July 2015 Archives by thread

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Starting: Wed Jul 1 00:01:45 CEST 2015
Ending: Fri Jul 31 18:27:31 CEST 2015
Messages: 742

• [gmx-users] Creating custom position restraints for a multi-chain protein   Justin Lemkul
  • [gmx-users] Creating custom position restraints for a multi-chain protein   Kolmus, Elizabeth K.
• [gmx-users] Compiling GMX for GPU   Fabricio Cannini
  • [gmx-users] Compiling GMX for GPU   Alex
• [gmx-users] Problem in .gro file   faride badalkhani
  • [gmx-users] Problem in .gro file   Justin Lemkul
    • [gmx-users] Problem in .gro file   faride badalkhani
      • [gmx-users] Problem in .gro file   Justin Lemkul
      • [gmx-users] Problem in .gro file   faride badalkhani
      • [gmx-users] Problem in .gro file   Justin Lemkul
• [gmx-users] GPU and aux power supply   Alex
  • [gmx-users] GPU and aux power supply   Szilárd Páll
    • [gmx-users] GPU and aux power supply   Alex
      • [gmx-users] GPU and aux power supply   Szilárd Páll
      • [gmx-users] GPU and aux power supply   Alex
      • [gmx-users] GPU and aux power supply   Alex
      • [gmx-users] GPU and aux power supply   Alex
      • [gmx-users] GPU and aux power supply   Mark Abraham
• [gmx-users] Error in volume coupling, no domain decomposition   shabana yasmeen
  • [gmx-users] Error in volume coupling, no domain decomposition   Justin Lemkul
• [gmx-users] (no subject)   RINU KHATTRI
  • [gmx-users] (no subject)   Justin Lemkul
• [gmx-users] Gromacs MD application expert position in Stockholm   Erik Lindahl
• [gmx-users] calculation radial concentration plots   soumadwip ghosh
  • [gmx-users] calculation radial concentration plots   Felipe Merino
• [gmx-users] g_rdf   Yulian Gavrilov
• [gmx-users] DNA virtual site with Charmm force field   Terry
  • [gmx-users] DNA virtual site with Charmm force field   Erik Marklund
    • [gmx-users] DNA virtual site with Charmm force field   Terry
• [gmx-users] calculation radial concentration plots   soumadwip ghosh
• [gmx-users] Protein-DNA simulation LINKS error   Timofey Tyugashev
  • [gmx-users] Protein-DNA simulation LINKS error   Justin Lemkul
• [gmx-users] patched version installation for free energy   Ahmet Yıldırım
  • [gmx-users] patched version installation for free energy   Justin Lemkul
    • [gmx-users] patched version installation for free energy   Ahmet Yıldırım
      • [gmx-users] patched version installation for free energy   Justin Lemkul
      • [gmx-users] patched version installation for free energy   Ahmet Yıldırım
      • [gmx-users] patched version installation for free energy   Ahmet Yıldırım
      • [gmx-users] patched version installation for free energy   Justin Lemkul
      • [gmx-users] patched version installation for free energy   Ahmet Yıldırım
      • [gmx-users] patched version installation for free energy   Justin Lemkul
• [gmx-users] pdb2gmx warning residue mapping   Nikhil
  • [gmx-users] pdb2gmx warning residue mapping   Justin Lemkul
• [gmx-users] gromacs.org_gmx-users Digest, Vol 135, Issue 5   Timofey Tyugashev
• [gmx-users] To post   Dr. Seema Mishra
• [gmx-users] metal nanoparticles   Nima Sa
  • [gmx-users] metal nanoparticles   Alex
    • [gmx-users] metal nanoparticles   Nima Sa
• [gmx-users] LINCS warnings for a single molecule in otherwise stable system   Cara Kreck
  • [gmx-users] LINCS warnings for a single molecule in otherwise stable system   Mark Abraham
• [gmx-users] LINCS warnings for a single molecule in otherwise stable system   Cara Kreck
• [gmx-users] Translating .frcmod and .prep to .itp   Timofey Tyugashev
  • [gmx-users] Translating .frcmod and .prep to .itp   范聪
  • [gmx-users] Translating .frcmod and .prep to .itp   Justin Lemkul
• [gmx-users] temperature variation of all-atom CHARMM force fields   soumadwip ghosh
  • [gmx-users] temperature variation of all-atom CHARMM force fields   Justin Lemkul
    • [gmx-users] temperature variation of all-atom CHARMM force fields   Mark Abraham
• [gmx-users] Verlet cutoff scheme and implicit solvent with PBC=no   Andras Szilagyi
  • [gmx-users] Verlet cutoff scheme and implicit solvent with PBC=no   Mark Abraham
• [gmx-users] uninstallation- removing unknown files from bin   Maryam Kowsar
• [gmx-users] temperature variation of all-atom CHARMM force field   soumadwip ghosh
• [gmx-users] Adding ions to membrane protein system   anu chandra
  • [gmx-users] Adding ions to membrane protein system   Mark Abraham
    • [gmx-users] Adding ions to membrane protein system   João Martins
      • [gmx-users] Adding ions to membrane protein system   Mark Abraham
• [gmx-users] How to mention torsional parameter in toplogy   Tushar Ranjan Moharana
  • [gmx-users] How to mention torsional parameter in toplogy   Mark Abraham
• [gmx-users] Regarding GROMACS   Sivanandam M
  • [gmx-users] Regarding GROMACS   Terry
• [gmx-users] Energy contribution of individual residues   Dr. Seema Mishra
  • [gmx-users] Energy contribution of individual residues   Erik Marklund
  • [gmx-users] Energy contribution of individual residues   Victor Rosas Garcia
• [gmx-users] Temperature variation of CHARMM force field   soumadwip ghosh
  • [gmx-users] Temperature variation of CHARMM force field   Justin Lemkul
• [gmx-users] RDF for molecules above a surface   Jingjie Yeo (IHPC)
• [gmx-users] Regarding PMF profile in umbrella samplling   Sathish Kumar
  • [gmx-users] Regarding PMF profile in umbrella samplling   Erik Marklund
    • [gmx-users] Regarding PMF profile in umbrella samplling   Sathish Kumar
      • [gmx-users] Regarding PMF profile in umbrella samplling   Sathish Kumar
      • [gmx-users] Regarding PMF profile in umbrella samplling   Erik Marklund
      • [gmx-users] Regarding PMF profile in umbrella samplling   Sathish Kumar
      • [gmx-users] Regarding PMF profile in umbrella samplling   Erik Marklund
      • [gmx-users] Regarding PMF profile in umbrella samplling   Sathish Kumar
  • [gmx-users] Fwd: Regarding PMF profile in umbrella samplling   Sathish Kumar
• [gmx-users] PBC issue   tm651209
  • [gmx-users] PBC issue   Christopher Neale
• [gmx-users] Install gromacs with intermolecular bonded interaction support   Hassan Aaryapour
  • [gmx-users] Install gromacs with intermolecular bonded interaction support   Mark Abraham
• [gmx-users] Topology for ready-made membrane protein system   anu chandra
  • [gmx-users] Topology for ready-made membrane protein system   Justin Lemkul
    • [gmx-users] Topology for ready-made membrane protein system   anu chandra
      • [gmx-users] Topology for ready-made membrane protein system   Justin Lemkul
