August 2014 Archives by thread

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Starting: Fri Aug 1 03:15:28 CEST 2014
Ending: Sun Aug 31 23:15:01 CEST 2014
Messages: 798

• [gmx-users] hints for core/shell optimization?   Justin Lemkul
  • [gmx-users] hints for core/shell optimization?   Tamas Karpati
    • [gmx-users] hints for core/shell optimization?   Justin Lemkul
• [gmx-users] How to modify the rtp file for graphene?   Andy Chao
  • [gmx-users] How to modify the rtp file for graphene?   Justin Lemkul
• [gmx-users] g_tcaf error message   Andy Chao
  • [gmx-users] g_tcaf error message   Justin Lemkul
• [gmx-users] g_select position variables   Cara Kreck
• [gmx-users] Error occurs when compiling gromacs using vtcc   Theodore Si
• [gmx-users] Steve   xiexiaobin at sjtu.edu.cn
  • [gmx-users] Steve   Mark Abraham
• [gmx-users] gromacs.org_gmx-users Digest, Vol 123, Issue 139   Cyrus Djahedi
• [gmx-users] glucosidic angles   Cyrus Djahedi
  • [gmx-users] glucosidic angles   Justin Lemkul
• [gmx-users] Can I expect numerical reproducibility between Gromacs 4.6 and Gromacs 5   ms
  • [gmx-users] Can I expect numerical reproducibility between Gromacs 4.6 and Gromacs 5   Mark Abraham
• [gmx-users] Error in methanol simulation   Deepak Ojha
  • [gmx-users] Error in methanol simulation   Justin Lemkul
  • [gmx-users] Error in methanol simulation   Dr. Vitaly Chaban
• [gmx-users] Any way to use GROMACS 4.6.x and 5 together   Bin Liu
  • [gmx-users] Any way to use GROMACS 4.6.x and 5 together   Justin Lemkul
  • [gmx-users] Any way to use GROMACS 4.6.x and 5 together   massimo sandal
    • [gmx-users] Any way to use GROMACS 4.6.x and 5 together   Tamas Karpati
      • [gmx-users] Any way to use GROMACS 4.6.x and 5 together   Mark Abraham
      • [gmx-users] Any way to use GROMACS 4.6.x and 5 together   Tamas Karpati
• [gmx-users] Error during Energy minimization   Deepak Ojha
  • [gmx-users] Error during Energy minimization   Justin Lemkul
• [gmx-users] Licam Fe parameters   Nikolaos Michelarakis
• [gmx-users] Multiple parameter entries in itp with the same name   Andrew DeYoung
  • [gmx-users] Multiple parameter entries in itp with the same name   Justin Lemkul
    • [gmx-users] Multiple parameter entries in itp with the same name   Mark Abraham
• [gmx-users] hints for core/shell optimization? (Tamas Karpati)   Mikhail Stukan
• [gmx-users] g_membed error - Trying to remove more lipid molecules than there are in the membrane   Carlos Navarrro Retamal
  • [gmx-users] g_membed error - Trying to remove more lipid molecules than there are in the membrane   Carlos Navarrro Retamal
• [gmx-users] Problem with g_chi options   Florian Sittel
• [gmx-users] Error with tabulated potential and tip4p water model   Udaya Dahal
  • [gmx-users] Error with tabulated potential and tip4p water model   Mark Abraham
    • [gmx-users] Error with tabulated potential and tip4p water model   Udaya Dahal
      • [gmx-users] Error with tabulated potential and tip4p water model   Mark Abraham
      • [gmx-users] Error with tabulated potential and tip4p water model   Udaya Dahal
• [gmx-users] Output help   Marco Rougeth
  • [gmx-users] Output help   Victor Rosas Garcia
  • [gmx-users] Output help   Justin Lemkul
    • [gmx-users] Output help   Marco Rougeth
      • [gmx-users] Output help   Mark Abraham
      • [gmx-users] Output help   Marco Rougeth
      • [gmx-users] Output help   Marco Rougeth
• [gmx-users] Gromacs help   Tuhin Samanta
  • [gmx-users] Gromacs help   Tsjerk Wassenaar
    • [gmx-users] Gromacs help   Tuhin Samanta
• [gmx-users] Using g_dipoles to calculate dipole auto-correlation function   James Zhu
• [gmx-users] Error in inflategro.pl   neha bharti
  • [gmx-users] Error in inflategro.pl   Justin Lemkul
• [gmx-users] Graphene topology file   #SUKRITI GUPTA#
  • [gmx-users] Graphene topology file   Justin Lemkul
• [gmx-users] pressure of NPT simulation after NVT simulation   ibrahim khalil
  • [gmx-users] pressure of NPT simulation after NVT simulation   Justin Lemkul
• [gmx-users] Warning in the Tabulated potential.   Udaya Dahal
• [gmx-users] Protein simulation including ligand with Fe(III)   Nikolaos Michelarakis
  • [gmx-users] Protein simulation including ligand with Fe(III)   Justin Lemkul
• [gmx-users] pdb2gmx cannot generate the right residue and atom numbers   WH
  • [gmx-users] pdb2gmx cannot generate the right residue and atom numbers   João Martins
  • [gmx-users] pdb2gmx cannot generate the right residue and atom numbers   Mark Abraham
• [gmx-users] Performance of beowulf cluster   Abhishek Acharya
  • [gmx-users] Performance of beowulf cluster   Mirco Wahab
  • [gmx-users] Performance of beowulf cluster   Szilárd Páll
    • [gmx-users] Performance of beowulf cluster   Abhi Acharya
      • [gmx-users] Performance of beowulf cluster   Szilárd Páll
      • [gmx-users] Performance of beowulf cluster   Abhi Acharya
• [gmx-users] Error while running InflateGRO File   neha bharti
  • [gmx-users] Error while running InflateGRO File   Justin Lemkul
• [gmx-users] Why is there a NxN VdW [F] on a separate line?   Theodore Si
  • [gmx-users] Why is there a NxN VdW [F] on a separate line?   Mark Abraham
    • [gmx-users] Why is there a NxN VdW [F] on a separate line?   Theodore Si
      • [gmx-users] Why is there a NxN VdW [F] on a separate line?   Theodore Si
      • [gmx-users] Why is there a NxN VdW [F] on a separate line?   Mark Abraham
• [gmx-users] Umbrella Sampling - no PMF plateau   Steven Neumann
  • [gmx-users] Umbrella Sampling - no PMF plateau   Brian Yoo
    • [gmx-users] Umbrella Sampling - no PMF plateau   Steven Neumann
• [gmx-users] error when trying to continue a simulation   Sudharsan Sridharan
  • [gmx-users] error when trying to continue a simulation   Mark Abraham
• [gmx-users] charged & uncharged ligand   shahab shariati
  • [gmx-users] charged & uncharged ligand   Justin Lemkul
• [gmx-users] Protein simulation including ligand with Fe(III)   Nikolaos Michelarakis
  • [gmx-users] Protein simulation including ligand with Fe(III)   Justin Lemkul
• [gmx-users] treatment of electrostatics in vaccum   Sanku M
  • [gmx-users] treatment of electrostatics in vaccum   Justin Lemkul
    • [gmx-users] treatment of electrostatics in vaccum   Erik Marklund
• [gmx-users] a gromacs feature to do TMD like simulation   mahboobe sadr
• [gmx-users] (no subject)   Balasubramanian Suriyanarayanan
  • [gmx-users] (no subject)   Justin Lemkul
• [gmx-users] Cluster size and aggregation number calculation   Praveen Kumar
