August 2012 Archives by thread

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Starting: Wed Aug 1 00:19:13 CEST 2012
Ending: Fri Aug 31 22:28:42 CEST 2012
Messages: 747

• [gmx-users] Re: Diagnosing + system blowing up   Mark Abraham
  • [gmx-users] Re: Diagnosing + system blowing up   Shima Arasteh
    • [gmx-users] Re: Diagnosing + system blowing up   Shima Arasteh
      • [gmx-users] Re: Diagnosing + system blowing up   Justin Lemkul
• [gmx-users] A Force Field Paper including Heme Proteins   ZHANG Lu
• [gmx-users] Fatal error: Number of grid cells is zero. Probably the system and box collapsed.   leila karami
  • [gmx-users] Fatal error: Number of grid cells is zero. Probably the system and box collapsed.   Mark Abraham
• [gmx-users] About system requirement to gromacs   rama david
  • [gmx-users] About system requirement to gromacs   Mark Abraham
    • [gmx-users] About system requirement to gromacs   rama david
      • [gmx-users] About system requirement to gromacs   Mark Abraham
      • [gmx-users] About system requirement to gromacs   rama david
      • [gmx-users] About system requirement to gromacs   Linus Östberg
      • [gmx-users] About system requirement to gromacs   Mark Abraham
      • [gmx-users] About system requirement to gromacs   rama david
      • [gmx-users] About system requirement to gromacs   Mark Abraham
• [gmx-users] laptop GPU support   Thomas Evangelidis
• [gmx-users] New tutorial available   Justin Lemkul
• [gmx-users] Re: [ atomtypes ] are not case sensitive?   juanjuan0618
  • [gmx-users] Re: [ atomtypes ] are not case sensitive?   Mark Abraham
    • [gmx-users] Re: [ atomtypes ] are not case sensitive?   juanjuan0618
      • [gmx-users] Re: [ atomtypes ] are not case sensitive?   Justin Lemkul
    • [gmx-users] Re: [ atomtypes ] are not case sensitive?   juanjuan0618
      • [gmx-users] Re: [ atomtypes ] are not case sensitive?   Justin Lemkul
• [gmx-users] problems when using trjconv or g_msd to process xtc trajectory files with only a portion of all the atoms in the system   Christopher Neale
  • [gmx-users] problems when using trjconv or g_msd to process xtc trajectory files with only a portion of all the atoms in the system   rocwhite168
    • [gmx-users] problems when using trjconv or g_msd to process xtc trajectory files with only a portion of all the atoms in the system   Mark Abraham
• [gmx-users] Preparation of the pdb for MD simulation   James Starlight
• [gmx-users] Re: Linear Interaction energy calculations   J Peterson
• [gmx-users] Re: number of coordinates in coordinate file (system_inflated.gro, 9331) number of coordinates in coordinate file does not match topology   Bhavaniprasad.V
  • [gmx-users] Re: number of coordinates in coordinate file (system_inflated.gro, 9331) number of coordinates in coordinate file does not match topology   Justin Lemkul
• [gmx-users] CHARMM36 - Smaller Area per lipid for POPE - Why?   Sebastien Cote
  • [gmx-users] CHARMM36 - Smaller Area per lipid for POPE - Why?   Thomas Piggot
  • [gmx-users] CHARMM36 - Smaller Area per lipid for POPE - Why?   David Ackerman
    • [gmx-users] CHARMM36 - Smaller Area per lipid for POPE - Why?   Sebastien Cote
      • [gmx-users] CHARMM36 - Smaller Area per lipid for POPE - Why?   Mark Abraham
      • [gmx-users] CHARMM36 - Smaller Area per lipid for POPE - Why?   Peter C. Lai
      • [gmx-users] CHARMM36 - Smaller Area per lipid for POPE - Why?   Sebastien Cote
      • [gmx-users] CHARMM36 - Smaller Area per lipid for POPE - Why?   Peter C. Lai
      • [gmx-users] CHARMM36 - Smaller Area per lipid for POPE - Why?   Peter C. Lai
      • [gmx-users] CHARMM36 - Smaller Area per lipid for POPE - Why?   Felipe Pineda, PhD
      • [gmx-users] CHARMM36 - Smaller Area per lipid for POPE - Why?   Sebastien Cote
      • [gmx-users] CHARMM36 - Smaller Area per lipid for POPE - Why?   Sebastien Cote
      • [gmx-users] CHARMM36 - Smaller Area per lipid for POPE - Why?   Peter C. Lai
• [gmx-users] LINCS warnings for bonds that do not exist   Christian Blouin
  • [gmx-users] LINCS warnings for bonds that do not exist   Justin Lemkul
• [gmx-users] Thole polarization between different molecules   avilaverde
  • [gmx-users] Thole polarization between different molecules   David van der Spoel
• [gmx-users] (no subject)   vidhya sankar
  • [gmx-users] (no subject)   Justin Lemkul
• [gmx-users] gmx-user : problem with coordinate number   Nur Syafiqah Abdul Ghani
  • [gmx-users] gmx-user : problem with coordinate number   Mark Abraham
• [gmx-users] Re: number of coordinates in coordinate file (system_inflated.gro, 9331) number of coordinates in coordinate file does not match topology   Bhavaniprasad.V
  • [gmx-users] Re: number of coordinates in coordinate file (system_inflated.gro, 9331) number of coordinates in coordinate file does not match topology   Justin Lemkul
• [gmx-users] place carbon nanotube along the z direction   Abed Askari
  • [gmx-users] place carbon nanotube along the z direction   Marzinek, Jan
• [gmx-users] LIE using g_lie   J Peterson
• [gmx-users] Protein from the line chain   Steven Neumann
  • [gmx-users] Protein from the line chain   Justin Lemkul
    • [gmx-users] Protein from the line chain   Steven Neumann
      • [gmx-users] Protein from the line chain   Justin Lemkul
      • [gmx-users] Protein from the line chain   Steven Neumann
• [gmx-users] Re: number of coordinates in coordinate file (system_inflated.gro, 9331) number of coordinates in coordinate file does not match topology   bhavaniprasad vipperla
  • [gmx-users] Re: number of coordinates in coordinate file (system_inflated.gro, 9331) number of coordinates in coordinate file does not match topology   Justin Lemkul
• [gmx-users] Re: number of coordinates in coordinate file (system_inflated.gro, 9331) number of coordinates in coordinate file does not match topology   bhavaniprasad vipperla
  • [gmx-users] Re: number of coordinates in coordinate file (system_inflated.gro, 9331) number of coordinates in coordinate file does not match topology   Justin Lemkul