      • [gmx-users] Topology for ready-made membrane protein system   Mark Abraham
• [gmx-users] HBlife time   Nilesh Dhumal
  • [gmx-users] HBlife time   Erik Marklund
• [gmx-users] Vector calculation of COM of a molecule   Him Shweta
  • [gmx-users] Vector calculation of COM of a molecule   Erik Marklund
• [gmx-users] Topology for ready-made membrane protein system   anu chandra
• [gmx-users] Missing terminal cap group   anu chandra
  • [gmx-users] Missing terminal cap group   Justin Lemkul
    • [gmx-users] Missing terminal cap group   anu chandra
      • [gmx-users] Missing terminal cap group   Justin Lemkul
• [gmx-users] GPU and aux power supply   Alex
• [gmx-users] Hydrogen bonds   Dr. Seema Mishra
• [gmx-users] Hydrogen bonds   soumadwip ghosh
  • [gmx-users] Hydrogen bonds   Dr. Seema Mishra
    • [gmx-users] Hydrogen bonds   Justin Lemkul
• [gmx-users] Why is there a difference between an angle of 0 or 180 deg. for a type 9 proper dihedral with multiplicity of 2?   Christopher Neale
  • [gmx-users] Why is there a difference between an angle of 0 or 180 deg. for a type 9 proper dihedral with multiplicity of 2?   Justin Lemkul
    • [gmx-users] Why is there a difference between an angle of 0 or 180 deg. for a type 9 proper dihedral with multiplicity of 2?   Christopher Neale
      • [gmx-users] Why is there a difference between an angle of 0 or 180 deg. for a type 9 proper dihedral with multiplicity of 2?   Christopher Neale
      • [gmx-users] Why is there a difference between an angle of 0 or 180 deg. for a type 9 proper dihedral with multiplicity of 2?   Justin Lemkul
      • [gmx-users] Why is there a difference between an angle of 0 or 180 deg. for a type 9 proper dihedral with multiplicity of 2?   Christopher Neale
      • [gmx-users] Why is there a difference between an angle of 0 or 180 deg. for a type 9 proper dihedral with multiplicity of 2?   Justin Lemkul
      • [gmx-users] Why is there a difference between an angle of 0 or 180 deg. for a type 9 proper dihedral with multiplicity of 2?   Christopher Neale
• [gmx-users] calculating electric field force   mah maz
• [gmx-users] freezing graphene sheet   Golnaz Roudsari
  • [gmx-users] freezing graphene sheet   Alex
    • [gmx-users] freezing graphene sheet   Maryam Kowsar
• [gmx-users] Hydrogen bonds   soumadwip ghosh
• [gmx-users] GPU gromacs   James Lord
  • [gmx-users] GPU gromacs   Szilárd Páll
    • [gmx-users] GPU gromacs   James Lord
• [gmx-users] Temperature variation of CHARMM force field   soumadwip ghosh
• [gmx-users] pdb2gmx error   Saman Shahriyari
• [gmx-users] Measuring the Influence of Harmonic Restraints   Natalie Nguyen
• [gmx-users] gromacs 5.0 tools: gmx distance and gmx mindist time series   Ullmann, Thomas
• [gmx-users] restrain COM of a group of atoms   Ming Tang
  • [gmx-users] restrain COM of a group of atoms   V.V.Chaban
    • [gmx-users] restrain COM of a group of atoms   Ming Tang
• [gmx-users] pdb2gmx error   Saman Shahriyari
  • [gmx-users] pdb2gmx error   Sotirios Dionysios I. Papadatos
• [gmx-users] on trjcat command   Brett
  • [gmx-users] on trjcat command   Tsjerk Wassenaar
• [gmx-users] g_clustsize   V.V.Chaban
  • [gmx-users] g_clustsize   David van der Spoel
    • [gmx-users] g_clustsize   V.V.Chaban
      • [gmx-users] g_clustsize   David van der Spoel
• [gmx-users] Installation problem   Nima Soltani
  • [gmx-users] Installation problem   Mark Abraham
• [gmx-users] GPU/CPU load imbalance   Pappu Kumar
  • [gmx-users] GPU/CPU load imbalance   Szilárd Páll
    • [gmx-users] GPU/CPU load imbalance   Pappu Kumar
• [gmx-users] monitor the size of the computational box   Giannis Gl
  • [gmx-users] monitor the size of the computational box   Justin Lemkul
  • [gmx-users] Fwd: monitor the size of the computational box   Giannis Gl
    • [gmx-users] Fwd: monitor the size of the computational box   Peter Kroon
• [gmx-users] Gromcas tools listing with 'gmx'   anu chandra
  • [gmx-users] Gromcas tools listing with 'gmx'   Mark Abraham
    • [gmx-users] Gromcas tools listing with 'gmx'   Alex
      • [gmx-users] Gromcas tools listing with 'gmx'   anu chandra
      • [gmx-users] Gromcas tools listing with 'gmx'   Mark Abraham
      • [gmx-users] Gromcas tools listing with 'gmx'   anu chandra
• [gmx-users] GROMACS 5.1 release candidate available   Mark Abraham
• [gmx-users] trouble diagnosing a simulation that's blowing up (shake not converging --> segmentation fault)   Nathan K Houtz
  • [gmx-users] trouble diagnosing a simulation that's blowing up (shake not converging --> segmentation fault)   Mark Abraham
  • [gmx-users] trouble diagnosing a simulation that's blowing up (shake not converging --> segmentation fault)   Nathan K Houtz
    • [gmx-users] trouble diagnosing a simulation that's blowing up (shake not converging --> segmentation fault)   Justin Lemkul
      • [gmx-users] trouble diagnosing a simulation that's blowing up (shake not converging --> segmentation fault)   Nathan K Houtz
      • [gmx-users] trouble diagnosing a simulation that's blowing up (shake not converging --> segmentation fault)   Justin Lemkul
      • [gmx-users] trouble diagnosing a simulation that's blowing up (shake not converging --> segmentation fault)   Nathan K Houtz
      • [gmx-users] trouble diagnosing a simulation that's blowing up (shake not converging --> segmentation fault)   Mark Abraham
      • [gmx-users] trouble diagnosing a simulation that's blowing up (shake not converging --> segmentation fault)   Nathan K Houtz
      • [gmx-users] trouble diagnosing a simulation that's blowing up (shake not converging --> segmentation fault)   Mark Abraham
      • [gmx-users] trouble diagnosing a simulation that's blowing up (shake not converging --> segmentation fault)   Justin Lemkul
      • [gmx-users] trouble diagnosing a simulation that's blowing up (shake not converging --> segmentation fault)   Justin Lemkul
• [gmx-users] question   Atila Petrosian
  • [gmx-users] question   Mark Abraham
• [gmx-users] Building gromacs on CRAY XC40   Sabyasachi Sahoo
• [gmx-users] How to justify when the trajectory reached equilibrium   Qing Lv
• [gmx-users] Building gromacs on CRAY XC40   Roland Schulz
  • [gmx-users] Building gromacs on CRAY XC40   Sabyasachi Sahoo
• [gmx-users] gromacs gpu code   Wayne Liang
  • [gmx-users] gromacs gpu code   Mark Abraham
• [gmx-users] Calculating hydrogen bonding density - issues with g_sas?   Dan Gil
  • [gmx-users] Calculating hydrogen bonding density - issues with g_sas?   Mark Abraham
    • [gmx-users] Calculating hydrogen bonding density - issues with g_sas?   Dan Gil
      • [gmx-users] Calculating hydrogen bonding density - issues with g_sas?   Dan Gil