  • [gmx-users] Cluster size and aggregation number calculation   Justin Lemkul
• [gmx-users] Simulation of Glass Surfaces?   AJ Lanphere
  • [gmx-users] Simulation of Glass Surfaces?   AJ Lanphere
  • [gmx-users] Simulation of Glass Surfaces?   Justin Lemkul
    • [gmx-users] Simulation of Glass Surfaces?   AJ Lanphere
      • [gmx-users] Simulation of Glass Surfaces?   Justin Lemkul
      • [gmx-users] Simulation of Glass Surfaces?   AJ Lanphere
      • [gmx-users] Simulation of Glass Surfaces?   Justin Lemkul
      • [gmx-users] Simulation of Glass Surfaces?   AJ Lanphere
      • [gmx-users] Simulation of Glass Surfaces?   Justin Lemkul
      • [gmx-users] Simulation of Glass Surfaces?   AJ Lanphere
• [gmx-users] Fwd: k.sunny wants to share a link | Gromacs   sunny rajapal
• [gmx-users] New residue in FF does not bond to others.   Dawid das
  • [gmx-users] New residue in FF does not bond to others.   Justin Lemkul
  • [gmx-users] New residue in FF does not bond to others.   Justin Lemkul
    • [gmx-users] New residue in FF does not bond to others.   Dawid das
      • [gmx-users] New residue in FF does not bond to others.   Dawid das
      • [gmx-users] New residue in FF does not bond to others.   Justin Lemkul
      • [gmx-users] New residue in FF does not bond to others.   Dawid das
      • [gmx-users] New residue in FF does not bond to others.   Justin Lemkul
      • [gmx-users] New residue in FF does not bond to others.   Dawid das
      • [gmx-users] New residue in FF does not bond to others.   Justin Lemkul
      • [gmx-users] New residue in FF does not bond to others.   Dawid das
      • [gmx-users] New residue in FF does not bond to others.   Justin Lemkul
      • [gmx-users] New residue in FF does not bond to others.   Dawid das
      • [gmx-users] New residue in FF does not bond to others.   Justin Lemkul
      • [gmx-users] New residue in FF does not bond to others.   Dawid das
      • [gmx-users] New residue in FF does not bond to others.   Justin Lemkul
      • [gmx-users] New residue in FF does not bond to others.   Dawid das
• [gmx-users] GBSA + infinite cutoff + GPU in GMX5?   Sandeep Somani
  • [gmx-users] GBSA + infinite cutoff + GPU in GMX5?   Justin Lemkul
    • [gmx-users] GBSA + infinite cutoff + GPU in GMX5?   Sandeep Somani
• [gmx-users] Normalization In RDF, GROMACS   Haiyang Zhao
• [gmx-users] Restrain the COM of a group of atoms   zifeng li
• [gmx-users] Velocity Distribution Calculation   朱文鹏
  • [gmx-users] Velocity Distribution Calculation   朱文鹏
    • [gmx-users] Velocity Distribution Calculation   Justin Lemkul
• [gmx-users] Error in Ligand position restraints   neha bharti
  • [gmx-users] Error in Ligand position restraints   Justin Lemkul
• [gmx-users] atoms are not part of any of the T-Coupling groups   Nidhi Katyal
  • [gmx-users] atoms are not part of any of the T-Coupling groups   Justin Lemkul
    • [gmx-users] atoms are not part of any of the T-Coupling groups   Nidhi Katyal
      • [gmx-users] atoms are not part of any of the T-Coupling groups   Justin Lemkul
• [gmx-users] Suggestions for Gromacs Perfomance   Dinesh Mali
  • [gmx-users] Suggestions for Gromacs Perfomance   Szilárd Páll
• [gmx-users] Error in system_inflate.gro coordinates does not match   RINU KHATTRI
  • [gmx-users] Error in system_inflate.gro coordinates does not match   RINU KHATTRI
• [gmx-users] Pressures after NPT   ibrahim khalil
  • [gmx-users] Pressures after NPT   Justin Lemkul
• [gmx-users] User-PME   O'Neill, David
  • [gmx-users] User-PME   Mark Abraham
    • [gmx-users] User-PME   O'Neill, David
      • [gmx-users] User-PME   Mark Abraham
• [gmx-users] Protein simulation including ligand with Fe(III)   Nikolaos Michelarakis
  • [gmx-users] Protein simulation including ligand with Fe(III)   Justin Lemkul
• [gmx-users] Protein simulation including ligand with Fe(III)   Nikolaos Michelarakis
  • [gmx-users] Protein simulation including ligand with Fe(III)   Justin Lemkul
• [gmx-users] Any way to use GROMACS 4.6.x and 5 together   Bin Liu
• [gmx-users] Protein simulation including ligand with Fe(III)   Nikolaos Michelarakis
  • [gmx-users] Protein simulation including ligand with Fe(III)   Justin Lemkul
• [gmx-users] gmx 4.6.6: rvdw == rcoulomb for Verlet lists   David Dotson
  • [gmx-users] gmx 4.6.6: rvdw == rcoulomb for Verlet lists   Justin Lemkul
    • [gmx-users] gmx 4.6.6: rvdw == rcoulomb for Verlet lists   David Dotson
• [gmx-users] pdb2gmx cannot generate the right residue and atom numbers   WH
  • [gmx-users] pdb2gmx cannot generate the right residue and atom numbers   Mark Abraham
• [gmx-users] ligand binding   Meenakshi Rajput
  • [gmx-users] ligand binding   Justin Lemkul
  • [gmx-users] ligand binding   Meenakshi Rajput
    • [gmx-users] ligand binding   Justin Lemkul
• [gmx-users] Spherical Averaging (Debye formulation) in SAXS calculation!   Anjaiah Nalaparaju
• [gmx-users] Gromacs 5.0 installation   Fatemeh Dabbagh
  • [gmx-users] Gromacs 5.0 installation   Dan Sponseller
• [gmx-users] How to profile GMX?   Theodore Si
• [gmx-users] how to write in a script?   Albert
  • [gmx-users] how to write in a script?   Chandan Choudhury
    • [gmx-users] how to write in a script?   Albert
      • [gmx-users] how to write in a script?   João Henriques
      • [gmx-users] how to write in a script?   Albert
      • [gmx-users] how to write in a script?   Maurício Menegatti Rigo
      • [gmx-users] how to write in a script?   João Henriques
• [gmx-users] What files should I delete after simulation?   Batdorj Batsaikhan
• [gmx-users] can we use Area per lipid: 1.00 nm^2   neha bharti
  • [gmx-users] can we use Area per lipid: 1.00 nm^2   Justin Lemkul
• [gmx-users] Restrain the COM of a reference group in Umbrella sampling   zifeng li
• [gmx-users] Eigenvalues not saved from gmx covar in GROMACS 5   Steven Morgan
  • [gmx-users] Eigenvalues not saved from gmx covar in GROMACS 5   Justin Lemkul
  • [gmx-users] Eigenvalues not saved from gmx covar in GROMACS 5   Tsjerk Wassenaar
• [gmx-users] Nose-Hoover + Parrinello Rahman reduces density of liquid phase as compared to Berendsen thermostat + barostat   Yip Yew Mun
  • [gmx-users] Nose-Hoover + Parrinello Rahman reduces density of liquid phase as compared to Berendsen thermostat + barostat   Mark Abraham
• [gmx-users] What files do not necessary for analysis?   Batdorj Batsaikhan
• [gmx-users] error with genion   shahab shariati
  • [gmx-users] error with genion   Dallas Warren
  • [gmx-users] error with genion   Tsjerk Wassenaar
• [gmx-users] Are there some environment variables not valid anymore?   Theodore Si