    • [gmx-users] Re: number of coordinates in coordinate file (system_inflated.gro, 9331) number of coordinates in coordinate file does not match topology   leonines
      • [gmx-users] Re: number of coordinates in coordinate file (system_inflated.gro, 9331) number of coordinates in coordinate file does not match topology   Mark Abraham
• [gmx-users] orientation of CNT   Abed Askari
• [gmx-users] laptop GPU support   Roland Schulz
• [gmx-users] Adding New Residue to the Gromos 53.6 ff   James Starlight
  • [gmx-users] Re: Adding New Residue to the Gromos 53.6 ff   Mark Abraham
    • [gmx-users] Re: Adding New Residue to the Gromos 53.6 ff   James Starlight
      • [gmx-users] Re: Adding New Residue to the Gromos 53.6 ff   Mark Abraham
      • [gmx-users] Re: Adding New Residue to the Gromos 53.6 ff   James Starlight
      • [gmx-users] Re: Adding New Residue to the Gromos 53.6 ff   Mark Abraham
      • [gmx-users] Re: Adding New Residue to the Gromos 53.6 ff   James Starlight
      • [gmx-users] Re: Adding New Residue to the Gromos 53.6 ff   Mark Abraham
• [gmx-users] How to add new residue(LIG reisdue)?   Ali Alizadeh
  • [gmx-users] How to add new residue(LIG reisdue)?   Justin Lemkul
  • [gmx-users] a residue move in extremely large scale in MD   Acoot Brett
    • [gmx-users] a residue move in extremely large scale in MD   Mark Abraham
      • [gmx-users] a residue move in extremely large scale in MD   Acoot Brett
      • [gmx-users] a residue move in extremely large scale in MD   Dallas Warren
      • [gmx-users] a residue move in extremely large scale in MD   Acoot Brett
      • AW: [gmx-users] a residue move in extremely large scale in MD   Rausch, Felix
      • [gmx-users] a residue move in extremely large scale in MD   Dallas Warren
      • [gmx-users] a residue move in extremely large scale in MD   Acoot Brett
      • [gmx-users] a residue move in extremely large scale in MD   Justin Lemkul
      • [gmx-users] a residue move in extremely large scale in MD   Acoot Brett
      • [gmx-users] a residue move in extremely large scale in MD   Justin Lemkul
      • [gmx-users] a residue move in extremely large scale in MD   Dallas Warren
      • [gmx-users] a residue move in extremely large scale in MD   Mark Abraham
      • [gmx-users] a residue move in extremely large scale in MD   Acoot Brett
      • [gmx-users] a residue move in extremely large scale in MD   Mark Abraham
      • [gmx-users] a residue move in extremely large scale in MD   Dallas Warren
      • [gmx-users] a residue move in extremely large scale in MD   Albert
      • [gmx-users] a residue move in extremely large scale in MD   Acoot Brett
      • [gmx-users] a residue move in extremely large scale in MD   Justin Lemkul
• [gmx-users] tutorials for Coarse-Grained MD Simulation   J Peterson
  • [gmx-users] tutorials for Coarse-Grained MD Simulation   Marzinek, Jan
    • [gmx-users] RE: tutorials for Coarse-Grained MD Simulation   J Peterson
      • [gmx-users] RE: tutorials for Coarse-Grained MD Simulation   Marzinek, Jan
      • [gmx-users] RE: tutorials for Coarse-Grained MD Simulation   J Peterson
      • [gmx-users] RE: tutorials for Coarse-Grained MD Simulation   Justin Lemkul
• [gmx-users] Create a elastic network model -attach a spring between to atoms with force constant   mohan maruthi sena
  • [gmx-users] Create a elastic network model -attach a spring between to atoms with force constant   Mark Abraham
• [gmx-users] Compilation of Gromacs 4.5.5 with GPU support: libxml and CUDA toolkit problems   ms
  • [gmx-users] Compilation of Gromacs 4.5.5 with GPU support: libxml and CUDA toolkit problems   Szilárd Páll
• [gmx-users] Hydroxyapatite MD odd behavior   Ramon Garduno
  • [gmx-users] Hydroxyapatite MD odd behavior   Justin Lemkul
    • [gmx-users] Hydroxyapatite MD odd behavior   Ramon Garduno
      • [gmx-users] Hydroxyapatite MD odd behavior   Justin Lemkul
      • [gmx-users] Hydroxyapatite MD odd behavior   Ramon Garduno
• [gmx-users] Re: How to add new residue(LIG reisdue)? (Justin Lemkul)   Justin Lemkul
• [gmx-users] NMA and g_nmeig segmentation fault   Michael Howard
  • [gmx-users] NMA and g_nmeig segmentation fault   Mark Abraham
• [gmx-users] Error in ligand coordinate file   sai nitin
  • [gmx-users] Error in ligand coordinate file   Justin Lemkul
    • [gmx-users] Error in ligand coordinate file   sai nitin
      • [gmx-users] Error in ligand coordinate file   Justin Lemkul
      • [gmx-users] Error in ligand coordinate file   sai nitin
      • [gmx-users] Error in ligand coordinate file   Justin Lemkul
      • [gmx-users] Error in ligand coordinate file   sai nitin
      • [gmx-users] Error in ligand coordinate file   Justin Lemkul
• [gmx-users] .top file   Shima Arasteh
  • [gmx-users] .top file   Justin Lemkul
• [gmx-users] About Shake and Lincs Algorithm   vidhya sankar
  • [gmx-users] About Shake and Lincs Algorithm   Justin Lemkul
• [gmx-users] Gromacs configuration error....configure error : cannot compute sizeof ( off_t)...   rama david
  • [gmx-users] Gromacs configuration error....configure error : cannot compute sizeof ( off_t)...   Mark Abraham
    • [gmx-users] Gromacs configuration error....configure error : cannot compute sizeof ( off_t)...   rama david
• [gmx-users] Simulated annealing in implicit solvent   Ольга Кононова
  • [gmx-users] Simulated annealing in implicit solvent   Justin Lemkul
• [gmx-users] Question about Thermodynamic Integration   Asaf Farhi
  • [gmx-users] Question about Thermodynamic Integration   Albert
  • [gmx-users] Question about Thermodynamic Integration   Justin Lemkul
    • [gmx-users] Question about Thermodynamic Integration   Asaf Farhi
      • [gmx-users] Question about Thermodynamic Integration   Asaf Farhi
      • [gmx-users] Question about Thermodynamic Integration   Justin Lemkul
      • [gmx-users] Question about Thermodynamic Integration   Asaf Farhi
      • [gmx-users] Question about Thermodynamic Integration   Justin Lemkul
      • [gmx-users] Question about Thermodynamic Integration   Asaf Farhi
• [gmx-users] Abnormal alignment of waters after NVT simulation   Du Jiangfeng (BIOCH)