      • [gmx-users] Calculating hydrogen bonding density - issues with g_sas?   Teemu Murtola
• [gmx-users] element symbol column in a pdb using editconf   Rebeca García Fandiño
  • [gmx-users] element symbol column in a pdb using editconf   Mark Abraham
    • [gmx-users] element symbol column in a pdb using editconf   Rebeca García Fandiño
      • [gmx-users] element symbol column in a pdb using editconf   Mark Abraham
      • [gmx-users] element symbol column in a pdb using editconf   Rebeca García Fandiño
      • [gmx-users] element symbol column in a pdb using editconf   Mark Abraham
      • [gmx-users] element symbol column in a pdb using editconf   Rebeca García Fandiño
• [gmx-users] How to add a repulsive harmonic potential through define virtual atom?   masoud aliyar
  • [gmx-users] How to add a repulsive harmonic potential through define virtual atom?   Justin Lemkul
• [gmx-users] how to make 8M solutions??   SAPNA BORAH
  • [gmx-users] how to make 8M solutions??   Mark Abraham
    • [gmx-users] how to make 8M solutions??   SAPNA BORAH
• [gmx-users] no GPU detected   Albert
  • [gmx-users] no GPU detected   Mark Abraham
    • [gmx-users] no GPU detected   Albert
      • [gmx-users] no GPU detected   Mark Abraham
      • [gmx-users] no GPU detected   Szilárd Páll
      • [gmx-users] no GPU detected   Albert
• [gmx-users] pdb2gmx error with addition of terminal group   anu chandra
  • [gmx-users] pdb2gmx error with addition of terminal group   Justin Lemkul
    • [gmx-users] pdb2gmx error with addition of terminal group   anu chandra
• [gmx-users] color map   vgsplayer1
  • [gmx-users] color map   Justin Lemkul
• [gmx-users] Problem in equilibration of POPS lipid bilayer   Padmani Sandhu
  • [gmx-users] Problem in equilibration of POPS lipid bilayer   Justin Lemkul
• [gmx-users] Multiple output trajectories with different sampling frequencies   Machtens, Jan-Philipp
  • [gmx-users] Multiple output trajectories with different sampling frequencies   Mark Abraham
• [gmx-users] Simulating Peptides   su
  • [gmx-users] Simulating Peptides   Mateusz Marianski
    • [gmx-users] Simulating Peptides   su
• [gmx-users] Free energy change with harmonic restraints   Natalie Nguyen
  • [gmx-users] Free energy change with harmonic restraints   asaffarhi at post.tau.ac.il
    • [gmx-users] Free energy change with harmonic restraints   Natalie Nguyen
      • [gmx-users] Free energy change with harmonic restraints   hannes.loeffler at stfc.ac.uk
      • [gmx-users] Free energy change with harmonic restraints   asaffarhi at post.tau.ac.il
      • [gmx-users] Free energy change with harmonic restraints   asaffarhi at post.tau.ac.il
      • [gmx-users] Free energy change with harmonic restraints   Natalie Nguyen
      • [gmx-users] Free energy change with harmonic restraints   asaffarhi at post.tau.ac.il
      • [gmx-users] Free energy change with harmonic restraints   Natalie Nguyen
      • [gmx-users] Free energy change with harmonic restraints   asaffarhi at post.tau.ac.il
      • [gmx-users] Free energy change with harmonic restraints   Natalie Nguyen
      • [gmx-users] Free energy change with harmonic restraints   asaffarhi at post.tau.ac.il
      • [gmx-users] Free energy change with harmonic restraints   bipin singh
• [gmx-users] pdb2gmx error "residue not found in residue topology database"   Hamisu Aliyu Mohd
  • [gmx-users] pdb2gmx error "residue not found in residue topology database"   Peter Stern
    • [gmx-users] pdb2gmx error "residue not found in residue topology database"   su
      • [gmx-users] pdb2gmx error "residue not found in residue topology database"   Peter Stern
      • [gmx-users] pdb2gmx error "residue not found in residue topology database"   su
      • [gmx-users] pdb2gmx error "residue not found in residue topology database"   Hamisu Aliyu Mohd
• [gmx-users] Fw: Simulation of polarizable Carbon nanotubes   S.M. Golam Mortuza
  • [gmx-users] Fw: Simulation of polarizable Carbon nanotubes   Justin Lemkul
  • [gmx-users] Fw: Simulation of polarizable Carbon nanotubes   Justin Lemkul
• [gmx-users] Energy minimization   Malihe Hasanzadeh
  • [gmx-users] Energy minimization   Justin Lemkul
• [gmx-users] How to justify when the trajectory reached equilibrium   Qing Lv
  • [gmx-users] How to justify when the trajectory reached equilibrium   Justin Lemkul
    • [gmx-users] How to justify when the trajectory reached equilibrium   Qing Lv
      • [gmx-users] How to justify when the trajectory reached equilibrium   Justin Lemkul
      • [gmx-users] How to justify when the trajectory reached equilibrium   Qing Lv
      • [gmx-users] How to justify when the trajectory reached equilibrium   Justin Lemkul
      • [gmx-users] How to justify when the trajectory reached equilibrium   Qing Lv
• [gmx-users] Problem in equilibration of POPS lipid bilayer   Padmani Sandhu
• [gmx-users] Grompp checkpoint bug?   Dries Van Rompaey
  • [gmx-users] Grompp checkpoint bug?   Mark Abraham
• [gmx-users] Problem with the MDS extended trajectory in Gromacs 5.04   PAULAMI CHATTERJEE
  • [gmx-users] Problem with the MDS extended trajectory in Gromacs 5.04   Justin Lemkul
    • [gmx-users] Problem with the MDS extended trajectory in Gromacs 5.04   PAULAMI CHATTERJEE
      • [gmx-users] Problem with the MDS extended trajectory in Gromacs 5.04   Justin Lemkul
      • [gmx-users] Problem with the MDS extended trajectory in Gromacs 5.04   PAULAMI CHATTERJEE
      • [gmx-users] Problem with the MDS extended trajectory in Gromacs 5.04   Justin Lemkul
• [gmx-users] (no subject)   PAULAMI CHATTERJEE
  • [gmx-users] (no subject)   tarak karmakar
• [gmx-users] Problem with the MDS extended trajectory in GROMACS 5.0.4   soumadwip ghosh
  • [gmx-users] Problem with the MDS extended trajectory in GROMACS 5.0.4   PAULAMI CHATTERJEE
• [gmx-users] echo "15 y 1 1 ......" failed for "gmx pdb2gmx" with "-merge"   Zhang, Cheng
• [gmx-users] after extending simulation   Andrea Spinelli
  • [gmx-users] after extending simulation   Justin Lemkul
    • [gmx-users] after extending simulation   Andrea Spinelli
      • [gmx-users] after extending simulation   Justin Lemkul
      • [gmx-users] after extending simulation   Andrea Spinelli
      • [gmx-users] after extending simulation   Justin Lemkul
      • [gmx-users] after extending simulation   Andrea Spinelli
      • [gmx-users] after extending simulation   Justin Lemkul
• [gmx-users] maintaining stability when uncoupling ion pairs   andrew biedermann
  • [gmx-users] maintaining stability when uncoupling ion pairs   Michael Shirts
• [gmx-users] g_hbond   Nilesh Dhumal