  • [gmx-users] Are there some environment variables not valid anymore?   Justin Lemkul
• [gmx-users] Charmm to gromacs   Abu Naser
  • [gmx-users] Charmm to gromacs   Justin Lemkul
    • [gmx-users] Charmm to gromacs   Abu Naser
      • [gmx-users] Charmm to gromacs   Justin Lemkul
      • [gmx-users] Charmm to gromacs   Abu Naser
      • [gmx-users] Charmm to gromacs   Justin Lemkul
      • [gmx-users] Charmm to gromacs   Abu Naser
• [gmx-users] How to use Gromacs toolkit to analyse streaming velocity profile in NEMD   Junfang.Zhang at csiro.au
• [gmx-users] Can we set the number of pure PME nodes when using GPU&CPU?   Theodore Si
  • [gmx-users] Can we set the number of pure PME nodes when using GPU&CPU?   Mark Abraham
    • [gmx-users] Can we set the number of pure PME nodes when using GPU&CPU?   Theodore Si
      • [gmx-users] Can we set the number of pure PME nodes when using GPU&CPU?   Mark Abraham
      • [gmx-users] Can we set the number of pure PME nodes when using GPU&CPU?   Theodore Si
      • [gmx-users] Can we set the number of pure PME nodes when using GPU&CPU?   Carsten Kutzner
      • [gmx-users] Can we set the number of pure PME nodes when using GPU&CPU?   Mark Abraham
      • [gmx-users] Can we set the number of pure PME nodes when using GPU&CPU?   Theodore Si
      • [gmx-users] Can we set the number of pure PME nodes when using GPU&CPU?   Theodore Si
      • [gmx-users] Can we set the number of pure PME nodes when using GPU&CPU?   Szilárd Páll
      • [gmx-users] Can we set the number of pure PME nodes when using GPU&CPU?   Theodore Si
      • [gmx-users] Can we set the number of pure PME nodes when using GPU&CPU?   Mark Abraham
      • [gmx-users] Can we set the number of pure PME nodes when using GPU&CPU?   Theodore Si
      • [gmx-users] Can we set the number of pure PME nodes when using GPU&CPU?   Mark Abraham
      • [gmx-users] Can we set the number of pure PME nodes when using GPU&CPU?   Theodore Si
      • [gmx-users] Can we set the number of pure PME nodes when using GPU&CPU?   Mark Abraham
      • [gmx-users] Can we set the number of pure PME nodes when using GPU&CPU?   Szilárd Páll
      • [gmx-users] Can we set the number of pure PME nodes when using GPU&CPU?   Theodore Si
      • [gmx-users] Can we set the number of pure PME nodes when using GPU&CPU?   Szilárd Páll
      • [gmx-users] Can we set the number of pure PME nodes when using GPU&CPU?   Xingcheng Lin
      • [gmx-users] Can we set the number of pure PME nodes when using GPU&CPU?   Szilárd Páll
      • [gmx-users] Can we set the number of pure PME nodes when using GPU&CPU?   Theodore Si
• [gmx-users] Positive potential energy during Energy minimization step   neha bharti
  • [gmx-users] Positive potential energy during Energy minimization step   Justin Lemkul
• [gmx-users] can we use AMBER12 FF?   Albert
  • [gmx-users] can we use AMBER12 FF?   Mark Abraham
• [gmx-users] g_wham cycl or periodic   ANDRES ADOLFO ORTEGA GUERRERO
  • [gmx-users] g_wham cycl or periodic   Justin Lemkul
• [gmx-users] Lysozyme-Water Tutorial problem : em.tpr   Agnivo Gosai
  • [gmx-users] Lysozyme-Water Tutorial problem : em.tpr   Justin Lemkul
• [gmx-users] Can I delete trr file?   Batdorj Batsaikhan
  • [gmx-users] Can I delete trr file?   Justin Lemkul
    • [gmx-users] Can I delete trr file?   Batdorj Batsaikhan
    • [gmx-users] Can I delete trr file?   DASARI NAGARAJ
      • [gmx-users] Can I delete trr file?   Mark Abraham
• [gmx-users] gromacs.org_gmx-users Digest, Vol 124, Issue 40   Agnivo Gosai
• [gmx-users] Limiting amount of data Gromacs prints out   Jackson Chief Elk
  • [gmx-users] Limiting amount of data Gromacs prints out   Mark Abraham
• [gmx-users] Regarding simulation analysis and free energy calculation   rama david
  • [gmx-users] Regarding simulation analysis and free energy calculation   Justin Lemkul
• [gmx-users] nvt error   Prajisha Sujaya
  • [gmx-users] nvt error   rama david
  • [gmx-users] nvt error   Justin Lemkul
• [gmx-users] Lennard jones and bonded opls aa parameters for sulfate ions   #SUKRITI GUPTA#
• [gmx-users] martinize.py   shivangi nangia
  • [gmx-users] martinize.py   Tsjerk Wassenaar
    • [gmx-users] martinize.py   Tsjerk Wassenaar
      • [gmx-users] martinize.py   shivangi nangia
• [gmx-users] Problem in Ligand-Protein complex in POPC   neha bharti
  • [gmx-users] Problem in Ligand-Protein complex in POPC   Justin Lemkul
• [gmx-users] potential energy   Meenakshi Rajput
  • [gmx-users] potential energy   Justin Lemkul
  • [gmx-users] potential energy   Meenakshi Rajput
    • [gmx-users] potential energy   Justin Lemkul
    • [gmx-users] potential energy   Meenakshi Rajput
      • [gmx-users] potential energy   Justin Lemkul
      • [gmx-users] potential energy   Meenakshi Rajput
      • [gmx-users] potential energy   Meenakshi Rajput
      • [gmx-users] potential energy   Justin Lemkul
• [gmx-users] Water molecule near protein surface cannot be settled.   Dawid das
  • [gmx-users] Water molecule near protein surface cannot be settled.   Dawid das
    • [gmx-users] Water molecule near protein surface cannot be settled.   Justin Lemkul
      • [gmx-users] Water molecule near protein surface cannot be settled.   Dawid das
      • [gmx-users] Water molecule near protein surface cannot be settled.   Justin Lemkul
      • [gmx-users] Water molecule near protein surface cannot be settled.   Dawid das
      • [gmx-users] Water molecule near protein surface cannot be settled.   Justin Lemkul
      • [gmx-users] Water molecule near protein surface cannot be settled.   Dawid das
      • [gmx-users] Water molecule near protein surface cannot be settled.   Justin Lemkul
      • [gmx-users] Water molecule near protein surface cannot be settled.   Dawid das
      • [gmx-users] Water molecule near protein surface cannot be settled.   Tsjerk Wassenaar
      • [gmx-users] Water molecule near protein surface cannot be settled.   Mark Abraham
      • [gmx-users] Water molecule near protein surface cannot be settled.   Dawid das
• [gmx-users] gromacs.org_gmx-users Digest, Vol 124, Issue 45   Pepe Sapam
• [gmx-users] Command not found after typing g_luck   Kester Wong
  • [gmx-users] Command not found after typing g_luck   Mark Abraham
• [gmx-users] pulling force constant, pulling rate   Sathish Kumar
• [gmx-users] Polymer not diffusing into membrane   Alex s
  • [gmx-users] Polymer not diffusing into membrane   massimo sandal
    • [gmx-users] Polymer not diffusing into membrane   Alex s