  • [gmx-users] Abnormal alignment of waters after NVT simulation   Mark Abraham
• [gmx-users] What 's the format of tabble for dihedral potential ?   肖强
• [gmx-users] Gromacs to AMBER   sai nitin
• [gmx-users] add a new bond to a force field   Shima Arasteh
  • [gmx-users] add a new bond to a force field   Justin Lemkul
• [gmx-users] mdrun-gpu   cuong nguyen
  • [gmx-users] mdrun-gpu   Mark Abraham
• [gmx-users] D20 simulation/Topology file and force field   Deepak Ojha
• [gmx-users] GPU - protein in water   Steven Neumann
• [gmx-users] NVT equilibration   Shima Arasteh
  • [gmx-users] NVT equilibration   Marzinek, Jan
  • [gmx-users] NVT equilibration   Peter C. Lai
    • [gmx-users] NVT equilibration   Shima Arasteh
      • [gmx-users] NVT equilibration   Peter C. Lai
• [gmx-users] Protein - Ligand tetramer simulation   Ankita naithani
  • [gmx-users] Protein - Ligand tetramer simulation   Justin Lemkul
    • [gmx-users] Protein - Ligand tetramer simulation   Ankita naithani
• [gmx-users] About getting running time from a Gromacs Run   jesmin jahan
  • [gmx-users] About getting running time from a Gromacs Run   Mark Abraham
    • [gmx-users] About getting running time from a Gromacs Run   jesmin jahan
• [gmx-users] mdrun error   Shima Arasteh
  • [gmx-users] mdrun error   Justin Lemkul
• [gmx-users] dihedral as Collective Variable in Umbrella Sampling   tarak karmakar
• [gmx-users] Visualizing a process   Shima Arasteh
  • [gmx-users] Visualizing a process   Justin Lemkul
    • [gmx-users] Visualizing a process   Shima Arasteh
• [gmx-users] Visualizing a process   Justin Lemkul
  • [gmx-users] Visualizing a process   Shima Arasteh
    • [gmx-users] Visualizing a process   Justin Lemkul
• [gmx-users] Re: restraints placed on the boundary region of a lipid membrane   Andreea
• [gmx-users] fixing split molecules in trajectory file   Paula Andrea Delgado Pinzon
  • [gmx-users] fixing split molecules in trajectory file   Justin Lemkul
• [gmx-users] Re: number of coordinates in coordinate file (system_inflated.gro, 9331) number of coordinates in coordinate file does not match topology   Bhavaniprasad.V
  • [gmx-users] Re: number of coordinates in coordinate file (system_inflated.gro, 9331) number of coordinates in coordinate file does not match topology   Justin Lemkul
• [gmx-users] dihedral as CV in Umbrella Sampling   tarak karmakar
• [gmx-users] Empirical potential for Pi stacking interactions?   Delmotte, Antoine
  • [gmx-users] Re: Empirical potential for Pi stacking interactions?   Andreea
    • [gmx-users] Re: Empirical potential for Pi stacking interactions?   Delmotte, Antoine
• [gmx-users] How it possible find detail way for start preparing INPUT files for simulation of Hypoxanthine (aq) solution by Gromacs   Mohammad Hossein Kowsari
  • [gmx-users] How it possible find detail way for start preparing INPUT files for simulation of Hypoxanthine (aq) solution by Gromacs   Justin Lemkul
• [gmx-users] PMF - Protein-Me​brane   dariush
  • [gmx-users] PMF - Protein-Me​brane   Justin Lemkul
• [gmx-users] Protein-ligand - genion error   Ankita naithani
  • [gmx-users] Protein-ligand - genion error   Justin Lemkul
    • [gmx-users] Protein-ligand - genion error   Ankita naithani
      • [gmx-users] Protein-ligand - genion error   Justin Lemkul
      • [gmx-users] Protein-ligand - genion error   Ankita naithani
• [gmx-users] Umbrella sampling   Paula Andrea Delgado Pinzon
  • [gmx-users] Umbrella sampling   Justin Lemkul
• [gmx-users] a residue move in extremely large scale in MD   Justin Lemkul
• [gmx-users] simmulated annealing   tarak karmakar
  • [gmx-users] simmulated annealing   Mark Abraham
    • [gmx-users] simmulated annealing   tarak karmakar
• [gmx-users] Parrinello-Rahman with surface-tension coupling   Felipe Pineda, PhD
  • [gmx-users] Parrinello-Rahman with surface-tension coupling   Mark Abraham
    • [gmx-users] Parrinello-Rahman with surface-tension coupling   Felipe Pineda, PhD
• [gmx-users] Re: mass center of each molecule   akn
  • [gmx-users] Re: mass center of each molecule   Mark Abraham
• [gmx-users] time evolutions of an angle   akn
  • [gmx-users] time evolutions of an angle   Mark Abraham
• [gmx-users] trajectory file formats   Jim Kress
  • [gmx-users] trajectory file formats   Broadbent, Richard
    • [gmx-users] trajectory file formats   Mark Abraham
• [gmx-users] implicit solvent protein simulations with charmm   Sai Pooja
  • [gmx-users] implicit solvent protein simulations with charmm   Mark Abraham
• [gmx-users] grommp warning   Shima Arasteh
  • [gmx-users] grommp warning   Shima Arasteh
  • [gmx-users] grommp warning   Justin Lemkul
    • [gmx-users] grommp warning   Shima Arasteh
      • [gmx-users] grommp warning   Justin Lemkul
      • [gmx-users] grommp warning   rama david
      • [gmx-users] grommp warning   Justin Lemkul
      • [gmx-users] grommp warning   rama david
      • [gmx-users] grommp warning   Justin Lemkul
      • [gmx-users] grommp warning   rama david
      • [gmx-users] grommp warning   Mark Abraham
      • [gmx-users] grommp warning   rama david
      • [gmx-users] grommp warning   Mark Abraham
• [gmx-users] Topology file for simulation of inorganic compounds   Deepak Ojha
  • [gmx-users] Topology file for simulation of inorganic compounds   Justin Lemkul
    • [gmx-users] Topology file for simulation of inorganic compounds   David van der Spoel
• [gmx-users] checkpoint file   Juliette N.
  • [gmx-users] checkpoint file   Matthias Ernst
    • [gmx-users] checkpoint file   Juliette N.
      • [gmx-users] checkpoint file   Justin Lemkul
      • [gmx-users] checkpoint file   Matthias Ernst
      • [gmx-users] checkpoint file   Juliette N.
      • [gmx-users] checkpoint file   Justin Lemkul
      • [gmx-users] checkpoint file   Juliette N.
      • [gmx-users] checkpoint file   Justin Lemkul
      • [gmx-users] checkpoint file   Juliette N.
      • [gmx-users] checkpoint file   Justin Lemkul
      • [gmx-users] checkpoint file   Juliette N.
      • [gmx-users] checkpoint file   Juliette N.
      • [gmx-users] checkpoint file   Justin Lemkul
      • [gmx-users] checkpoint file   Juliette N.