  • [gmx-users] g_hbond   Justin Lemkul
    • [gmx-users] g_hbond   Nilesh Dhumal
      • [gmx-users] g_hbond   Justin Lemkul
      • [gmx-users] g_hbond   Nilesh Dhumal
      • [gmx-users] g_hbond   Nilesh Dhumal
      • [gmx-users] g_hbond   Erik Marklund
      • [gmx-users] g_hbond   Nilesh Dhumal
      • [gmx-users] g_hbond   Erik Marklund
      • [gmx-users] g_hbond   Nilesh Dhumal
      • [gmx-users] g_hbond   Erik Marklund
      • [gmx-users] g_hbond   Nilesh Dhumal
• [gmx-users] on trjconv command   Brett
  • [gmx-users] on trjconv command   Qing Lv
• [gmx-users] Question regarding box size   James Lord
  • [gmx-users] Question regarding box size   Victor Rosas Garcia
  • [gmx-users] Question regarding box size   Justin Lemkul
    • [gmx-users] Question regarding box size   James Lord
• [gmx-users] Simulation with ligand on protein surface   az
  • [gmx-users] Simulation with ligand on protein surface   Justin Lemkul
    • [gmx-users] Simulation with ligand on protein surface   adam zalewski
      • [gmx-users] Simulation with ligand on protein surface   Justin Lemkul
• [gmx-users] gmx 5.0 installation with cuda   Raju
  • [gmx-users] gmx 5.0 installation with cuda   Tru Huynh
• [gmx-users] How to mention torsional parameter in toplogy   Tushar Ranjan Moharana
• [gmx-users] Grompp Error No default Ryckaert-Bell. types   Anurag Dobhal
  • [gmx-users] Grompp Error No default Ryckaert-Bell. types   Justin Lemkul
• [gmx-users] difference between steep and cg   Ming Tang
  • [gmx-users] difference between steep and cg   Tsjerk Wassenaar
    • [gmx-users] difference between steep and cg   Ming Tang
• [gmx-users] Dihedral copying from itp to ff   tarak karmakar
• [gmx-users] Adding missing heavy atoms   prasun kumar
  • [gmx-users] Adding missing heavy atoms   tarak karmakar
  • [gmx-users] Adding missing heavy atoms   Justin Lemkul
    • [gmx-users] Adding missing heavy atoms   prasun kumar
      • [gmx-users] Adding missing heavy atoms   Justin Lemkul
• [gmx-users] RB dihedral type in amber99sb-ildn ffbonded.itp   tarak karmakar
  • [gmx-users] RB dihedral type in amber99sb-ildn ffbonded.itp   Justin Lemkul
• [gmx-users] question   Atila Petrosian
  • [gmx-users] question   Justin Lemkul
    • [gmx-users] question   Alex
• [gmx-users] Reaching the desired pressure and density   Nima Sa
• [gmx-users] on VMD analysis of the gromacs production MD   Brett
  • [gmx-users] on VMD analysis of the gromacs production MD   Justin Lemkul
• [gmx-users] H-bonding autocorrelation function   fyyan at andrew.cmu.edu
  • [gmx-users] H-bonding autocorrelation function   fyyan at andrew.cmu.edu
• [gmx-users] Please answer this!!!   Nima Sa
  • [gmx-users] Please answer this!!! (Reaching the desired pressure and density)   Justin Lemkul
    • [gmx-users] Please answer this!!! (Reaching the desired pressure and density)   Nima Sa
• [gmx-users] Polymer melt clumping   Pallavi Banerjee
  • [gmx-users] Polymer melt clumping   Justin Lemkul
• [gmx-users] Installing gmx 5.0.5 in mpi   Raju
  • [gmx-users] Installing gmx 5.0.5 in mpi   Mark Abraham
• [gmx-users] Error in lipid_protein simulation ( Energy minimization)   shabana yasmeen
  • [gmx-users] Error in lipid_protein simulation ( Energy minimization)   Justin Lemkul
• [gmx-users] How does x2top recognize between alkane C and alkene C   sridhar dwadasi
  • [gmx-users] How does x2top recognize between alkane C and alkene C   Justin Lemkul
• [gmx-users] Grompp checkpoint bug?   Dries Van Rompaey
  • [gmx-users] Grompp checkpoint bug?   Mark Abraham
• [gmx-users] (no subject)   Andrew Bostick
  • [gmx-users] (no subject)   Justin Lemkul
• [gmx-users] Radius of Gyration   Daskalakis Vangelis
  • [gmx-users] Radius of Gyration   Peter Kroon
• [gmx-users] Radius of Gyration   Daskalakis Vangelis
  • [gmx-users] Radius of Gyration   Erik Marklund
    • [gmx-users] Radius of Gyration   Daskalakis Vangelis
• [gmx-users] Regression test for mdrun only installation   Kortzak, Daniel
  • [gmx-users] Regression test for mdrun only installation   Mark Abraham
• [gmx-users] Extending Simnulation - how analyze?   Andrea Spinelli
  • [gmx-users] Extending Simnulation - how analyze?   Mark Abraham
    • [gmx-users] Extending Simnulation - how analyze?   V.V.Chaban
      • [gmx-users] Extending Simnulation - how analyze?   Andrea Spinelli
      • [gmx-users] Extending Simnulation - how analyze?   Mark Abraham
      • [gmx-users] Extending Simnulation - how analyze?   Andrea Spinelli
      • [gmx-users] Extending Simnulation - how analyze?   Mark Abraham
      • [gmx-users] Extending Simnulation - how analyze?   Andrea Spinelli
      • [gmx-users] Extending Simnulation - how analyze?   V.V.Chaban
• [gmx-users] LINCS WARNING   Sun Iba
  • [gmx-users] LINCS WARNING   Justin Lemkul
• [gmx-users] Ions moving to the opposite layer during minimization.   anu chandra
  • [gmx-users] Ions moving to the opposite layer during minimization.   Mark Abraham
• [gmx-users] deformation of DNA duplex   soumadwip ghosh
• [gmx-users] GROMACS wall parameters   shivangi nangia
  • [gmx-users] GROMACS wall parameters   João Henriques
    • [gmx-users] GROMACS wall parameters   João Henriques
    • [gmx-users] GROMACS wall parameters   shivangi nangia
      • [gmx-users] GROMACS wall parameters   João Henriques
      • [gmx-users] GROMACS wall parameters   shivangi nangia
• [gmx-users] Ions moving to the opposite layer during minimization.   anu chandra
• [gmx-users] gmx distance - COM distance issue   Carlos Navarro Retamal
  • [gmx-users] gmx distance - COM distance issue   V.V.Chaban
  • [gmx-users] gmx distance - COM distance issue   Justin Lemkul
    • [gmx-users] gmx distance - COM distance issue   Carlos Navarro Retamal
• [gmx-users] how to center the molecule with trjconv   Zhenyu Meng
  • [gmx-users] how to center the molecule with trjconv   Justin Lemkul
    • [gmx-users] how to center the molecule with trjconv   Zhenyu Meng
• [gmx-users] Expected Performance of a GPU workstation   Jason Loo Siau Ee
  • [gmx-users] Expected Performance of a GPU workstation   Kutzner, Carsten
• [gmx-users] LJ-14 energy   Ming Tang
  • [gmx-users] LJ-14 energy   V.V.Chaban
  • [gmx-users] LJ-14 energy   Justin Lemkul
• [gmx-users] Errors "There were 2 inconsistent shifts. Check your topology" after I moved my peptide with VMD   Vytautas Rakeviius
  • [gmx-users] Errors "There were 2 inconsistent shifts. Check your topology" after I moved my peptide with VMD   V.V.Chaban
• [gmx-users] Expected Performance of a GPU workstation   Jason Loo Siau Ee
• [gmx-users] clarification regarding input format for g_kinetics   Smith, Micholas D.