      • [gmx-users] Polymer not diffusing into membrane   Justin Lemkul
  • [gmx-users] Membrane simulations   lloyd riggs
    • [gmx-users] Membrane simulations   Victor Rosas Garcia
      • [gmx-users] Membrane simulations   lloyd riggs
• [gmx-users] AVX vs AVX2   Pappu Kumar
  • [gmx-users] AVX vs AVX2   Szilárd Páll
• [gmx-users] Protein-ligand complex energy minimization   Indu Kumari
  • [gmx-users] Protein-ligand complex energy minimization   Justin Lemkul
    • [gmx-users] Protein-ligand complex energy minimization   Indu Kumari
• [gmx-users] Problem in Ligand-Protein complex in POPC   neha bharti
  • [gmx-users] Problem in Ligand-Protein complex in POPC   Justin Lemkul
• [gmx-users] constrain pulling   Lalita Shaki
  • [gmx-users] constrain pulling   Carsten Kutzner
• [gmx-users] Archaeal lipid packages for Gromos 53A6   Wainwright, Josh
  • [gmx-users] Archaeal lipid packages for Gromos 53A6   Justin Lemkul
• [gmx-users] gromacs.org_gmx-users Digest, Vol 124, Issue 55   Wainwright, Josh
  • [gmx-users] Archaeal lipid packages for Gromos 53A6   Justin Lemkul
    • [gmx-users] Archaeal lipid packages for Gromos 53A6   XAvier Periole
• [gmx-users] Iron containing structure simulation crash   Nikolaos Michelarakis
  • [gmx-users] Iron containing structure simulation crash   Justin Lemkul
• [gmx-users] Archaeal lipid packages for Gromos 53A6   Wainwright, Josh
  • [gmx-users] Archaeal lipid packages for CHARMM36   Wainwright, Josh
    • [gmx-users] Archaeal lipid packages for CHARMM36   Justin Lemkul
• [gmx-users] Setting Non-bonded Scaling Constant for Amber FF   Johnny Lu
  • [gmx-users] Setting Non-bonded Scaling Constant for Amber FF   Justin Lemkul
    • [gmx-users] Setting Non-bonded Scaling Constant for Amber FF   Johnny Lu
• [gmx-users] Iron containing structure simulation crash   Nikolaos Michelarakis
  • [gmx-users] Iron containing structure simulation crash   Justin Lemkul
• [gmx-users] gromacs.org_gmx-users Digest, Vol 124, Issue 58   Nikolaos Michelarakis
  • [gmx-users] Iron containing structure simulation crash   Justin Lemkul
• [gmx-users] linking lipid covalently to protein...   Ozbil, Mehmet
  • [gmx-users] linking lipid covalently to protein...   Dr. Vitaly Chaban
• [gmx-users] Polymer not diffusing into membrane   Alex s
  • [gmx-users] Polymer not diffusing into membrane   Justin Lemkul
    • [gmx-users] Polymer not diffusing into membrane   Alex s
      • [gmx-users] Polymer not diffusing into membrane   Justin Lemkul
      • [gmx-users] Polymer not diffusing into membrane   Alex s
      • [gmx-users] Polymer not diffusing into membrane   Justin Lemkul
      • [gmx-users] Polymer not diffusing into membrane   Alex s
• [gmx-users] how to record log file?   Albert
  • [gmx-users] how to record log file?   Kester Wong
    • [gmx-users] how to record log file?   Albert
• [gmx-users] Problem in Ligand-Protein complex in POPC   neha bharti
  • [gmx-users] Problem in Ligand-Protein complex in POPC   Justin Lemkul
• [gmx-users] water dynamics   pratibha kapoor
  • [gmx-users] water dynamics   pratibha kapoor
• [gmx-users] AVX vs AVX2   Szilárd Páll
• [gmx-users] Can I make Free Energy Calculations for Protein and Water System?   Batdorj Batsaikhan
  • [gmx-users] Can I make Free Energy Calculations for Protein and Water System?   Justin Lemkul
• [gmx-users] RMSD graph over time and g_cluster RMSD distribution seem at odds with each other   ms
  • [gmx-users] RMSD graph over time and g_cluster RMSD distribution seem at odds with each other   Tsjerk Wassenaar
    • [gmx-users] RMSD graph over time and g_cluster RMSD distribution seem at odds with each other   ms
      • [gmx-users] RMSD graph over time and g_cluster RMSD distribution seem at odds with each other   Tsjerk Wassenaar
      • [gmx-users] RMSD graph over time and g_cluster RMSD distribution seem at odds with each other   ms
      • [gmx-users] RMSD graph over time and g_cluster RMSD distribution seem at odds with each other   Justin Lemkul
      • [gmx-users] RMSD graph over time and g_cluster RMSD distribution seem at odds with each other   ms
• [gmx-users] error about g_bar   Swapnil Kate
  • [gmx-users] error about g_bar   Justin Lemkul
• [gmx-users] AVX vs AVX2   Bin Liu
• [gmx-users] Archaeal lipid packages for CHARMM36   Wainwright, Josh
  • [gmx-users] Archaeal lipid packages for CHARMM36   Justin Lemkul
• [gmx-users] error about g_bar   Justin Lemkul
  • [gmx-users] error about g_bar   Swapnil Kate
    • [gmx-users] error about g_bar   Justin Lemkul
• [gmx-users] Archaeal lipid packages for CHARMM36   Wainwright, Josh
  • [gmx-users] Archaeal lipid packages for CHARMM36   Justin Lemkul
• [gmx-users] Numerical Stability of Gromacs Implementation   Johnny Lu
  • [gmx-users] Numerical Stability of Gromacs Implementation   Justin Lemkul
  • [gmx-users] Numerical Stability of Gromacs Implementation   Mark Abraham
    • [gmx-users] Numerical Stability of Gromacs Implementation   Johnny Lu
      • [gmx-users] Numerical Stability of Gromacs Implementation   Mark Abraham
      • [gmx-users] Numerical Stability of Gromacs Implementation   Johnny Lu
      • [gmx-users] Numerical Stability of Gromacs Implementation   Mark Abraham
• [gmx-users] Coordinate file for charmm36 POPC   yashita thakur
  • [gmx-users] Coordinate file for charmm36 POPC   Ariel Leong
    • [gmx-users] Coordinate file for charmm36 POPC   yashita thakur
      • [gmx-users] Coordinate file for charmm36 POPC   Justin Lemkul
• [gmx-users] Dihedral Restrain Syntax 4.6   Johnny Lu
  • [gmx-users] Dihedral Restrain Syntax 4.6   Justin Lemkul
    • [gmx-users] Dihedral Restrain Syntax 4.6   Johnny Lu
      • [gmx-users] Dihedral Restrain Syntax 4.6   Johnny Lu
      • [gmx-users] Dihedral Restrain Syntax 4.6   Justin Lemkul
      • [gmx-users] Dihedral Restrain Syntax 4.6   Johnny Lu
      • [gmx-users] Dihedral Restrain Syntax 4.6   Justin Lemkul
• [gmx-users] Membrane simulations   Björn Sommer
• [gmx-users] concatenate NAMD trajectories   Natal Kanaan
  • [gmx-users] concatenate NAMD trajectories   Justin Lemkul
    • [gmx-users] concatenate NAMD trajectories   Natal Kanaan
      • [gmx-users] concatenate NAMD trajectories   Justin Lemkul
      • [gmx-users] concatenate NAMD trajectories   Natal Kanaan
• [gmx-users] Solvent error?   Nikolaos Michelarakis
  • [gmx-users] Solvent error?   Mark Abraham
• [gmx-users] Solvent error? (Mark Abraham)   Nikolaos Michelarakis
  • [gmx-users] Solvent error? (Mark Abraham)   Mark Abraham
    • [gmx-users] Solvent error? (Mark Abraham)   Tomasz Piskorz
