tsjerk Wassenaar
[gmx-users] On the collective dynamics in terms of NMA and PCA James Starlight
[gmx-users] On the collective dynamics in terms of NMA and PCA Tsjerk Wassenaar
[gmx-users] pdb2gmx question - protonation Agnivo Gosai
[gmx-users] pdb2gmx question - protonation Justin Lemkul
[gmx-users] Peptide-membrane simulation force field parameters tarak karmakar
[gmx-users] Peptide-membrane simulation force field parameters Justin Lemkul
[gmx-users] Peptide-membrane simulation force field parameters tarak karmakar
[gmx-users] pH during free energy calculation vivek sharma
[gmx-users] pH during free energy calculation Justin Lemkul
[gmx-users] Plz help File input/output error: Cannot write trajectory frame; salam pradeep
[gmx-users] Position restraints and free energy calculations Kortzak, Daniel
[gmx-users] Position restraints and free energy calculations Justin Lemkul
[gmx-users] Position restraints and free energy calculations Kortzak, Daniel
[gmx-users] pressure simulation along the z-axis felipe zapata
[gmx-users] pressure simulation along the z-axis Justin Lemkul
[gmx-users] Problem executing do_dssp in gromacs Aarti rana
[gmx-users] Problem executing do_dssp in gromacs Justin Lemkul
[gmx-users] Problem executing do_dssp in gromacs Aarti rana
[gmx-users] Problem executing do_dssp in gromacs Justin Lemkul
[gmx-users] Problem executing do_dssp in gromacs Justin Lemkul
[gmx-users] Problem executing do_dssp in gromacs Aarti rana
[gmx-users] Problem executing do_dssp in gromacs Justin Lemkul
[gmx-users] Problem executing do_dssp in gromacs Aarti rana
[gmx-users] Problem executing do_dssp in gromacs Justin Lemkul
[gmx-users] Problem executing do_dssp in gromacs Aarti rana
[gmx-users] Problem executing do_dssp in gromacs Justin Lemkul
[gmx-users] Problem in new version of Gromacs 5.0 Faezeh Pousaneh
[gmx-users] Problem in new version of Gromacs 5.0 Faezeh Pousaneh
[gmx-users] Problem in new version of Gromacs 5.0 Justin Lemkul
[gmx-users] Problem in new version of Gromacs 5.0 Faezeh Pousaneh
[gmx-users] Problem in new version of Gromacs 5.0 Mark Abraham
[gmx-users] Problem in new version of Gromacs 5.0 Faezeh Pousaneh
[gmx-users] Problem in new version of Gromacs 5.0 Mark Abraham
[gmx-users] problem installing gromacs- libcurl Marcello Cammarata
[gmx-users] problem installing gromacs- libcurl Marcello Cammarata
[gmx-users] Problem with 5.0.4 build Jim Tuccillo
[gmx-users] Problem with 5.0.4 build Mark Abraham
[gmx-users] Problem with Lysozyme in Water Tutorial Stephen P. Molnar
[gmx-users] Problem with Lysozyme in Water Tutorial HANNIBAL LECTER
[gmx-users] Problem with Lysozyme in Water Tutorial HANNIBAL LECTER
[gmx-users] Problem with Lysozyme in Water Tutorial Justin Lemkul
[gmx-users] Problem with Lysozyme in Water Tutorial Stephen P. Molnar
[gmx-users] Problem with Lysozyme in Water Tutorial Justin Lemkul
[gmx-users] Problem with Lysozyme in Water Tutorial Stephen P. Molnar
[gmx-users] Problems Running Gromacs v-5.0.4 Stephen P. Molnar
[gmx-users] Problems Running Gromacs v-5.0.4 Stephen P. Molnar
[gmx-users] Problems Running Gromacs v-5.0.4 Justin Lemkul
[gmx-users] Problems Running Gromacs v-5.0.4 Stephen P. Molnar
[gmx-users] q-bio Summer School 2015 Christoph Junghans
[gmx-users] Query regarding gaps between lipid molecules in a heterogenous system of 1464 dopc and dopg Antara mazumdar
[gmx-users] Query regarding gaps between lipid molecules in a heterogenous system of 1464 dopc and dopg Justin Lemkul
[gmx-users] Query regarding gaps between lipid molecules in a heterogenous system of 1464 dopc and dopg Agnivo Gosai
[gmx-users] Query regarding gaps between lipid molecules in a heterogenous system of 1464 dopc and dopg Justin Lemkul
[gmx-users] Query regarding generation of gaps between lipid molecules after minimisation even after using position restraints Antara mazumdar
[gmx-users] Query regarding generation of gaps between lipid molecules after minimisation even after using position restraints Justin Lemkul
[gmx-users] Question on forcefields? sujithkakkat .