  • [gmx-users] clarification regarding input format for g_kinetics   David van der Spoel
    • [gmx-users] clarification regarding input format for g_kinetics   Smith, Micholas D.
      • [gmx-users] clarification regarding input format for g_kinetics   David van der Spoel
• [gmx-users] How to treat c=c double bonds in gromos54a7 forcefield   Isser, Ariel Y.
  • [gmx-users] How to treat c=c double bonds in gromos54a7 forcefield   Justin Lemkul
• [gmx-users] Free energy calculations (FEP) and soft core potential 1-1-48   Julian Zachmann
  • [gmx-users] Free energy calculations (FEP) and soft core potential 1-1-48   Michael Shirts
    • [gmx-users] Cross-correlation map of protein residues   Ebert Maximilian
      • [gmx-users] Cross-correlation map of protein residues   bipin singh
      • [gmx-users] Cross-correlation map of protein residues   Ebert Maximilian
  • [gmx-users] Free energy calculations (FEP) and soft core potential 1-1-48   Hannes Loeffler
  • [gmx-users] Free energy calculations (FEP) and soft core potential 1-1-48   Barnett, James W
    • [gmx-users] Free energy calculations (FEP) and soft core potential 1-1-48   Julian Zachmann
      • [gmx-users] Free energy calculations (FEP) and soft core potential 1-1-48   Barnett, James W
• [gmx-users] Drift in Conserved-Energy with Nose-Hoover thermostat   Bernhard
• [gmx-users] Deformation of DNA duplex   soumadwip ghosh
  • [gmx-users] Deformation of DNA duplex   Debayan Chakraborty
• [gmx-users] Position restraining of ions.   anu chandra
  • [gmx-users] Position restraining of ions.   Justin Lemkul
    • [gmx-users] Position restraining of ions.   Gordan Horvat
      • [gmx-users] Position restraining of ions.   anu chandra
      • [gmx-users] Position restraining of ions.   Gordan Horvat
      • [gmx-users] Position restraining of ions.   Justin Lemkul
      • [gmx-users] Position restraining of ions.   Gordan Horvat
      • [gmx-users] Position restraining of ions.   anu chandra
      • [gmx-users] Position restraining of ions.   Justin Lemkul
• [gmx-users] position restraining of ions   soumadwip ghosh
• [gmx-users] Building a Larger Liquid Phase - Truncate 'Vacuum'   John Degenstein
• [gmx-users] [gm.-users] LJ-14 energy   Ming Tang
• [gmx-users] LJ-14 energy   Ming Tang
  • [gmx-users] LJ-14 energy   Justin Lemkul
    • [gmx-users] LJ-14 energy   Ming Tang
      • [gmx-users] LJ-14 energy   Justin Lemkul
      • [gmx-users] LJ-14 energy   Ming Tang
      • [gmx-users] LJ-14 energy   Mark Abraham
      • [gmx-users] LJ-14 energy   Ming Tang
      • [gmx-users] LJ-14 energy   Mark Abraham
• [gmx-users] How does x2top recognize between alkane C and alkene C   sridhar dwadasi
  • [gmx-users] How does x2top recognize between alkane C and alkene C   Justin Lemkul
• [gmx-users] Histogram result in free energy calculation   minky son
  • [gmx-users] Histogram result in free energy calculation   Justin Lemkul
  • [gmx-users] Histogram result in free energy calculation   minky son
    • [gmx-users] Histogram result in free energy calculation   Justin Lemkul
• [gmx-users] Analysis of the RMSF of a ligand bound protein structure   PAULAMI CHATTERJEE
• [gmx-users] Problem running equilibration step   Priyanka Patel
  • [gmx-users] Problem running equilibration step   Felipe Merino
    • [gmx-users] Problem running equilibration step   Priyanka Patel
      • [gmx-users] Problem running equilibration step   Justin Lemkul
      • [gmx-users] Problem running equilibration step   Priyanka Patel
• [gmx-users] gmx hydorder   Jessica Leuchter
• [gmx-users] g_covar Segmentation fault problem   gozde ergin
  • [gmx-users] g_covar Segmentation fault problem   Justin Lemkul
    • [gmx-users] g_covar Segmentation fault problem   gozde ergin
      • [gmx-users] g_covar Segmentation fault problem   Justin Lemkul
      • [gmx-users] g_covar Segmentation fault problem   gozde ergin
      • [gmx-users] g_covar Segmentation fault problem   Justin Lemkul
• [gmx-users] solvation free energy   Daniele Veclani
  • [gmx-users] solvation free energy   Hannes Loeffler
    • [gmx-users] solvation free energy   Daniele Veclani
      • [gmx-users] solvation free energy   hannes.loeffler at stfc.ac.uk
      • [gmx-users] solvation free energy   Daniele Veclani
      • [gmx-users] solvation free energy   Hannes Loeffler
      • [gmx-users] solvation free energy   Justin Lemkul
      • [gmx-users] solvation free energy   Daniele Veclani
      • [gmx-users] solvation free energy   Justin Lemkul
      • [gmx-users] solvation free energy   Daniele Veclani
      • [gmx-users] solvation free energy   Justin Lemkul
      • [gmx-users] solvation free energy   David van der Spoel
      • [gmx-users] solvation free energy   Justin Lemkul
      • [gmx-users] solvation free energy   Justin Lemkul
      • [gmx-users] solvation free energy   Daniele Veclani
• [gmx-users] Intel MKL taken in preference of the specified FFT library   Reuti
  • [gmx-users] Intel MKL taken in preference of the specified FFT library   Mark Abraham
    • [gmx-users] Intel MKL taken in preference of the specified FFT library   Reuti
      • [gmx-users] Intel MKL taken in preference of the specified FFT library   Mark Abraham
• [gmx-users] How does x2top recognize between alkane C and alkene C   sridhar dwadasi
  • [gmx-users] How does x2top recognize between alkane C and alkene C   Justin Lemkul
• [gmx-users] there are particles with all coordinates zero   Carlos Navarro Retamal
  • [gmx-users] there are particles with all coordinates zero   Justin Lemkul
• [gmx-users] problem in parametrization of NH2 group   Nidhi Batra
  • [gmx-users] problem in parametrization of NH2 group   Justin Lemkul
• [gmx-users] Free Energy Calculations   Live King
  • [gmx-users] Free Energy Calculations   Justin Lemkul
• [gmx-users] CG: Tabulated potentials and temperature scaling   Anna Akinshina
  • [gmx-users] CG: Tabulated potentials and temperature scaling   V.V.Chaban
• [gmx-users] Umbrella sampling - decomposing of free energy   gozde ergin
  • [gmx-users] Umbrella sampling - decomposing of free energy   David van der Spoel
    • [gmx-users] Umbrella sampling - decomposing of free energy   gozde ergin
      • [gmx-users] Umbrella sampling - decomposing of free energy   David van der Spoel
      • [gmx-users] Umbrella sampling - decomposing of free energy   gozde ergin
• [gmx-users] CG: Tabulated potentials and temperature scaling   Anna Akinshina
  • [gmx-users] CG: Tabulated potentials and temperature scaling   Mark Abraham
• [gmx-users] md-vv and md   gozde ergin
  • [gmx-users] md-vv and md   Michael Shirts
    • [gmx-users] md-vv and md   gozde ergin
• [gmx-users] GROMACS 5.0.5 GPU version on K620   Krzysztof Kuczera
  • [gmx-users] GROMACS 5.0.5 GPU version on K620   Szilárd Páll
    • [gmx-users] GROMACS 5.0.5 GPU version on K620   Krzysztof Kuczera
      • [gmx-users] GROMACS 5.0.5 GPU version on K620   Szilárd Páll
• [gmx-users] Cross-correlation Dihedral Angle   atanu das
• [gmx-users] How to extract energies from the Gromacs trajectory file   Rabindra Oliya
  • [gmx-users] How to extract energies from the Gromacs trajectory file   Mark Abraham
• [gmx-users] Location of Bubbles.   sujithkakkat .