      • [gmx-users] checkpoint file   Justin Lemkul
      • [gmx-users] checkpoint file   Mark Abraham
      • [gmx-users] checkpoint file   rama david
• [gmx-users] Questions regarding Polarization Energy Calculation   jesmin jahan
  • [gmx-users] Questions regarding Polarization Energy Calculation   Mark Abraham
    • [gmx-users] Questions regarding Polarization Energy Calculation   jesmin jahan
      • [gmx-users] Questions regarding Polarization Energy Calculation   jesmin jahan
      • [gmx-users] Questions regarding Polarization Energy Calculation   Mark Abraham
• [gmx-users] potential energy   Tom Dupree
  • [gmx-users] potential energy   Mark Abraham
• [gmx-users] Doubts over g_lie usage   J Peterson
• [gmx-users] desired no of water molecules   tarak karmakar
  • [gmx-users] desired no of water molecules   Mark Abraham
    • [gmx-users] desired no of water molecules   tarak karmakar
      • [gmx-users] desired no of water molecules   Peter C. Lai
      • [gmx-users] desired no of water molecules   tarak karmakar
      • [gmx-users] desired no of water molecules   Peter C. Lai
      • [gmx-users] desired no of water molecules   tarak karmakar
      • [gmx-users] desired no of water molecules   tarak karmakar
      • [gmx-users] desired no of water molecules   Mark Abraham
• [gmx-users] RE: Doubts over g_lie usage   Tom Dupree
  • [gmx-users] RE: Doubts over g_lie usage   J Peterson
• [gmx-users] RE: RE: Doubts over g_lie usage   Tom Dupree
  • [gmx-users] RE: RE: Doubts over g_lie usage   J Peterson
• [gmx-users] box of simulation   mohammad agha
  • [gmx-users] box of simulation   mohammad agha
    • [gmx-users] box of simulation   Emanuel Birru
      • [gmx-users] box of simulation   mohammad agha
      • [gmx-users] Fw: box of simulation   mohammad agha
      • [gmx-users] Fw: box of simulation   Emanuel Birru
      • [gmx-users] box of simulation   mohammad agha
      • [gmx-users] Fw: box of simulation   Mark Abraham
      • [gmx-users] box of simulation   mohammad agha
      • [gmx-users] box of simulation   Mark Abraham
      • [gmx-users] box of simulation   mohammad agha
    • [gmx-users] box of simulation   Mark Abraham
• [gmx-users] Ions topology   Ankita naithani
  • [gmx-users] Ions topology   Mark Abraham
    • [gmx-users] Ions topology   Ankita naithani
      • [gmx-users] my VMD   Acoot Brett
      • [gmx-users] my VMD   rama david
      • [gmx-users] my VMD   rama david
• [gmx-users] PLUMED-GROMACS force constant, angle unit   tarak karmakar
  • [gmx-users] PLUMED-GROMACS force constant, angle unit   David van der Spoel
    • [gmx-users] PLUMED-GROMACS force constant, angle unit   tarak karmakar
      • [gmx-users] PLUMED-GROMACS force constant, angle unit   Justin Lemkul
• [gmx-users] PhD position in Göttingen/Germany   Jochen Hub
• [gmx-users] simulation   Shima Arasteh
  • [gmx-users] simulation   Justin Lemkul
    • [gmx-users] simulation   Shima Arasteh
• [gmx-users] RE: RE: RE: Doubts over g_lie usage   Tom Dupree
  • [gmx-users] RE: RE: RE: Doubts over g_lie usage   J Peterson
• [gmx-users] Parameters for bonded interactions   Sebastien Cote
  • [gmx-users] Parameters for bonded interactions   Mark Abraham
    • [gmx-users] Parameters for bonded interactions   Sebastien Cote
    • [gmx-users] Parameters for bonded interactions   Sebastien Cote
      • [gmx-users] Parameters for bonded interactions   Mark Abraham
      • [gmx-users] Parameters for bonded interactions   Sebastien Cote
• [gmx-users] box of simulation   mohammad agha
  • [gmx-users] box of simulation   mohammad agha
    • [gmx-users] box of simulation   Mark Abraham
      • [gmx-users] box of simulation   mohammad agha
• [gmx-users] Topology file   Ankita naithani
  • [gmx-users] Re: Topology file   Ankita naithani
    • [gmx-users] Re: Topology file   Justin Lemkul
• [gmx-users] Cross-correlation maps   James Starlight
  • [gmx-users] when?   Albert
    • [gmx-users] when?   Elton Carvalho
      • [gmx-users] when?   Albert
      • [gmx-users] when?   Justin Lemkul
  • [gmx-users] Re: Cross-correlation maps   James Starlight
    • [gmx-users] Re: Cross-correlation maps   Mark Abraham
      • [gmx-users] Re: Cross-correlation maps   James Starlight
      • [gmx-users] Re: Cross-correlation maps   Tsjerk Wassenaar
      • [gmx-users] Re: Cross-correlation maps   James Starlight
      • [gmx-users] Re: Cross-correlation maps   Mark Abraham
      • [gmx-users] Re: Cross-correlation maps   James Starlight
      • [gmx-users] Re: Cross-correlation maps   Mark Abraham
      • [gmx-users] Re: Cross-correlation maps   Tsjerk Wassenaar
• [gmx-users] CHARMM36 - Smaller Area per lipid for POPE - Why?   Christopher Neale
• [gmx-users] PMF - Protein-Me​brane   Christopher Neale
• [gmx-users] my VMD   Christopher Neale
• [gmx-users] CHARMM36 - Smaller Area per lipid for POPE - Why?   Christopher Neale
  • [gmx-users] CHARMM36 - Smaller Area per lipid for POPE - Why?   Sebastien Cote
    • [gmx-users] CHARMM36 - Smaller Area per lipid for POPE - Why?   Felipe Pineda, PhD
• [gmx-users] CHARMM36 - Smaller Area per lipid for POPE - Why?   Christopher Neale
  • [gmx-users] CHARMM36 - Smaller Area per lipid for POPE - Why?   Peter C. Lai
    • [gmx-users] CHARMM36 - Smaller Area per lipid for POPE - Why?   Thomas Piggot
• [gmx-users] box vectors - regd   ramesh cheerla
  • [gmx-users] box vectors - regd   Mark Abraham
    • [gmx-users] box vectors - regd   ramesh cheerla
      • [gmx-users] box vectors - regd   Mark Abraham
      • [gmx-users] box vectors - regd   ramesh cheerla
• [gmx-users] CHARMM36 - Smaller Area per lipid for POPE - Why?   Christopher Neale
• [gmx-users] Ordering of hydrogen bonds in -hbn and -hbm output in g_hbond   Andrew DeYoung
  • [gmx-users] Ordering of hydrogen bonds in -hbn and -hbm output in g_hbond   Justin Lemkul
    • [gmx-users] Ordering of hydrogen bonds in -hbn and -hbm output in g_hbond   Erik Marklund
    • [gmx-users] Ordering of hydrogen bonds in -hbn and -hbm output in g_hbond   Erik Marklund
• [gmx-users] Re: Ordering of hydrogen bonds in -hbn and -hbm output in g_hbond   Andrew DeYoung
  • [gmx-users] Re: Ordering of hydrogen bonds in -hbn and -hbm output in g_hbond   Justin Lemkul
• [gmx-users] RE: Re: potential energy   Tom Dupree
• [gmx-users] Questions regarding Polarization Energy Calculation   jesmin jahan
  • [gmx-users] Questions regarding Polarization Energy Calculation   Mark Abraham
    • [gmx-users] Questions regarding Polarization Energy Calculation   jesmin jahan
      • [gmx-users] Questions regarding Polarization Energy Calculation   Mark Abraham
      • [gmx-users] Questions regarding Polarization Energy Calculation   jesmin jahan