• [gmx-users] Gromacs-4.6.6 + openmpi 1.6: no output running in 2 nodes   Elton Carvalho
  • [gmx-users] Gromacs-4.6.6 + openmpi 1.6: no output running in 2 nodes   Mark Abraham
    • [gmx-users] Gromacs-4.6.6 + openmpi 1.6: no output running in 2 nodes   Elton Carvalho
• [gmx-users] FMM in GMX   Smart Eagle
• [gmx-users] do_dssp result over written on the one line   Batdorj Batsaikhan
  • [gmx-users] do_dssp result over written on the one line   Justin Lemkul
    • [gmx-users] do_dssp result over written on the one line   Batdorj Batsaikhan
      • [gmx-users] do_dssp result over written on the one line   Justin Lemkul
• [gmx-users] Solvent error?   Nikolaos Michelarakis
  • [gmx-users] Solvent error?   Mark Abraham
• [gmx-users] g_sas   Eric Smoll
  • [gmx-users] g_sas   rajat desikan
    • [gmx-users] g_sas   rajat desikan
• [gmx-users] Solvent error?   Nikolaos Michelarakis
  • [gmx-users] Solvent error?   Mark Abraham
• [gmx-users] g_sas   Eric Smoll
  • [gmx-users] g_sas   Justin Lemkul
    • [gmx-users] g_sas   rajat desikan
      • [gmx-users] g_sas   Eric Smoll
      • [gmx-users] g_sas   Justin Lemkul
      • [gmx-users] g_sas   João M. Damas
• [gmx-users] analyze water in the hydration shell   pratibha kapoor
  • [gmx-users] analyze water in the hydration shell   Tsjerk Wassenaar
• [gmx-users] Questions about how to set up PME options correctly   Yunlong Liu
• [gmx-users] GPU vs Processor load   Pappu Kumar
• [gmx-users] analyze diffusion of water in first hydration shell   pratibha kapoor
  • [gmx-users] analyze diffusion of water in first hydration shell   Tsjerk Wassenaar
• [gmx-users] Energy file ener.edr not recognized, maybe different CPU?   Kester Wong
  • [gmx-users] Energy file ener.edr not recognized, maybe different CPU?   Justin Lemkul
    • [gmx-users] Energy file ener.edr not recognized, maybe different CPU?   Kester Wong
      • [gmx-users] Energy file ener.edr not recognized, maybe different CPU?   Justin Lemkul
      • [gmx-users] Energy file ener.edr not recognized, maybe different CPU?   Kester Wong
      • [gmx-users] Energy file ener.edr not recognized, maybe different CPU?   Kester Wong
• [gmx-users] Most appropriate structure to compare to in g_rms   Natalie Stephenson
  • [gmx-users] Most appropriate structure to compare to in g_rms   Justin Lemkul
    • [gmx-users] Most appropriate structure to compare to in g_rms   Natalie Stephenson
      • [gmx-users] Most appropriate structure to compare to in g_rms   Justin Lemkul
      • [gmx-users] Most appropriate structure to compare to in g_rms   Tsjerk Wassenaar
• [gmx-users] Most appropriate structure to compare to in g_rms   Natalie Stephenson
• [gmx-users] problems in numbers of scale down by 0.95 in KALP in DPPC tutorial   Mahboobe Sadr
  • [gmx-users] problems in numbers of scale down by 0.95 in KALP in DPPC tutorial   Justin Lemkul
    • [gmx-users] problems in numbers of scale down by 0.95 in KALP in DPPC tutorial   Mahboobe Sadr
      • [gmx-users] problems in numbers of scale down by 0.95 in KALP in DPPC tutorial   Justin Lemkul
      • [gmx-users] problems in numbers of scale down by 0.95 in KALP in DPPC tutorial   Mahboobe Sadr
• [gmx-users] GPU recommendations   Keith Callenberg
  • [gmx-users] GPU recommendations   Szilárd Páll
    • [gmx-users] GPU recommendations   Keith Callenberg
• [gmx-users] g_sas area   xy21hb
  • [gmx-users] g_sas area   Eric Smoll
• [gmx-users] Questions on reducing large loading imbalance   Yunlong Liu
  • [gmx-users] Questions on reducing large loading imbalance   Szilárd Páll
    • [gmx-users] 答复: Questions on reducing large loading imbalance   Yunlong Liu
• [gmx-users] Recommendations on how to increase performance   Yunlong Liu
• [gmx-users] Energy drift   Xiaobin Cao
  • [gmx-users] Energy drift   David van der Spoel
    • [gmx-users] Energy drift   Xiaobin Cao
      • [gmx-users] Energy drift   Mark Abraham
• [gmx-users] How do you print positions in double precision   Jackson Chief Elk
  • [gmx-users] How do you print positions in double precision   Carsten Kutzner
• [gmx-users] g_dielectric error   Cyrus Djahedi
  • [gmx-users] g_dielectric error   Justin Lemkul
• [gmx-users] g_sas dG   xy21hb
  • [gmx-users] g_sas dG   David van der Spoel
• [gmx-users] problems in numbers of scale down by 0.95 in KALP in DPPC tutorial   Justin Lemkul
• [gmx-users] error about g_bar   Justin Lemkul
• [gmx-users] Calculate RMSD for specific residue.   Dawid das
  • [gmx-users] Calculate RMSD for specific residue.   Justin Lemkul
    • [gmx-users] Calculate RMSD for specific residue.   Dawid das
      • [gmx-users] Calculate RMSD for specific residue.   Justin Lemkul
      • [gmx-users] Calculate RMSD for specific residue.   Dawid das
      • [gmx-users] Calculate RMSD for specific residue.   Justin Lemkul
• [gmx-users] radial density profile   Atila Petrosian
  • [gmx-users] radial density profile   Justin Lemkul
• [gmx-users] radial density profile   Atila Petrosian
  • [gmx-users] radial density profile   Justin Lemkul
• [gmx-users] g_gyrate output columns meaning   Dawid das
  • [gmx-users] g_gyrate output columns meaning   Justin Lemkul
• [gmx-users] convergence of MD simulations,   Ali Alizadeh
  • [gmx-users] convergence of MD simulations,   Justin Lemkul
  • [gmx-users] convergence of MD simulations,   Ali Alizadeh
• [gmx-users] Measuring distances between residues and visualising the results   Nikolaos Michelarakis
  • [gmx-users] Measuring distances between residues and visualising the results   Justin Lemkul
• [gmx-users] Protein drifting out of the box.   Dawid das
  • [gmx-users] Protein drifting out of the box.   Justin Lemkul
• [gmx-users] Dipole calculation for one residue.   Dawid das
  • [gmx-users] Dipole calculation for one residue.   Justin Lemkul
• [gmx-users] Increase the box size or decrease rlist   pragna lakshmi
  • [gmx-users] Increase the box size or decrease rlist   Justin Lemkul
    • [gmx-users] Increase the box size or decrease rlist   pragna lakshmi
      • [gmx-users] Increase the box size or decrease rlist   pragna lakshmi
      • [gmx-users] Increase the box size or decrease rlist   Mark Abraham
      • [gmx-users] Increase the box size or decrease rlist   pragna lakshmi
      • [gmx-users] Increase the box size or decrease rlist   Justin Lemkul
• [gmx-users] CHARMM36 sucrose?   Smith, Micholas D.
  • [gmx-users] CHARMM36 sucrose?   Justin Lemkul
    • [gmx-users] CHARMM36 sucrose?   Smith, Micholas D.
      • [gmx-users] CHARMM36 sucrose?   Justin Lemkul
      • [gmx-users] CHARMM36 sucrose?   Smith, Micholas D.