  • [gmx-users] Location of Bubbles.   Jan Jirsák
    • [gmx-users] Location of Bubbles.   Mark Abraham
      • [gmx-users] Location of Bubbles.   sujithkakkat .
• [gmx-users] RDF   soumadwip ghosh
  • [gmx-users] RDF   André Farias de Moura
  • [gmx-users] RDF   V.V.Chaban
• [gmx-users] (no subject)   Hassan Aaryapour
• [gmx-users] PMF using umbrella sampling and Gromacs 5.0   Eudes Fileti
  • [gmx-users] PMF using umbrella sampling and Gromacs 5.0   Christopher Neale
• [gmx-users] g_hbond : normalization autocorrelation function.   Nilesh Dhumal
  • [gmx-users] g_hbond : normalization autocorrelation function.   Erik Marklund
    • [gmx-users] g_hbond : normalization autocorrelation function.   Nilesh Dhumal
      • [gmx-users] g_hbond : normalization autocorrelation function.   Justin Lemkul
• [gmx-users] A question about simulation system includes more than 100000 atoms using Gromacs   张竹青
  • [gmx-users] A question about simulation system includes more than 100000 atoms using Gromacs   Ming Tang
  • [gmx-users] A question about simulation system includes more than 100000 atoms using Gromacs   Jan Jirsák
    • [gmx-users] A question about simulation system includes more than 100000 atoms using Gromacs   张竹青
• [gmx-users] How to calculate magnesium (MG) parameters for gbsa.itp   Hassan Aaryapour
• [gmx-users] Questions about GROMACS capabilities   Eric Smoll
  • [gmx-users] Questions about GROMACS capabilities   Justin Lemkul
• [gmx-users] segmentation fault   Sikandar Mashayak
  • [gmx-users] segmentation fault   Justin Lemkul
• [gmx-users] MD exit condition   Eric Smoll
  • [gmx-users] MD exit condition   Justin Lemkul
• [gmx-users] segmentation fault   mah maz
• [gmx-users] g_msd and Diffusion Constant   Ganesh Shahane
  • [gmx-users] g_msd and Diffusion Constant   V.V.Chaban
    • [gmx-users] g_msd and Diffusion Constant   Chandan Choudhury
      • [gmx-users] g_msd and Diffusion Constant   Ganesh Shahane
      • [gmx-users] g_msd and Diffusion Constant   Chandan Choudhury
      • [gmx-users] g_msd and Diffusion Constant   Ganesh Shahane
      • [gmx-users] g_msd and Diffusion Constant   V.V.Chaban
      • [gmx-users] g_msd and Diffusion Constant   Ganesh Shahane
      • [gmx-users] g_msd and Diffusion Constant   V.V.Chaban
• [gmx-users] Gromacs 5.0.5 compilation error   Yasser Almeida Hernández
• [gmx-users] GMXPBSA   Urszula Uciechowska
  • [gmx-users] GMXPBSA   Andrea Spitaleri
• [gmx-users] Enforced rotation errors   Nash, Anthony
  • [gmx-users] Enforced rotation errors   Kutzner, Carsten
    • [gmx-users] Enforced rotation errors   Nash, Anthony
      • [gmx-users] Enforced rotation errors   Nash, Anthony
      • [gmx-users] Enforced rotation errors   Kutzner, Carsten
• [gmx-users] Umbrella sampling - abnormal potential energy profile and wrong PMF profile   gozde ergin
• [gmx-users] angle between two vectors   Natalia Alveal F.
  • [gmx-users] angle between two vectors   Teemu Murtola
    • [gmx-users] angle between two vectors   Natalia Alveal F.
• [gmx-users] End-to-End Vector Relaxation Time   atanu das
• [gmx-users] segmentation fault   mah maz
• [gmx-users] (no subject)   Sana Saeed
• [gmx-users] difference in -heavyh and -deuterate   Sana Saeed
  • [gmx-users] difference in -heavyh and -deuterate   Felipe Merino
    • [gmx-users] difference in -heavyh and -deuterate   Sana Saeed
• [gmx-users] gromacs compilation in cygwin   Ayesha Fatima
  • [gmx-users] gromacs compilation in cygwin   Mark Abraham
• [gmx-users] Create file topology in oplsaa   Daniele Veclani
  • [gmx-users] Create file topology in oplsaa   gozde ergin
    • [gmx-users] Create file topology in oplsaa   Ebert Maximilian
• [gmx-users] Repulsive potential   Hassan Aaryapour
• [gmx-users] Gromacs single sum virial calculation for periodic systems   Julius Schulz
  • [gmx-users] Gromacs single sum virial calculation for periodic systems   David van der Spoel
    • [gmx-users] Gromacs single sum virial calculation for periodic systems   Julius Schulz
      • [gmx-users] Gromacs single sum virial calculation for periodic systems   Julius Schulz
• [gmx-users] Gromos 53a6, .mdp parameters for reaction field   Mohsen Ramezanpour
  • [gmx-users] Gromos 53a6, .mdp parameters for reaction field   V.V.Chaban
    • [gmx-users] Gromos 53a6, .mdp parameters for reaction field   João M. Damas
      • [gmx-users] Gromos 53a6, .mdp parameters for reaction field   Mohsen Ramezanpour
    • [gmx-users] Gromos 53a6, .mdp parameters for reaction field   Mohsen Ramezanpour
      • [gmx-users] Gromos 53a6, .mdp parameters for reaction field   V.V.Chaban
      • [gmx-users] Gromos 53a6, .mdp parameters for reaction field   João M. Damas
      • [gmx-users] Gromos 53a6, .mdp parameters for reaction field   Mohsen Ramezanpour
• [gmx-users] Reverse micelle clustering issue   Tyler Cropley
  • [gmx-users] Reverse micelle clustering issue   V.V.Chaban
• [gmx-users] gromos43a1p issue with ATP   Saman Shahriyari
  • [gmx-users] gromos43a1p issue with ATP   Saman Shahriyari
• [gmx-users] Reverse micelle clustering issue   ABEL Stephane 175950
  • [gmx-users] Reverse micelle clustering issue   Tyler Cropley
• [gmx-users] itp file not found   James Lord
  • [gmx-users] Fwd: itp file not found   James Lord
    • [gmx-users] Fwd: itp file not found   James Lord
  • [gmx-users] itp file not found   James Lord
    • [gmx-users] itp file not found   su
• [gmx-users] Distance issue   Navneet Chaturvedi
  • [gmx-users] Distance issue   V.V.Chaban
• [gmx-users] -ignh correct usage   Sana Saeed
• [gmx-users] gromacs 5 pdb2gmx does not faithfully reproduce the AMBER99sb-ILDN force field   Christopher Neale
  • [gmx-users] gromacs 5 pdb2gmx does not faithfully reproduce the AMBER99sb-ILDN force field   Marcelo Depólo
  • [gmx-users] gromacs 5 pdb2gmx does not faithfully reproduce the AMBER99sb-ILDN force field   Szilárd Páll
• [gmx-users] Distance Issue   V.V.Chaban
• [gmx-users] (no subject)   Mayank Dixit
• [gmx-users] Topology file for serotonin (5-HT)   Ganesh Shahane