• [gmx-users] About Number of Components of eigen Vector   vidhya sankar
• [gmx-users] RMSF error when fitting to average structure   tdgrant1
  • [gmx-users] RMSF error when fitting to average structure   Justin Lemkul
    • [gmx-users] Re: RMSF error when fitting to average structure   tdgrant1
      • [gmx-users] Re: RMSF error when fitting to average structure   Justin Lemkul
      • [gmx-users] Re: RMSF error when fitting to average structure   tdgrant1
      • [gmx-users] Re: RMSF error when fitting to average structure   Justin Lemkul
      • [gmx-users] Re: RMSF error when fitting to average structure   tdgrant1
      • [gmx-users] Re: RMSF error when fitting to average structure   Justin Lemkul
      • [gmx-users] Re: RMSF error when fitting to average structure   tdgrant1
      • [gmx-users] Re: RMSF error when fitting to average structure   Justin Lemkul
• [gmx-users] simmulated annealing excess temperature........................   tarak karmakar
  • [gmx-users] simmulated annealing excess temperature........................   Justin Lemkul
    • [gmx-users] simmulated annealing excess temperature........................   tarak karmakar
  • [gmx-users] simmulated annealing excess temperature........................   Elton Carvalho
• [gmx-users] Ca ion simulation incorporated in protein structure   ram bio
  • [gmx-users] Ca ion simulation incorporated in protein structure   Justin Lemkul
• [gmx-users] atom numbering   dariush
  • [gmx-users] atom numbering   Justin Lemkul
    • [gmx-users] Re: atom numbering   dariush
      • [gmx-users] Re: atom numbering   Justin Lemkul
      • [gmx-users] Re: atom numbering   dariush
• [gmx-users] Protein-POPC bilayer   Shima Arasteh
  • [gmx-users] Protein-POPC bilayer   Jianguo Li
    • [gmx-users] Protein-POPC bilayer   Justin Lemkul
      • [gmx-users] Protein-POPC bilayer   Jianguo Li
  • [gmx-users] Protein-POPC bilayer   Peter C. Lai
    • [gmx-users] Protein-POPC bilayer   Peter C. Lai
      • [gmx-users] Protein-POPC bilayer   Shima Arasteh
      • [gmx-users] Protein-POPC bilayer   Peter C. Lai
      • [gmx-users] Protein-POPC bilayer   Shima Arasteh
      • [gmx-users] Protein-POPC bilayer   Peter C. Lai
      • [gmx-users] Protein-POPC bilayer   Shima Arasteh
• [gmx-users] Protein-POPC bilayer   Justin Lemkul
  • [gmx-users] Protein-POPC bilayer   Mark Abraham
    • [gmx-users] Protein-POPC bilayer   Justin Lemkul
      • [gmx-users] Protein-POPC bilayer   Dallas Warren
      • [gmx-users] Protein-POPC bilayer   Shima Arasteh
• [gmx-users] LINCS   shahid nayeem
  • [gmx-users] LINCS   Mark Abraham
    • [gmx-users] LINCS   shahid nayeem
      • [gmx-users] LINCS   Mark Abraham
      • [gmx-users] LINCS   shahid nayeem
      • [gmx-users] LINCS   Mark Abraham
• [gmx-users] structure factor   Tetsuo Shu
  • [gmx-users] xtc file and trr file   Acoot Brett
    • [gmx-users] xtc file and trr file   Chandan Choudhury
    • [gmx-users] xtc file and trr file   Mark Abraham
      • [gmx-users] xtc file and trr file   Acoot Brett
      • [gmx-users] xtc file and trr file   Justin Lemkul
      • [gmx-users] xtc file and trr file   Acoot Brett
      • [gmx-users] xtc file and trr file   Justin Lemkul
      • [gmx-users] xtc file and trr file   Acoot Brett
      • [gmx-users] xtc file and trr file   Justin Lemkul
• [gmx-users] how to check total charge by command?   Albert
  • [gmx-users] how to check total charge by command?   Justin Lemkul
• [gmx-users] 4 question   Hossein Lanjanian
  • [gmx-users] 4 question   Justin Lemkul
    • [gmx-users] 4 question   Hossein Lanjanian
  • [gmx-users] 4 question   Shima Arasteh
    • [gmx-users] 4 question   Justin Lemkul
      • [gmx-users] 4 question   Shima Arasteh
    • [gmx-users] 4 question   Hossein Lanjanian
  • [gmx-users] 4 question   Szilárd Páll
    • [gmx-users] 4 question   Hossein Lanjanian
• [gmx-users] Questions regarding Polarization Energy Calculation   Mark Abraham
  • [gmx-users] Questions regarding Polarization Energy Calculation   jesmin jahan
  • [gmx-users] 2 chain protein and VMD   Acoot Brett
    • [gmx-users] 2 chain protein and VMD   Joaquim Rui de Castro Rodrigues
      • [gmx-users] 2 chain protein and VMD   Acoot Brett
      • [gmx-users] 2 chain protein and VMD   Mark Abraham
• [gmx-users] structure factor   Tetsuo Shu
• [gmx-users] Question about cut-off values with respect to the neighbor list   Andrew DeYoung
  • [gmx-users] Question about cut-off values with respect to the neighbor list   Justin Lemkul
• [gmx-users] KALP15 In DPPC   Shima Arasteh
  • [gmx-users] KALP15 In DPPC   Justin Lemkul
• [gmx-users] Regarding Production MD error   kirubakaran palani
  • [gmx-users] Regarding Production MD error   Emanuel Birru
    • [gmx-users] Regarding Production MD error   kirubakaran palani
  • [gmx-users] Regarding Production MD error   Mark Abraham
• [gmx-users] parameters in *.mdp files   Shima Arasteh
  • [gmx-users] parameters in *.mdp files   Justin Lemkul
    • [gmx-users] parameters in *.mdp files   Shima Arasteh
      • [gmx-users] parameters in *.mdp files   Shima Arasteh
      • [gmx-users] parameters in *.mdp files   Justin Lemkul
• [gmx-users] very strange area/lipid value for POPC membrane system   Albert
  • [gmx-users] very strange area/lipid value for POPC membrane system   Justin Lemkul
    • [gmx-users] very strange area/lipid value for POPC membrane system   Albert
      • [gmx-users] very strange area/lipid value for POPC membrane system   Justin Lemkul
  • [gmx-users] very strange area/lipid value for POPC membrane system   Peter C. Lai
• [gmx-users] eigenvectors with nan values   Joaquim Rui de Castro Rodrigues
  • [gmx-users] eigenvectors with nan values   Mark Abraham
    • [gmx-users] eigenvectors with nan values   Joaquim Rui de Castro Rodrigues
• [gmx-users] When to use Dispersion Correction for Lipid Bilayers   David Ackerman
  • [gmx-users] When to use Dispersion Correction for Lipid Bilayers   Mark Abraham
  • [gmx-users] When to use Dispersion Correction for Lipid Bilayers   Michael Shirts
    • [gmx-users] When to use Dispersion Correction for Lipid Bilayers   Thomas Piggot
• [gmx-users] do_dssp segmental fault   Debajyoti Ghosh
  • [gmx-users] do_dssp segmental fault   archana sonawani
• [gmx-users] PMF - error bars   Steven Neumann
• [gmx-users] LIE calculations   sai nitin
• [gmx-users] g_tune_pme cannot be executed   zifeng li
• [gmx-users] parameters for output control   mohammad agha
  • [gmx-users] parameters for output control   Justin Lemkul
    • [gmx-users] parameters for output control   mohammad agha
      • [gmx-users] parameters for output control   Mark Abraham