      • [gmx-users] CHARMM36 sucrose?   Justin Lemkul
      • [gmx-users] CHARMM36 sucrose?   Smith, Micholas D.
• [gmx-users] Energy drift   Xiaobin Cao
  • [gmx-users] Energy drift   Mark Abraham
• [gmx-users] CUDA5.5 and ICC 14   Theodore Si
  • [gmx-users] CUDA5.5 and ICC 14   Mark Abraham
    • [gmx-users] CUDA5.5 and ICC 14   Theodore Si
• [gmx-users] Install errors   Valentina Loconte
  • [gmx-users] Install errors   Mark Abraham
    • [gmx-users] Install errors   Valentina Loconte
• [gmx-users] too many lincs warnings   Meenakshi Rajput
  • [gmx-users] too many lincs warnings   Justin Lemkul
  • [gmx-users] too many lincs warnings   Meenakshi Rajput
• [gmx-users] how to pull along Z direction?   Albert
• [gmx-users] delete molecule with command line?   Albert
  • [gmx-users] delete molecule with command line?   Justin Lemkul
• [gmx-users] Extending simulation problem.   Dawid das
  • [gmx-users] Extending simulation problem.   Dawid das
  • [gmx-users] Extending simulation problem.   Justin Lemkul
    • [gmx-users] Extending simulation problem.   Dawid das
      • [gmx-users] Extending simulation problem.   Mark Abraham
      • [gmx-users] Extending simulation problem.   Dawid das
      • [gmx-users] Extending simulation problem.   Dawid das
      • [gmx-users] Extending simulation problem.   Justin Lemkul
      • [gmx-users] Extending simulation problem.   Mark Abraham
• [gmx-users] Forcefield parameters for Zinc and phosphorylated residues   Michael Carter
  • [gmx-users] Forcefield parameters for Zinc and phosphorylated residues   bipin singh
    • [gmx-users] Forcefield parameters for Zinc and phosphorylated residues   Michael Carter
      • [gmx-users] Forcefield parameters for Zinc and phosphorylated residues   Piggot T.
      • [gmx-users] Forcefield parameters for Zinc and phosphorylated residues   Michael Carter
      • [gmx-users] Forcefield parameters for Zinc and phosphorylated residues   Piggot T.
• [gmx-users] Energy drift   Xiaobin Cao
  • [gmx-users] Energy drift   Mark Abraham
• [gmx-users] Regarding error in NPT SIMULATION in VACUM   vidhya sankar
  • [gmx-users] Regarding error in NPT SIMULATION in VACUM   David van der Spoel
• [gmx-users] (no subject)   vidhya sankar
• [gmx-users] how to pull along Z direction   Lalita Shaki
• [gmx-users] Hydrogen bonds between new residue and protein.   Dawid das
  • [gmx-users] Hydrogen bonds between new residue and protein.   Dawid das
    • [gmx-users] Hydrogen bonds between new residue and protein.   Justin Lemkul
• [gmx-users] Energy drift   Xiaobin Cao
  • [gmx-users] Energy drift   Mark Abraham
• [gmx-users] How invoke hamiltonian replica exchange in 4.6.3   jia jia
• [gmx-users] Time evolution of distance of Hydrogen bond   MUSYOKA THOMMAS
  • [gmx-users] Time evolution of distance of Hydrogen bond   Justin Lemkul
• [gmx-users] Simulating different pH values of water   Kester Wong
  • [gmx-users] Simulating different pH values of water   Tsjerk Wassenaar
    • [gmx-users] Simulating different pH values of water   Kester Wong
• [gmx-users] Several questions about log file.   Theodore Si
  • [gmx-users] Several questions about log file.   Mark Abraham
• [gmx-users] REMD tutorial   shahab shariati
  • [gmx-users] REMD tutorial   Mark Abraham
• [gmx-users] Error using pdb2gmx tool   ankit agrawal
  • [gmx-users] Error using pdb2gmx tool   Justin Lemkul
• [gmx-users] How invoke hamiltonian replica exchange in 4.6.5   jia jia
  • [gmx-users] How invoke hamiltonian replica exchange in 4.6.5   Mark Abraham
• [gmx-users] regarding MSD   Nidhi Katyal
  • [gmx-users] regarding MSD   Nidhi Katyal
• [gmx-users] [gmx-developers] About dynamics loading balance   Roland Schulz
• [gmx-users] [gmx-developers] About dynamics loading balance   Roland Schulz
  • [gmx-users] [gmx-developers] About dynamics loading balance   Yunlong Liu
    • [gmx-users] [gmx-developers] About dynamics loading balance   Szilárd Páll
      • [gmx-users] [gmx-developers] About dynamics loading balance   Yunlong Liu
      • [gmx-users] [gmx-developers] About dynamics loading balance   Mark Abraham
• [gmx-users] GROMACS version 5.0 incompatible with my hardware - help req   Agnivo Gosai
  • [gmx-users] GROMACS version 5.0 incompatible with my hardware - help req   Johnny Lu
    • [gmx-users] GROMACS version 5.0 incompatible with my hardware - help req   Johnny Lu
  • [gmx-users] GROMACS version 5.0 incompatible with my hardware - help req   Justin Lemkul
• [gmx-users] pressure after NPT   ibrahim khalil
  • [gmx-users] pressure after NPT   Justin Lemkul
• [gmx-users] Interteting flooding results   Ricardo O. S. Soares
  • [gmx-users] Interteting flooding results   Carsten Kutzner
    • [gmx-users] Interpreting flooding results   Ricardo O. S. Soares
• [gmx-users] Job Submission script for Multiple nodes GPUs calculation   Xingcheng Lin
  • [gmx-users] Job Submission script for Multiple nodes GPUs calculation   Carsten Kutzner
• [gmx-users] Why we are not using GPU to solve FFT?   Theodore Si
  • [gmx-users] Why we are not using GPU to solve FFT?   Mark Abraham
• [gmx-users] regarding g_hydorder   Nidhi Katyal
• [gmx-users] (no subject)   Balasubramanian Suriyanarayanan
  • [gmx-users] (no subject)   Tsjerk Wassenaar
    • [gmx-users] (no subject)   Balasubramanian Suriyanarayanan
• [gmx-users] ligand is out side the box   RINU KHATTRI
  • [gmx-users] ligand is out side the box   Tsjerk Wassenaar
• [gmx-users] pme ranks   xiexiaobin at sjtu.edu.cn
  • [gmx-users] pme ranks   Carsten Kutzner
• [gmx-users] QM/MM simulation: point-charge, pbc and bOPT=yes problems   Bence Hégely
  • [gmx-users] QM/MM simulation: point-charge, pbc and bOPT=yes problems   Mark Abraham
• [gmx-users] Job Submission script for Multiple nodes GPUs   Xingcheng Lin