  • [gmx-users] Topology file for serotonin (5-HT)   Justin Lemkul
    • [gmx-users] Topology file for serotonin (5-HT)   Ganesh Shahane
      • [gmx-users] Topology file for serotonin (5-HT)   Justin Lemkul
      • [gmx-users] Topology file for serotonin (5-HT)   Hassan Aaryapour
• [gmx-users] box type parameters   Sana Saeed
• [gmx-users] Linking contrib program issue   Michael Cristòfol Clough
  • [gmx-users] Linking contrib program issue   Mark Abraham
    • [gmx-users] Linking contrib program issue   Michael Cristòfol Clough
• [gmx-users] magnetic field - segmentation fault   Maryam Kowsar
  • [gmx-users] magnetic field - segmentation fault   Erik Marklund
• [gmx-users] non-bonded kernels for water   Sikandar Mashayak
  • [gmx-users] non-bonded kernels for water   Mark Abraham
• [gmx-users] multi threads pinning problem   Zhenyu Meng
  • [gmx-users] multi threads pinning problem   terrencesun at gmail.com
    • [gmx-users] multi threads pinning problem   Mark Abraham
      • [gmx-users] multi threads pinning problem   Zhenyu Meng
• [gmx-users] magnetic field - segmentation fault   Man Hoang Viet
  • [gmx-users] magnetic field - segmentation fault   Maryam Kowsar
    • [gmx-users] regarding parallel tempering replica exchange   Kumar Meena, Santosh
    • [gmx-users] magnetic field - segmentation fault   Erik Marklund
      • [gmx-users] magnetic field - segmentation fault   Maryam Kowsar
• [gmx-users] energy group exclusion in gromacs 5.0.2   Steven Neumann
• [gmx-users] Best step to run simulation over GPU?   RJ
  • [gmx-users] Best step to run simulation over GPU?   Kutzner, Carsten
• [gmx-users] Question about biphasic tutorial   James Lord
  • [gmx-users] Question about biphasic tutorial   Justin Lemkul
    • [gmx-users] Question about biphasic tutorial   James Lord
• [gmx-users] Chlorine in PDBs   az
  • [gmx-users] Chlorine in PDBs   Smith, Micholas D.
    • [gmx-users] Chlorine in PDBs   az
• [gmx-users] GTP and GTP topology for OPLS-AA force field   Christian Bope Domilongo
• [gmx-users] Regarding engineered residue topology   Venkat Reddy
  • [gmx-users] Regarding engineered residue topology   Justin Lemkul
    • [gmx-users] Regarding engineered residue topology   Venkat Reddy
      • [gmx-users] Regarding engineered residue topology   Justin Lemkul
      • [gmx-users] Regarding engineered residue topology   Venkat Reddy
      • [gmx-users] Regarding engineered residue topology   Justin Lemkul
      • [gmx-users] Regarding engineered residue topology   Venkat Reddy
      • [gmx-users] Regarding engineered residue topology   Justin Lemkul
• [gmx-users] PMF using umbrella sampling and Gromacs 5.0 (Eudes Fileti)   Eudes Fileti
  • [gmx-users] PMF using umbrella sampling and Gromacs 5.0 (Eudes Fileti)   Christopher Neale
• [gmx-users] error with gen-vel and continuation in nvt   Mahboobe Sadr
  • [gmx-users] error with gen-vel and continuation in nvt   Tamisra Pal
    • [gmx-users] error with gen-vel and continuation in nvt   Mahboobe Sadr
• [gmx-users] adding a new residue to residuetypes.dat   faride badalkhani
  • [gmx-users] adding a new residue to residuetypes.dat   Justin Lemkul
• [gmx-users] Issues using tabulated potentials for coarse-grained simulation   Tamisra Pal
  • [gmx-users] Fwd: Issues using tabulated potentials for coarse-grained simulation   Tamisra Pal
    • [gmx-users] Issues using tabulated potentials for coarse-grained simulation   Brian Yoo
      • [gmx-users] Issues using tabulated potentials for coarse-grained simulation   Tamisra Pal
• [gmx-users] Default cut-off scheme.   Dawid das
  • [gmx-users] Default cut-off scheme.   Tamisra Pal
    • [gmx-users] Default cut-off scheme.   Mark Abraham
      • [gmx-users] Default cut-off scheme.   Dawid das
• [gmx-users] Gromos54a8   melichercik at leaf.nh.cas.cz
• [gmx-users] pdb2gmx error   faride badalkhani
  • [gmx-users] pdb2gmx error   Justin Lemkul
• [gmx-users] pdb2gmx warning   faride badalkhani
  • [gmx-users] pdb2gmx warning   Justin Lemkul
• [gmx-users] GROMACS 5.0.6 released   Mark Abraham
• [gmx-users] -d for all boxtypes   Sana Saeed
  • [gmx-users] -d for all boxtypes   Tsjerk Wassenaar
• [gmx-users] Best step to run simulation over GPU?   라지브간디
  • [gmx-users] Best step to run simulation over GPU?   Kutzner, Carsten
• [gmx-users] performance of e5 2630 CPU with gtx-titan GPU   Netaly Khazanov
• [gmx-users] Gromacs Path   Live King
  • [gmx-users] Gromacs Path   James Lord
• [gmx-users] Best step to run simulation over GPU?   Rajiv
  • [gmx-users] Best step to run simulation over GPU?   Kutzner, Carsten
• [gmx-users] Question about pdb2gmx   Eric Smoll
  • [gmx-users] Question about pdb2gmx   Justin Lemkul
• [gmx-users] (no subject)   hari ram
  • [gmx-users] Incomplete ring   hari ram
    • [gmx-users] Incomplete ring   Justin Lemkul
  • [gmx-users] (no subject)   Sotirios Dionysios I. Papadatos
• [gmx-users] g_rdf problem   Zhenyu Meng
  • [gmx-users] g_rdf problem   André Farias de Moura
    • [gmx-users] g_rdf problem   Zhenyu Meng
      • [gmx-users] g_rdf problem   André Farias de Moura
• [gmx-users] solvation free energy, electrostatic transformation   Daniele Veclani
  • [gmx-users] solvation free energy, electrostatic transformation   Justin Lemkul
    • [gmx-users] solvation free energy, electrostatic transformation   Daniele Veclani
      • [gmx-users] solvation free energy, electrostatic transformation   Justin Lemkul
      • [gmx-users] solvation free energy, electrostatic transformation   Daniele Veclani
      • [gmx-users] solvation free energy, electrostatic transformation   Justin Lemkul
  • [gmx-users] solvation free energy, electrostatic transformation   Hannes Loeffler
    • [gmx-users] solvation free energy, electrostatic transformation   Justin Lemkul
• [gmx-users] magnetic field - segmentation fault   Man Hoang Viet
• [gmx-users] Question about mdrun -rerun   Ian Kotthoff
  • [gmx-users] Question about mdrun -rerun   Justin Lemkul
    • [gmx-users] Question about mdrun -rerun   Ian Kotthoff
      • [gmx-users] Question about mdrun -rerun   Justin Lemkul