      • [gmx-users] parameters for output control   mohammad agha
• [gmx-users] Parallel QM/MM with orca   Jouko Virtanen
  • [gmx-users] Parallel QM/MM with orca   Jose Tusell
• [gmx-users] LIE calculations   sai nitin
  • [gmx-users] LIE calculations   Justin Lemkul
• [gmx-users] double precision or single precision?   Albert
  • [gmx-users] double precision or single precision?   Justin Lemkul
• [gmx-users] Hbond Shake and Gromacs Version Related   Sapna Sarupria
  • [gmx-users] Hbond Shake and Gromacs Version Related   Mark Abraham
    • [gmx-users] Hbond Shake and Gromacs Version Related   Sapna Sarupria
      • [gmx-users] Hbond Shake and Gromacs Version Related   Mark Abraham
      • [gmx-users] Hbond Shake and Gromacs Version Related   Sapna Sarupria
• [gmx-users] rvdw and dispersion correction for amber99sb   Yun Shi
  • [gmx-users] rvdw and dispersion correction for amber99sb   Mark Abraham
    • [gmx-users] rvdw and dispersion correction for amber99sb   Yun Shi
• [gmx-users] any alternative methods?   Albert
  • [gmx-users] any alternative methods?   Mark Abraham
    • [gmx-users] any alternative methods?   Justin Lemkul
    • [gmx-users] any alternative methods?   Albert
      • [gmx-users] any alternative methods?   Mark Abraham
      • [gmx-users] any alternative methods?   Albert
      • [gmx-users] any alternative methods?   Mark Abraham
      • [gmx-users] any alternative methods?   Albert
      • [gmx-users] any alternative methods?   Justin Lemkul
      • [gmx-users] any alternative methods?   Albert
      • [gmx-users] any alternative methods?   Justin Lemkul
      • [gmx-users] any alternative methods?   Albert
      • [gmx-users] any alternative methods?   Justin Lemkul
      • [gmx-users] any alternative methods?   Albert
      • [gmx-users] any alternative methods?   Albert
• [gmx-users] Looking for GPU benchmarks   Mathieu38
  • [gmx-users] Looking for GPU benchmarks   Szilárd Páll
  • [gmx-users] Re: Looking for GPU benchmarks   Mathieu38
    • [gmx-users] Re: Looking for GPU benchmarks   Justin Lemkul
      • [gmx-users] Re: Looking for GPU benchmarks   Mathieu38
      • [gmx-users] Re: Looking for GPU benchmarks   Szilárd Páll
    • [gmx-users] Re: Looking for GPU benchmarks   Szilárd Páll
      • [gmx-users] RE: Looking for GPU benchmarks   Mathieu38
      • [gmx-users] RE: Looking for GPU benchmarks   Szilárd Páll
• [gmx-users] kalp15 in dppc and EM iteration   Shima Arasteh
  • [gmx-users] kalp15 in dppc and EM iteration   Shima Arasteh
  • [gmx-users] EM in kalp15_DPPC   Shima Arasteh
    • [gmx-users] EM in kalp15_DPPC   Justin Lemkul
      • [gmx-users] EM in kalp15_DPPC   Shima Arasteh
      • [gmx-users] EM in kalp15_DPPC   Justin Lemkul
      • [gmx-users] EM in kalp15_DPPC   Shima Arasteh
      • [gmx-users] EM in kalp15_DPPC   Justin Lemkul
      • [gmx-users] EM in kalp15_DPPC   Shima Arasteh
      • [gmx-users] EM in kalp15_DPPC   Justin Lemkul
      • [gmx-users] EM in kalp15_DPPC   Shima Arasteh
• [gmx-users] Pi stacking potential and parameters in Gromacs?   Delmotte, Antoine
  • [gmx-users] Pi stacking potential and parameters in Gromacs?   Justin Lemkul
• [gmx-users] segmentation fault with mdrun   Deepak Ojha
  • [gmx-users] segmentation fault with mdrun   Justin Lemkul
• [gmx-users] deltaG from PMF   Steven Neumann
  • [gmx-users] deltaG from PMF   Justin Lemkul
    • [gmx-users] deltaG from PMF   Steven Neumann
      • [gmx-users] deltaG from PMF   Justin Lemkul
      • [gmx-users] deltaG from PMF   Steven Neumann
      • [gmx-users] deltaG from PMF   Justin Lemkul
      • [gmx-users] deltaG from PMF   Steven Neumann
      • [gmx-users] deltaG from PMF   Justin Lemkul
      • [gmx-users] deltaG from PMF   Steven Neumann
      • [gmx-users] deltaG from PMF   Justin Lemkul
      • [gmx-users] deltaG from PMF   Steven Neumann
• [gmx-users] periodicity in msd calculation   Bala subramanian
  • [gmx-users] periodicity in msd calculation   Justin Lemkul
    • [gmx-users] periodicity in msd calculation   Bala subramanian
      • [gmx-users] periodicity in msd calculation   Justin Lemkul
• [gmx-users] Looking for integration tips: multiple-GPU devices & platform LSF (plus checkpointing)   Chris Dagdigian
• [gmx-users] Re: deltaG from PMF   Thomas Schlesier
  • [gmx-users] Re: deltaG from PMF   Steven Neumann
• [gmx-users] Problem with Gromacs installation with GPU.   jesmin jahan
  • [gmx-users] Problem with Gromacs installation with GPU.   Szilárd Páll
    • [gmx-users] Problem with Gromacs installation with GPU.   jesmin jahan
• [gmx-users] deltaG from PMF   Thomas Schlesier
  • [gmx-users] deltaG from PMF   Steven Neumann
    • [gmx-users] deltaG from PMF   Justin Lemkul
      • [gmx-users] deltaG from PMF   Steven Neumann
• [gmx-users] Trouble with domain decomposition in direction X   virginia miguel
  • [gmx-users] Trouble with domain decomposition in direction X   Justin Lemkul
• [gmx-users] dihedral type equation   tarak karmakar
  • [gmx-users] dihedral type equation   Mark Abraham
• [gmx-users] when new FF would be available in Gromacs website?   Albert
  • [gmx-users] when new FF would be available in Gromacs website?   Justin Lemkul
    • [gmx-users] when new FF would be available in Gromacs website?   Albert
• [gmx-users] elastic network model -protein contracting   mohan maruthi sena
  • [gmx-users] elastic network model -protein contracting   Mark Abraham
• [gmx-users] pdb file error   Sylwia Chmielewska
  • [gmx-users] pdb file error   Justin Lemkul
    • [gmx-users] pdb file error   Sylwia Chmielewska
      • [gmx-users] pdb file error   Justin Lemkul
      • [gmx-users] pdb file error   Sylwia Chmielewska
• [gmx-users] NPT Equilibration error   Ankita naithani
  • [gmx-users] NPT Equilibration error   Justin Lemkul
• [gmx-users] Problem with Gromacs 4.6 installation   jesmin jahan
• [gmx-users] Regarding urea+water.itp   dhaval patel
• [gmx-users] equilibrium stage runs for too long   Clare
  • [gmx-users] equilibrium stage runs for too long   Justin Lemkul
    • [gmx-users] Re: equilibrium stage runs for too long   Clare
      • [gmx-users] Re: equilibrium stage runs for too long   Justin Lemkul
• [gmx-users] Different values of area per lipid with/without protein   Kulleperuma Kulleperuma
  • [gmx-users] Different values of area per lipid with/without protein   Justin Lemkul
• [gmx-users] what's the difference between gen_seed and ld_seed?   Albert
  • [gmx-users] what's the difference between gen_seed and ld_seed?   Justin Lemkul
    • [gmx-users] what's the difference between gen_seed and ld_seed?   Albert