  • [gmx-users] Job Submission script for Multiple nodes GPUs   Carsten Kutzner
• [gmx-users] Elastic Network Model   shivangi nangia
  • [gmx-users] Elastic Network Model   Tsjerk Wassenaar
• [gmx-users] build membrane system from Charmm-Gui   Xiang Ning
  • [gmx-users] build membrane system from Charmm-Gui   Justin Lemkul
• [gmx-users] Time varying electric field - phase term   steven shawn
  • [gmx-users] Time varying electric field - phase term   Johnny Lu
    • [gmx-users] Time varying electric field - phase term   steven shawn
      • [gmx-users] Time varying electric field - phase term   Johnny Lu
• [gmx-users] Plotting hydrogen bonds and salt bridges.   Dawid das
  • [gmx-users] Plotting hydrogen bonds and salt bridges.   rajat desikan
• [gmx-users] Questions about 1-4 interactions in alkanes   Andrew DeYoung
• [gmx-users] Too much PME mesh wall time.   Yunlong Liu
  • [gmx-users] Too much PME mesh wall time.   Mark Abraham
• [gmx-users] regarding MSD   Nidhi Katyal
• [gmx-users] interpreting g_hydorder results   pratibha kapoor
  • [gmx-users] interpreting g_hydorder results   pratibha kapoor
• [gmx-users] new analysis in gromacs   Atila Petrosian
  • [gmx-users] new analysis in gromacs   Justin Lemkul
• [gmx-users] mdrun error   Lovika Moudgil
  • [gmx-users] mdrun error   Justin Lemkul
  • [gmx-users] mdrun error   Kester Wong
    • [gmx-users] mdrun error   Lovika Moudgil
      • [gmx-users] mdrun error   Mark Abraham
      • [gmx-users] mdrun error   Kester Wong
      • [gmx-users] mdrun error   Lovika Moudgil
      • [gmx-users] mdrun error   Mark Abraham
• [gmx-users] search in gromacs mailing list by subject   shahab shariati
  • [gmx-users] search in gromacs mailing list by subject   Justin Lemkul
• [gmx-users] build membrane system from Charmm-Gui   Xiang Ning
  • [gmx-users] build membrane system from Charmm-Gui   Justin Lemkul
    • [gmx-users] build membrane system from Charmm-Gui   Xiang Ning
      • [gmx-users] build membrane system from Charmm-Gui   Justin Lemkul
• [gmx-users] DSSP   Nikolaos Michelarakis
  • [gmx-users] DSSP   bipin singh
  • [gmx-users] DSSP   Mark Abraham
    • [gmx-users] DSSP   rama david
• [gmx-users] DSSP   Nikolaos Michelarakis
  • [gmx-users] DSSP   bipin singh
• [gmx-users] PMF calculation with three reaction coordinates   liaoxyi
• [gmx-users] new analysis in gromacs   Atila Petrosian
• [gmx-users] new analysis in gromacs   Atila Petrosian
  • [gmx-users] new analysis in gromacs   Mark Abraham
• [gmx-users] Missing Residues of PDB file   neha bharti
  • [gmx-users] Missing Residues of PDB file   RINU KHATTRI
    • [gmx-users] Missing Residues of PDB file   rama david
    • [gmx-users] Missing Residues of PDB file   Justin Lemkul
      • [gmx-users] Missing Residues of PDB file   RINU KHATTRI
      • [gmx-users] Missing Residues of PDB file   Justin Lemkul
• [gmx-users] Regarding the largest charge group radii is larger than rlist and rcoulomb   rama david
• [gmx-users] Additional repulsive terms for LJ   Timothy Click
  • [gmx-users] Additional repulsive terms for LJ   Justin Lemkul
• [gmx-users] calculate the ∆SASA for free energy calculation   Mahboobeh Eslami
  • [gmx-users] calculate the ∆SASA for free energy calculation   Justin Lemkul
    • [gmx-users] calculate the ∆SASA for free energy calculation   Mahboobeh Eslami
      • [gmx-users] calculate the ∆SASA for free energy calculation   Justin Lemkul
      • [gmx-users] calculate the ∆SASA for free energy calculation   Mahboobeh Eslami
      • [gmx-users] calculate the ∆SASA for free energy calculation   Justin Lemkul
• [gmx-users] Missing Residues of PDB file (rama david)   neha bharti
• [gmx-users] Missing Residues of PDB file   neha bharti
  • [gmx-users] Missing Residues of PDB file   rama david
• [gmx-users] new analysis in gromacs   Atila Petrosian
  • [gmx-users] new analysis in gromacs   Mark Abraham
• [gmx-users] DSSP   Nikolaos Michelarakis
  • [gmx-users] DSSP   Mark Abraham
    • [gmx-users] DSSP   Nikolaos Michelarakis
      • [gmx-users] DSSP   bipin singh
• [gmx-users] g_cluster and loops dynamics   James Starlight
• [gmx-users] dssp_index file   Ahmet yıldırım
  • [gmx-users] dssp_index file   Justin Lemkul
    • [gmx-users] dssp_index file   Ahmet Yıldırım
      • [gmx-users] dssp_index file   Justin Lemkul
      • [gmx-users] dssp_index file   Ahmet Yıldırım
      • [gmx-users] dssp_index file   Justin Lemkul
      • [gmx-users] dssp_index file   Ahmet Yıldırım
• [gmx-users] Energy drift   Xiaobin Cao
  • [gmx-users] Energy drift   Mark Abraham
• [gmx-users] Numerical Stability of Gromacs Implementation   Christoph Junghans
• [gmx-users] NVE Temperature Drift   Johnny Lu
  • [gmx-users] NVE Temperature Drift   Mark Abraham
    • [gmx-users] NVE Temperature Drift   Johnny Lu
      • [gmx-users] NVE Temperature Drift   Justin Lemkul
      • [gmx-users] NVE Temperature Drift   Johnny Lu
• [gmx-users] Additional repulsive terms for LJ   Timothy Click
  • [gmx-users] Additional repulsive terms for LJ   Justin Lemkul
• [gmx-users] How to setup my PBS script?   Kester Wong
• [gmx-users] Adding metal ions near graphene sheet   #SUKRITI GUPTA#
  • [gmx-users] Adding metal ions near graphene sheet   Justin Lemkul
• [gmx-users] Pressure coupling with stochastic integrator for triclinic box   Haiyang Zhang
  • [gmx-users] Pressure coupling with stochastic integrator for triclinic box   Mark Abraham
    • [gmx-users] Pressure coupling with stochastic integrator for triclinic box   Haiyang Zhang
      • [gmx-users] Pressure coupling with stochastic integrator for triclinic box   Mark Abraham
      • [gmx-users] Pressure coupling with stochastic integrator for triclinic box   Haiyang Zhang
• [gmx-users] index file for g_velacc to calculate diffusion coefficient in the bulk   Abbasi, N.