[gmx-users] Question on forcefields? Yuri Garmay
[gmx-users] Questions regarding usage of the covariance analysis James Starlight
[gmx-users] Questions regarding usage of the covariance analysis James Starlight
[gmx-users] Questions regarding usage of the covariance analysis Justin Lemkul
[gmx-users] Re : GROMACS 4.6.7 not running on more than 16 MPI threads Agnivo Gosai
[gmx-users] Re : GROMACS 4.6.7 not running on more than 16 MPI threads Szilárd Páll
[gmx-users] Re : Re : GROMACS 4.6.7 not running on more than 16 MPI threads Agnivo Gosai
[gmx-users] Re; calculating interaction energies of dimers and ligand Justin Lemkul
[gmx-users] Re;calculating interaction energies of dimers and ligand 라지브간디
[gmx-users] Re;calculating interaction energies of dimers and ligand RJ
[gmx-users] Regarding DSSP HANNIBAL LECTER
[gmx-users] Regarding DSSP Justin Lemkul
[gmx-users] Regarding DSSP HANNIBAL LECTER
[gmx-users] Regarding DSSP Justin Lemkul
[gmx-users] Regarding DSSP HANNIBAL LECTER
[gmx-users] Regarding DSSP Justin Lemkul
[gmx-users] Regarding DSSP HANNIBAL LECTER
[gmx-users] Regarding DSSP Justin Lemkul
[gmx-users] Regarding DSSP HANNIBAL LECTER
[gmx-users] Regarding DSSP Justin Lemkul
[gmx-users] Regarding DSSP HANNIBAL LECTER
[gmx-users] Regarding DSSP Justin Lemkul
[gmx-users] Regarding DSSP HANNIBAL LECTER
[gmx-users] Regarding DSSP Mark Abraham
[gmx-users] Regarding RDF calculations soumadwip ghosh
[gmx-users] Regarding RDF calculations Justin Lemkul
[gmx-users] REMD: mdrun_mpi crash with segmentation fault (but mpi is working) Felipe Villanelo
[gmx-users] REMD: mdrun_mpi crash with segmentation fault (but mpi is working) Felipe Villanelo
[gmx-users] REMD: mdrun_mpi crash with segmentation fault (but mpi is working) Mark Abraham
[gmx-users] REMD: mdrun_mpi crash with segmentation fault (but mpi is working) Justin Lemkul
[gmx-users] residues in force fields Mark Abraham
[gmx-users] Salt bridge calculation using GROMACS analysis tools Agnivo Gosai
[gmx-users] sampling techniques when calculating diffusion coefficients using Green-Kubo Ying Chen
[gmx-users] screen output and total drift Ahmet yıldırım
[gmx-users] Semiisotropic pressure coupling shivangi nangia
[gmx-users] Semiisotropic pressure coupling Justin Lemkul
[gmx-users] Semiisotropic pressure coupling shivangi nangia
[gmx-users] Semiisotropic pressure coupling shivangi nangia
[gmx-users] Semiisotropic pressure coupling Christopher Neale
[gmx-users] Semiisotropic pressure coupling Justin Lemkul
[gmx-users] Semiisotropic pressure coupling Justin Lemkul
[gmx-users] Semiisotropic pressure coupling shivangi nangia
[gmx-users] Semiisotropic pressure coupling Thomas Piggot
[gmx-users] Semiisotropic pressure coupling Piggot T.
[gmx-users] Semiisotropic pressure coupling Justin Lemkul
[gmx-users] Semiisotropic pressure coupling Justin Lemkul
[gmx-users] Semiisotropic pressure coupling shivangi nangia
[gmx-users] Semiisotropic pressure coupling Justin Lemkul
[gmx-users] Semiisotropic pressure coupling Christopher Neale
[gmx-users] Semiisotropic pressure coupling shivangi nangia
[gmx-users] Semiisotropic pressure coupling Justin Lemkul
[gmx-users] Semiisotropic pressure coupling shivangi nangia
[gmx-users] Semiisotropic pressure coupling Justin Lemkul
[gmx-users] Semiisotropic pressure coupling Justin Lemkul
[gmx-users] Semiisotropic pressure coupling shivangi nangia
[gmx-users] Semiisotropic pressure coupling Justin Lemkul
[gmx-users] Semiisotropic pressure coupling shivangi nangia
[gmx-users] Semiisotropic pressure coupling shivangi nangia
[gmx-users] Semiisotropic pressure coupling tarak karmakar
[gmx-users] Semiisotropic pressure coupling Justin Lemkul
[gmx-users] Semiisotropic pressure coupling Justin Lemkul
[gmx-users] Semiisotropic pressure coupling tarak karmakar
[gmx-users] several runs mah maz
[gmx-users] several runs mah maz
[gmx-users] several runs Justin Lemkul
[gmx-users] several runs mah maz
[gmx-users] several runs Mark Abraham
[gmx-users] several runs Victor Rosas Garcia
[gmx-users] several runs Szilárd Páll
[gmx-users] several runs Szilárd Páll
[gmx-users] several runs mah maz
[gmx-users] Significant differences in Ewald Vs PME for clay sheet Gaurav Goel
[gmx-users] simulation of heme along with h2o2 Sanchaita Rajkhowa
[gmx-users] simulation of heme along with h2o2 Justin Lemkul
[gmx-users] simulation of heme along with h2o2 Sanchaita Rajkhowa