  • [gmx-users] what's the difference between gen_seed and ld_seed?   Peter C. Lai
• [gmx-users] Problem with "The requested platform "CUDA" could not be found"   jesmin jahan
• [gmx-users] Re: equilibrium stage runs for too long   Dr. Vitaly Chaban
  • [gmx-users] Re: equilibrium stage runs for too long   Clare
    • [gmx-users] Re: equilibrium stage runs for too long   Justin Lemkul
      • [gmx-users] Re: equilibrium stage runs for too long   Clare
• [gmx-users] Re: equilibrium stage runs for too long   Dr. Vitaly Chaban
  • [gmx-users] Re: equilibrium stage runs for too long   Clare
    • [gmx-users] Re: equilibrium stage runs for too long   Justin Lemkul
• [gmx-users] Gromacs-4.5.5 on GPU : Floating point exception   San B
• [gmx-users] what's the difference between gen_seed and ld_seed?   Thomas Schlesier
• [gmx-users] BAR / g_bar problems   David van der Spoel
  • [gmx-users] BAR / g_bar problems   Michael Shirts
  • [gmx-users] BAR / g_bar problems   Dallas Warren
• [gmx-users] CHARMM and FEP calculations   Wright, Louise
  • [gmx-users] CHARMM and FEP calculations   Mark Abraham
• [gmx-users] g_rms and g_rmsdist on initial structure   Hsin-Lin Chiang
  • [gmx-users] g_rms and g_rmsdist on initial structure   Erik Marklund
    • [gmx-users] Re: g_rms and g_rmsdist on initial structure   Hsinlin
    • [gmx-users] Re: g_rms and g_rmsdist on initial structure   Hsinlin
      • [gmx-users] Re: g_rms and g_rmsdist on initial structure   Erik Marklund
• [gmx-users] deltaG from PMF   Thomas Schlesier
  • [gmx-users] deltaG from PMF   Steven Neumann
    • [gmx-users] deltaG from PMF   Steven Neumann
      • [gmx-users] deltaG from PMF   Erik Marklund
      • [gmx-users] deltaG from PMF   Steven Neumann
      • [gmx-users] deltaG from PMF   Erik Marklund
      • [gmx-users] deltaG from PMF   Steven Neumann
      • [gmx-users] deltaG from PMF   Erik Marklund
• [gmx-users] KALP15-DPPC Tutorial   Shima Arasteh
  • [gmx-users] KALP15-DPPC Tutorial   Justin Lemkul
• [gmx-users] Electrostatics and van Der Waals in Gromacs   Delmotte, Antoine
• [gmx-users] g_tune_pme restart   Albert
• [gmx-users] g_tune_pme restart   Roland Schulz
• [gmx-users] Topology- make bonds with certain cut-off distance   mohan maruthi sena
  • [gmx-users] Topology- make bonds with certain cut-off distance   Erik Marklund
    • [gmx-users] Topology- make bonds with certain cut-off distance   mohan maruthi sena
      • [gmx-users] Topology- make bonds with certain cut-off distance   Mark Abraham
• [gmx-users] how to optimize performance of IBM Power 775?   Albert
• [gmx-users] g_tune_pme optimal PME nodes for multiple nodes   Chandan Choudhury
• [gmx-users] Force fields, is there a review article?   Ladasky
  • [gmx-users] Force fields, is there a review article?   Luca Mollica
    • [gmx-users] Force fields, is there a review article?   David van der Spoel
    • [gmx-users] Re: Force fields, is there a review article?   Ladasky
• [gmx-users] User specified potential functions   toby10222224
  • [gmx-users] User specified potential functions   Mark Abraham
• [gmx-users] Error:The selected GPU (#0, Tesla M2090) is not supported by Gromacs!   jesmin jahan
  • [gmx-users] Error:The selected GPU (#0, Tesla M2090) is not supported by Gromacs!   Justin Lemkul
    • [gmx-users] Error:The selected GPU (#0, Tesla M2090) is not supported by Gromacs!   jesmin jahan
      • [gmx-users] Error:The selected GPU (#0, Tesla M2090) is not supported by Gromacs!   Justin Lemkul
• [gmx-users] grompp in KALP15-DPPC   Shima Arasteh
  • [gmx-users] grompp in KALP15-DPPC   Justin Lemkul
    • [gmx-users] grompp in KALP15-DPPC   Shima Arasteh
      • [gmx-users] grompp in KALP15-DPPC   Justin Lemkul
      • [gmx-users] grompp in KALP15-DPPC   Shima Arasteh
• [gmx-users] Elastic network model -gromacs   mohan maruthi sena
• [gmx-users] how to optimize performance of IBM Power 775?   Christopher Neale
  • [gmx-users] GROMACS command for energy calculation   Acoot Brett
    • [gmx-users] GROMACS command for energy calculation   Justin Lemkul
      • [gmx-users] GROMACS command for energy calculation   Acoot Brett
      • [gmx-users] GROMACS command for energy calculation   Justin Lemkul
      • [gmx-users] GROMACS command for energy calculation   Mark Abraham
      • [gmx-users] GROMACS command for energy calculation   Acoot Brett
      • [gmx-users] GROMACS command for energy calculation   Justin Lemkul
      • [gmx-users] GROMACS command for energy calculation   Acoot Brett
      • [gmx-users] GROMACS command for energy calculation   Mark Abraham
      • [gmx-users] GROMACS command for energy calculation   Acoot Brett
      • [gmx-users] GROMACS command for energy calculation   Justin Lemkul
      • [gmx-users] GROMACS command for energy calculation   Mark Abraham
• [gmx-users] NPT equilibration in KALP15-DPPC   Shima Arasteh
  • [gmx-users] NPT equilibration in KALP15-DPPC   Justin Lemkul
    • [gmx-users] NPT equilibration in KALP15-DPPC   Shima Arasteh
      • [gmx-users] NPT equilibration in KALP15-DPPC   Justin Lemkul
      • [gmx-users] NPT equilibration in KALP15-DPPC   Shima Arasteh
      • [gmx-users] NPT equilibration in KALP15-DPPC   Justin Lemkul
      • [gmx-users] NPT equilibration in KALP15-DPPC   Shima Arasteh
      • [gmx-users] NPT equilibration in KALP15-DPPC   Justin Lemkul
• [gmx-users] Elastic network model -building   mohan maruthi sena
  • [gmx-users] Elastic network model -building   XAvier Periole
    • [gmx-users] Elastic network model -building   mohan maruthi sena
      • [gmx-users] Elastic network model -building   XAvier Periole
• [gmx-users] User specified potential functions   toby10222224
• [gmx-users] overlaps atoms during solvation(genbox)   Vasumathi Velachi
  • [gmx-users] overlaps atoms during solvation(genbox)   Justin Lemkul
• [gmx-users] test, please ignore   Rossen Apostolov
• [gmx-users] Re: [gmx-developers] Mails rejected with "The message's content type was not explicitly allowed"   Rossen Apostolov
• [gmx-users] Variation of box angles - regd   ramesh cheerla
  • [gmx-users] Variation of box angles - regd   Tsjerk Wassenaar
    • [gmx-users] Variation of box angles - regd   ramesh cheerla
• [gmx-users] Broken protein after EM   Shima Arasteh
  • [gmx-users] Broken protein after EM   Justin Lemkul
• [gmx-users] Incorrect bond in top file   Shima Arasteh
  • [gmx-users] Incorrect bond in top file   Justin Lemkul
    • [gmx-users] Incorrect bond in top file   Shima Arasteh
      • [gmx-users] Incorrect bond in top file   Justin Lemkul
      • [gmx-users] Incorrect bond in top file   Shima Arasteh
      • [gmx-users] Incorrect bond in top file   Shima Arasteh