• [gmx-users] Coordinate file for charmm36 POPC   yashita thakur
  • [gmx-users] Coordinate file for charmm36 POPC   Justin Lemkul
• [gmx-users] Gromacs feature and usage survey   Mark Abraham
  • [gmx-users] Gromacs feature and usage survey   MUSYOKA THOMMAS
    • [gmx-users] Gromacs feature and usage survey   Mark Abraham
      • [gmx-users] Gromacs feature and usage survey   MUSYOKA THOMMAS
      • [gmx-users] Gromacs feature and usage survey   Mark Abraham
    • [gmx-users] Gromacs feature and usage survey   Michael Shirts
      • [gmx-users] Gromacs feature and usage survey   MUSYOKA THOMMAS
• [gmx-users] Additional repulsive terms for LJ   Dr. Timothy Click
  • [gmx-users] Additional repulsive terms for LJ   Justin Lemkul
• [gmx-users] centering with trjconv   Eric Smoll
  • [gmx-users] centering with trjconv   Justin Lemkul
    • [gmx-users] centering with trjconv   Tsjerk Wassenaar
      • [gmx-users] centering with trjconv   Eric Smoll
      • [gmx-users] centering with trjconv   lloyd riggs
      • [gmx-users] centering with trjconv   Tsjerk Wassenaar
• [gmx-users] What does PHE(OL) mean?   Andrew DeYoung
• [gmx-users] Water model used.   Dawid das
  • [gmx-users] Water model used.   Justin Lemkul
• [gmx-users] coordinates don't match   Lovika Moudgil
  • [gmx-users] coordinates don't match   Justin Lemkul
    • [gmx-users] coordinates don't match   Lovika Moudgil
• [gmx-users] SSE4 → AVX2   nicola staffolani
  • [gmx-users] SSE4 → AVX2   Mark Abraham
    • [gmx-users] SSE4 → AVX2   Mark Abraham
      • [gmx-users] SSE4 → AVX2   nicola staffolani
      • [gmx-users] SSE4 → AVX2   Mark Abraham
  • [gmx-users] SSE4 → AVX2   Szilárd Páll
    • [gmx-users] SSE4 → AVX2   Szilárd Páll
    • [gmx-users] SSE4 → AVX2   nicola staffolani
      • [gmx-users] SSE4 → AVX2   nicola staffolani
      • [gmx-users] SSE4 → AVX2   Mark Abraham
      • [gmx-users] SSE4 → AVX2   Szilárd Páll
      • [gmx-users] SSE4 → AVX2   nicola staffolani
      • [gmx-users] SSE4 → AVX2   Mark Abraham
      • [gmx-users] SSE4 → AVX2   nicola staffolani
• [gmx-users] coordinates don't match   Lalita Shaki
  • [gmx-users] coordinates don't match   RINU KHATTRI
    • [gmx-users] coordinates don't match   Lovika Moudgil
• [gmx-users] interrupt simulation   Negar Parvizi
  • [gmx-users] interrupt simulation   Justin Lemkul
• [gmx-users] Atomic Clashes during Energy minimization   neha bharti
  • [gmx-users] Atomic Clashes during Energy minimization   Justin Lemkul
• [gmx-users] Unknown cmap torsion between atoms   Xiang Ning
  • [gmx-users] Unknown cmap torsion between atoms   Justin Lemkul
    • [gmx-users] Unknown cmap torsion between atoms   Xiang Ning
      • [gmx-users] Unknown cmap torsion between atoms   Justin Lemkul
      • [gmx-users] Unknown cmap torsion between atoms   Xiang Ning
      • [gmx-users] Unknown cmap torsion between atoms   Justin Lemkul
      • [gmx-users] Unknown cmap torsion between atoms   xiang_ning at yahoo.com
• [gmx-users] A simple em.mdp and md.mdp file for GMX 5.0   Alan
  • [gmx-users] A simple em.mdp and md.mdp file for GMX 5.0   Mark Abraham
    • [gmx-users] A simple em.mdp and md.mdp file for GMX 5.0   Alan
• [gmx-users] Layerwise protein-water HB Correlation   xy21hb
• [gmx-users] Energy drift   Xiaobin Cao
• [gmx-users] Monitor distance between atoms   Eric Smoll
  • [gmx-users] Monitor distance between atoms   Justin Lemkul
• [gmx-users] g_mindist works along trajectory? (gromacs 4.6)   ms
  • [gmx-users] g_mindist works along trajectory? (gromacs 4.6)   Justin Lemkul
    • [gmx-users] g_mindist works along trajectory? (gromacs 4.6)   ms
• [gmx-users] Layerwise protein-water HB Correlation   xy21hb
• [gmx-users] Cannot find "gmx_mpi" when installing gromacs 5.0   朱文鹏
  • [gmx-users] Cannot find "gmx_mpi" when installing gromacs 5.0   Mark Abraham
• [gmx-users] md simulation steps   Meenakshi Rajput
  • [gmx-users] md simulation steps   Mark Abraham
  • [gmx-users] md simulation steps   Meenakshi Rajput
• [gmx-users] water not getting settle   Lovika Moudgil
  • [gmx-users] water not getting settle   Mark Abraham
• [gmx-users] hydrogen bond correlation function   xy21hb
• [gmx-users] MD exit condition   Eric Smoll
  • [gmx-users] MD exit condition   Mark Abraham
• [gmx-users] Cannot find "gmx_mpi" when installing gromacs 5.0   朱文鹏
• [gmx-users] GB parameters for DNA   Jianguo Li
• [gmx-users] Positive Potential Energy.   Dan Sponseller
  • [gmx-users] Positive Potential Energy.   Justin Lemkul
  • [gmx-users] Positive Potential Energy.   Tsjerk Wassenaar
• [gmx-users] Surface tension for membrane simulation   Xiang Ning
• [gmx-users] GPU Acceleration in case of Implicit Solvent Simulations   Siva Dasetty
  • [gmx-users] GPU Acceleration in case of Implicit Solvent Simulations   Mark Abraham
• [gmx-users] Martini force field for inhibitors   Sridhar Kumar Kannam
  • [gmx-users] Martini force field for inhibitors   XAvier Periole
• [gmx-users] g_select syntax   Bin Liu
  • [gmx-users] g_select syntax   Teemu Murtola
• [gmx-users] Water droplet moving away from surface   Kester Wong
• [gmx-users] Timesteps don't match   Oliver Schillinger
  • [gmx-users] Timesteps don't match   Mark Abraham
    • [gmx-users] Timesteps don't match   Oliver Schillinger
• [gmx-users] X-ray Diffraction (XRD)   Cyrus Djahedi
• [gmx-users] GPU and MPI   Da-Wei Li
  • [gmx-users] GPU and MPI   Carsten Kutzner
    • [gmx-users] GPU and MPI   Da-Wei Li
      • [gmx-users] GPU and MPI   Carsten Kutzner
• [gmx-users] Pull_geometry=cylinder   Alexandra Antipina
• [gmx-users] Gromacs 4.6.7 released   Mark Abraham
• [gmx-users] PMF curve in umbrella sampling   Mana Ib
  • [gmx-users] PMF curve in umbrella sampling   Justin Lemkul
    • [gmx-users] PMF curve in umbrella sampling   Mana Ib
      • [gmx-users] PMF curve in umbrella sampling   Justin Lemkul
• [gmx-users] gromacs   Meenakshi Rajput
  • [gmx-users] gromacs   rajat desikan
• [gmx-users] Counting Interactions in vacuo ..   Alberto Sergio Garay
• [gmx-users] updates about ACPYPE   Alan
• [gmx-users] Interuption Simulation   Negar Parvizi
• [gmx-users] Interuption Simulation   Negar Parvizi
  • [gmx-users] Interuption Simulation   Justin Lemkul
• [gmx-users] Interuption Simulation   Negar Parvizi
• [gmx-users] 转发：entropy calculation by g_anaeig   sunyeping
• [gmx-users] Calculate mean length of a bond.   Dawid das
  • [gmx-users] Calculate mean length of a bond.   Justin Lemkul
• [gmx-users] How to combine Slipid FF with amber FF?   Yorquant Wang
  • [gmx-users] How to combine Slipid FF with amber FF?   rajat desikan
    • [gmx-users] How to combine Slipid FF with amber FF?   Yorquant Wang
      • [gmx-users] How to combine Slipid FF with amber FF?   Justin Lemkul
      • [gmx-users] How to combine Slipid FF with amber FF?   rajat desikan
    • [gmx-users] How to combine Slipid FF with amber FF?   Justin Lemkul
  • [gmx-users] How to combine Slipid FF with amber FF?   Justin Lemkul
• [gmx-users] What does g_rama calculate?   Dawid das
  • [gmx-users] What does g_rama calculate?   Justin Lemkul
    • [gmx-users] What does g_rama calculate?   Dawid das
• [gmx-users] Segmentation fault mdrun   Alex s
  • [gmx-users] Segmentation fault mdrun   Justin Lemkul
    • [gmx-users] Segmentation fault mdrun   Alex s
      • [gmx-users] Segmentation fault mdrun   Alex s
      • [gmx-users] Segmentation fault mdrun   Justin Lemkul

Last message date: Sun Aug 31 23:15:01 CEST 2014
Archived on: Sun Aug 31 23:15:02 CEST 2014

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