      • [gmx-users] Question about mdrun -rerun   Ian Kotthoff
• [gmx-users] Are water molecules restrained "by default"?   Dawid das
  • [gmx-users] Are water molecules restrained "by default"?   Justin Lemkul
    • [gmx-users] Are water molecules restrained "by default"?   Dawid das
      • [gmx-users] Are water molecules restrained "by default"?   Justin Lemkul
      • [gmx-users] Are water molecules restrained "by default"?   Dawid das
      • [gmx-users] Are water molecules restrained "by default"?   Justin Lemkul
      • [gmx-users] Are water molecules restrained "by default"?   Dawid das
• [gmx-users] Exclude non-bonded on GPUs?   Steven Neumann
• [gmx-users] Measuring Bilayer thickness with gmx distance in CGMD simulations   Carlos Navarro Retamal
  • [gmx-users] Measuring Bilayer thickness with gmx distance in CGMD simulations   Justin Lemkul
    • [gmx-users] Measuring Bilayer thickness with gmx distance in CGMD simulations   Carlos Navarro Retamal
      • [gmx-users] Measuring Bilayer thickness with gmx distance in CGMD simulations   Teemu Murtola
      • [gmx-users] Measuring Bilayer thickness with gmx distance in CGMD simulations   Carlos Navarro Retamal
      • [gmx-users] Measuring Bilayer thickness with gmx distance in CGMD simulations   Peter Kroon
• [gmx-users] Problem with Inflategro   fatemeh
• [gmx-users] PMF using umbrella sampling and Gromacs 5.0   Eudes Fileti
  • [gmx-users] PMF using umbrella sampling and Gromacs 5.0   Christopher Neale
• [gmx-users] problem with kalp simulation in DPPC   fatemeh
  • [gmx-users] problem with kalp simulation in DPPC   Justin Lemkul
• [gmx-users] relative constraint deviation after LINCS   Pallavi Banerjee
• [gmx-users] on MD simulation of ATP hydrolysis driven protein conformational change   Brett
  • [gmx-users] on MD simulation of ATP hydrolysis driven protein conformational change   Ana Sofia Fernandes Oliveira
• [gmx-users] PMF using umbrella sampling and Gromacs 5.0   Eudes Fileti
• [gmx-users] performance of e5 2630 CPU with gtx-titan GPU   Netaly Khazanov
  • [gmx-users] performance of e5 2630 CPU with gtx-titan GPU   Kutzner, Carsten
    • [gmx-users] performance of e5 2630 CPU with gtx-titan GPU   Netaly Khazanov
• [gmx-users] Question about redundancy in forcefield files and dihedral parameterization   Eric Smoll
• [gmx-users] Question about forcefield files   Eric Smoll
  • [gmx-users] Question about forcefield files   Michael Shirts
• [gmx-users] Atom type SDMSO not found   su
  • [gmx-users] Atom type SDMSO not found   Sun Iba
    • [gmx-users] Atom type SDMSO not found   Justin Lemkul
  • [gmx-users] Atom type SDMSO not found   Justin Lemkul
• [gmx-users] Question about editconf -noc flag   James Lord
  • [gmx-users] Fwd: Question about editconf -noc flag   James Lord
    • [gmx-users] Fwd: Question about editconf -noc flag   Justin Lemkul
• [gmx-users] request   fatemeh
• [gmx-users] None constraints and l-bfgs.   Dawid das
  • [gmx-users] None constraints and l-bfgs.   Justin Lemkul
    • [gmx-users] None constraints and l-bfgs.   Dawid das
• [gmx-users] Settle vs. 3 normal constraints   Andreas Mecklenfeld
  • [gmx-users] Settle vs. 3 normal constraints   Mark Abraham
• [gmx-users] a few detailed questions about the topology file format   Eric Smoll
  • [gmx-users] a few detailed questions about the topology file format   Mark Abraham
• [gmx-users] Jumping to other side of box   Marzieh Saeedi Masineh
  • [gmx-users] Jumping to other side of box   Mark Abraham
• [gmx-users] Building a Larger Liquid Phase - Truncate 'Vacuum'   Elton Carvalho
  • [gmx-users] Building a Larger Liquid Phase - Truncate 'Vacuum'   Justin Lemkul
    • [gmx-users] Building a Larger Liquid Phase - Truncate 'Vacuum'   Elton Carvalho
• [gmx-users] Alchemical free energy calculations - right choice of lambda points? What else might I do wrong?   Julian Zachmann
  • [gmx-users] Alchemical free energy calculations - right choice of lambda points? What else might I do wrong?   hannes.loeffler at stfc.ac.uk
    • [gmx-users] Alchemical free energy calculations - right choice of lambda points? What else might I do wrong?   asaffarhi at post.tau.ac.il
      • [gmx-users] Alchemical free energy calculations - right choice of lambda points? What else might I do wrong?   hannes.loeffler at stfc.ac.uk
      • [gmx-users] Alchemical free energy calculations - right choice of lambda points? What else might I do wrong?   asaffarhi at post.tau.ac.il
      • [gmx-users] Alchemical free energy calculations - right choice of lambda points? What else might I do wrong?   Julian Zachmann
      • [gmx-users] Alchemical free energy calculations - right choice of lambda points? What else might I do wrong?   asaffarhi at post.tau.ac.il
• [gmx-users] Study of sampling of villin headpiece   Mario Fernández Pendás
  • [gmx-users] Study of sampling of villin headpiece   Mark Abraham
• [gmx-users] MD simulations   hari ram
  • [gmx-users] MD simulations   Nixon Raj
• [gmx-users] MD simulations   soumadwip ghosh
  • [gmx-users] MD simulations   Tsjerk Wassenaar
• [gmx-users] Settle vs. 3 normal constraints   Andreas Mecklenfeld
• [gmx-users] question   Atila Petrosian
• [gmx-users] Jump of drug to other side of lipid bilayer   Marzieh Saeedi Masineh
  • [gmx-users] Jump of drug to other side of lipid bilayer   Mark Abraham
• [gmx-users] submitting gmx cluster   Lábas Anikó
  • [gmx-users] submitting gmx cluster   Kutzner, Carsten
    • [gmx-users] submitting gmx cluster   Smith, Micholas D.
  • [gmx-users] submitting gmx cluster   Peter Stern
    • [gmx-users] submitting gmx cluster   Lábas Anikó
• [gmx-users] DFTB implementation   Zhenyu Meng
  • [gmx-users] Fwd: DFTB implementation   Zhenyu Meng
• [gmx-users] KTH Comput Biophysics   xy21hb
• [gmx-users] Eccentricity of Reverse Micelle   Tyler Cropley
  • [gmx-users] Eccentricity of Reverse Micelle   André Farias de Moura

Last message date: Fri Jul 31 18:27:31 CEST 2015
Archived on: Fri Jul 31 18:27:33 CEST 2015

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