      • [gmx-users] Incorrect bond in top file   Justin Lemkul
      • [gmx-users] Incorrect bond in top file   Shima Arasteh
      • [gmx-users] Incorrect bond in top file   Justin Lemkul
• [gmx-users] Problem with incorrect GB-Polarization Energy Value   jesmin jahan
  • [gmx-users] Problem with incorrect GB-Polarization Energy Value   Mark Abraham
    • [gmx-users] Problem with incorrect GB-Polarization Energy Value   jesmin jahan
      • [gmx-users] Problem with incorrect GB-Polarization Energy Value   Justin Lemkul
      • [gmx-users] Problem with incorrect GB-Polarization Energy Value   jesmin jahan
      • [gmx-users] Problem with incorrect GB-Polarization Energy Value   Justin Lemkul
      • [gmx-users] Problem with incorrect GB-Polarization Energy Value   Mark Abraham
• [gmx-users] Question about Multi-level parallelization: MPI and OpenMP   jesmin jahan
  • [gmx-users] Question about Multi-level parallelization: MPI and OpenMP   Mark Abraham
    • [gmx-users] Question about Multi-level parallelization: MPI and OpenMP   jesmin jahan
• [gmx-users] Force Field Choice   Marcelo Depolo
  • [gmx-users] Force Field Choice   Justin Lemkul
• [gmx-users] mdrun_gpu on NVidia Quadro 2000   Mauricio Carrillo Tripp
  • [gmx-users] mdrun_gpu on NVidia Quadro 2000   Szilárd Páll
• [gmx-users] Re: mdrun on GROMACS 3.3.1   Sheeba
  • [gmx-users] Re: mdrun on GROMACS 3.3.1   Francesca Vitalini
    • [gmx-users] Re: mdrun on GROMACS 3.3.1   Sheeba
• [gmx-users] water layer with g_select   Bala subramanian
  • [gmx-users] water layer with g_select   Mark Abraham
    • [gmx-users] water layer with g_select   Bala subramanian
      • [gmx-users] water layer with g_select   Mark Abraham
      • [gmx-users] water layer with g_select   Bala subramanian
      • [gmx-users] water layer with g_select   Mark Abraham
• [gmx-users] (no subject)   Lingyun Wang
  • [gmx-users] (no subject)   Justin Lemkul
• [gmx-users] g_tune_pme for multiple nodes   Chandan Choudhury
• [gmx-users] virtual site of Au crystal   fatemeh ramezani
• [gmx-users] Problem with OMP_NUM_THREADS=12 mpirun -np 16 mdrun_mpi   jesmin jahan
  • [gmx-users] Problem with OMP_NUM_THREADS=12 mpirun -np 16 mdrun_mpi   David van der Spoel
  • [gmx-users] Problem with OMP_NUM_THREADS=12 mpirun -np 16 mdrun_mpi   Szilárd Páll
    • [gmx-users] Problem with OMP_NUM_THREADS=12 mpirun -np 16 mdrun_mpi   jesmin jahan
• [gmx-users] mismatch atoms?   Albert
  • [gmx-users] mismatch atoms?   Mark Abraham
• [gmx-users] Positions available for Postdocs and PhD students in the Molecular Biomechanics group at HITS, Heidelberg   Frauke Graeter
• [gmx-users] Charges for Coulomb potential   Delmotte, Antoine
  • [gmx-users] Charges for Coulomb potential   Mark Abraham
    • [gmx-users] Charges for Coulomb potential   Delmotte, Antoine
      • [gmx-users] Charges for Coulomb potential   Mark Abraham
      • [gmx-users] Charges for Coulomb potential   Delmotte, Antoine
• [gmx-users] customized pairtypes with OPLS/AA   Krzysztof Murzyn
  • [gmx-users] customized pairtypes with OPLS/AA   Justin Lemkul
    • [gmx-users] customized pairtypes with OPLS/AA   Krzysztof Murzyn
      • [gmx-users] customized pairtypes with OPLS/AA   Justin Lemkul
• [gmx-users] Problem with incorrect GB-Polarization Energy Value   jesmin jahan
  • [gmx-users] Problem with incorrect GB-Polarization Energy Value   Justin Lemkul
    • [gmx-users] Problem with incorrect GB-Polarization Energy Value   jesmin jahan
      • [gmx-users] Problem with incorrect GB-Polarization Energy Value   Mark Abraham
• [gmx-users] extra Oxygen ....upon modification of middle residue   tarak karmakar
  • [gmx-users] extra Oxygen ....upon modification of middle residue   Justin Lemkul
    • [gmx-users] extra Oxygen ....upon modification of middle residue   tarak karmakar
• [gmx-users] System neutralization in Thermodynamic Integration   Leandro Bortot
• [gmx-users] Problem with OMP_NUM_THREADS=12 mpirun -np 16 mdrun_mpi   Roland Schulz
  • [gmx-users] Problem with OMP_NUM_THREADS=12 mpirun -np 16 mdrun_mpi   Szilárd Páll
• [gmx-users] Generating insertion mutants   shahid nayeem
  • [gmx-users] Generating insertion mutants   Tsjerk Wassenaar
• [gmx-users] Elastic network model   mohan maruthi sena
  • [gmx-users] Elastic network model   Tsjerk Wassenaar
    • [gmx-users] Elastic network model   mohan maruthi sena
      • [gmx-users] Elastic network model   Tsjerk Wassenaar
      • [gmx-users] Elastic network model   mohan maruthi sena
      • [gmx-users] Elastic network model   Mark Abraham
      • [gmx-users] Elastic network model   Mark Abraham
      • [gmx-users] Elastic network model   mohan maruthi sena
      • [gmx-users] Elastic network model   mohan maruthi sena
      • [gmx-users] Elastic network model   Bogdan Costescu
      • [gmx-users] Elastic network model   Warren Gallin
• [gmx-users] building_insertion_mutants   shahid nayeem
  • [gmx-users] building_insertion_mutants   Erik Marklund
• [gmx-users] generating tripeptides in a box   Pim Frederix
  • [gmx-users] generating tripeptides in a box   Tsjerk Wassenaar
• [gmx-users] SangbaeLee: about Gromos forcefield regarding DDM detergent   Lee, Sangbae
• [gmx-users] help with "interaction of type atom in the topology database, but an atom of that name was not found in residue" error   Katrina Lexa
  • [gmx-users] help with "interaction of type atom in the topology database, but an atom of that name was not found in residue" error   Justin Lemkul
• [gmx-users] Glycoproteion MD   陈应广
  • [gmx-users] Glycoproteion MD   Justin Lemkul
  • [gmx-users] Glycoproteion MD   lloyd riggs
  • [gmx-users] Glycoproteion MD   Leandro Bortot
• [gmx-users] Re: help with "interaction of type atom in the topology"...   klexa
  • [gmx-users] Re: help with "interaction of type atom in the topology"...   Mark Abraham
• [gmx-users] Structure factor reference   Tetsuo Shu
• [gmx-users] Umbrella Sampling Pull code Problem   Steinbrecher, Thomas (IPC)
  • [gmx-users] Umbrella Sampling Pull code Problem   Jianguo Li
  • [gmx-users] Umbrella Sampling Pull code Problem   Bogdan Costescu
  • [gmx-users] Re: Umbrella Sampling Pull code Problem   Sheeba
• 回复： [gmx-users] Glycoproteion MD   陈应广
• [gmx-users] Glycoproteion MD   Laercio Pol Fachin
• [gmx-users] Turning off electrostatics between groups using custom tables?   Smitty
  • [gmx-users] Turning off electrostatics between groups using custom tables?   Mark Abraham
    • [gmx-users] Re: Turning off electrostatics between groups using custom tables?   Smitty

Last message date: Fri Aug 31 22:28:42 CEST 2012
Archived on: Thu Nov 14 12:13:17 CET 2013

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