[gmx-users] simulation of heme along with h2o2 Sanchaita Rajkhowa
[gmx-users] simulation of heme along with h2o2 Justin Lemkul
[gmx-users] simulation of heme along with h2o2 Justin Lemkul
[gmx-users] Simulation of polarizable Carbon nanotubes Jashimuddin Ashraf
[gmx-users] Simulation of polarizable Carbon nanotubes Justin Lemkul
[gmx-users] Simulation of polarizable Carbon nanotubes Jashimuddin Ashraf
[gmx-users] Simulation of polarizable Carbon nanotubes Peter Kroon
[gmx-users] Simulation of polarizable Carbon nanotubes Justin Lemkul
[gmx-users] single strand DNA in hairpin conformation Urszula Uciechowska
[gmx-users] single strand DNA in hairpin conformation Erik Marklund
[gmx-users] special coulombic interaction in 1-3 atoms (bonded atoms) Ting Zheng
[gmx-users] special coulombic interaction in 1-3 atoms (bonded atoms) Mark Abraham
[gmx-users] template.cpp compilation problem with Gromacs 5.0.4 Milton Sonoda
[gmx-users] template.cpp compilation problem with Gromacs 5.0.4 Milton Sonoda
[gmx-users] the issue of calculation of viscosity with NEMD 陈思言
[gmx-users] the issue of calculation of viscosity with NEMD David van der Spoel
[gmx-users] topolbuild error Zahra Ghanbari
[gmx-users] topolbuild error Ray, Bruce D
[gmx-users] topolbuild error Zahra Ghanbari
[gmx-users] topolbuild error Ray, Bruce D
[gmx-users] topology and parameter set up Jennifer Vo
[gmx-users] topology and parameter set up Justin Lemkul
[gmx-users] topology and parameter set up Jennifer Vo
[gmx-users] topology and parameter set up Justin Lemkul
[gmx-users] trajectory tools don't work with large .xtc / .trr files Rafael R. Pappalardo
[gmx-users] trajectory tools don't work with large .xtc / .trr files Mark Abraham
[gmx-users] trajectory tools don't work with large .xtc / .trr files Wojciech Kopeć
[gmx-users] Umbrella Samling Alteration Alexander Law
[gmx-users] Umbrella Samling Alteration Justin Lemkul
[gmx-users] Umbrella Samling Alteration Alexander Law
[gmx-users] Umbrella Samling Alteration Justin Lemkul
[gmx-users] Umbrella Samling Alteration Alexander Law
[gmx-users] Umbrella Samling Alteration Justin Lemkul
[gmx-users] Umbrella Sampling and Histogram Agnivo Gosai
[gmx-users] Umbrella Sampling and Histogram Justin Lemkul
[gmx-users] Umbrella Sampling and Histogram Agnivo Gosai
[gmx-users] Umbrella Sampling and Histogram Agnivo Gosai
[gmx-users] Umbrella Sampling and histograms smoothness Agnivo Gosai
[gmx-users] Umbrella Sampling and histograms smoothness Justin Lemkul
[gmx-users] Umbrella Sampling and histograms smoothness Agnivo Gosai
[gmx-users] Umbrella Sampling and histograms smoothness Justin Lemkul
[gmx-users] Umbrella Sampling and histograms smoothness lloyd riggs
[gmx-users] Umbrella Sampling Dissociation Constant Alexander Law
[gmx-users] Umbrella Sampling Dissociation Constant Alexander Law
[gmx-users] Umbrella sampling restraining potential Agnivo Gosai
[gmx-users] Umbrella sampling restraining potential Justin Lemkul
[gmx-users] Umbrella sampling Tutorial Fatal Error Nima Soltani
[gmx-users] Unable to install gromacs Seera Suryanarayana
[gmx-users] Unable to install gromacs Mark Abraham
[gmx-users] User Defined walls and Potential Karnesh Jain
[gmx-users] Using "pairs" type 2 Liel Sapir
[gmx-users] Using g_mindist for calculating hydrophobic interaction between protein and ligand Agnivo Gosai
[gmx-users] Using g_mindist for calculating hydrophobic interaction between protein and ligand Justin Lemkul
[gmx-users] Variable force constant in umbrella sampling Kortzak, Daniel
[gmx-users] Variable force constant in umbrella sampling Christopher Neale
[gmx-users] Variable force constant in umbrella sampling Kortzak, Daniel
[gmx-users] Various errors in pulling simulations Tim Stauch
[gmx-users] Various errors in pulling simulations Justin Lemkul
[gmx-users] Virtual sites and diffusion coefficients. sujithkakkat .
[gmx-users] Virtual sites and diffusion coefficients. Mark Abraham
[gmx-users] Virtual sites and diffusion coefficients. sujithkakkat .
[gmx-users] Virtual sites and diffusion coefficients. Justin Lemkul
[gmx-users] What is wrong with enthalpy? Igor Shchechkin
[gmx-users] What is wrong with enthalpy? David van der Spoel
[gmx-users] What is wrong with enthalpy? Igor Shchechkin

Last message date: Sat Feb 28 21:16:11 CET 2015
Archived on: Sat Feb 28 21:16:13 CET 2015

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