September 2010 Archives by thread

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Starting: Wed Sep 1 00:31:01 CEST 2010
Ending: Thu Sep 30 23:58:00 CEST 2010
Messages: 840

• [gmx-users] g_order question   Paymon Pirzadeh
• [gmx-users] deletion of some water molecules   Dallas Warren
• [gmx-users] Genbox to generate box with isolated molecules...   Justin A. Lemkul
• [gmx-users] gmx 4.5 and openmm on Mac, still not compiling   Szilárd Páll
• [gmx-users] Different impacts in the pressure   Erik Marklund
• [gmx-users] Replica exchange with multiple tables?   Sai Pooja
  • [gmx-users] Replica exchange with multiple tables?   David van der Spoel
• [gmx-users] LJ potential   Sai Pooja
• [gmx-users] Gromacs-4.5 (final) is out!   Rossen Apostolov
  • [gmx-users] Gromacs-4.5 (final) is out!   Da-Wei Li
    • [gmx-users] Gromacs-4.5 (final) is out!   Justin A. Lemkul
• [gmx-users] Newest version of Gromacs 4.5 installation   Moeed
  • [gmx-users] Newest version of Gromacs 4.5 installation   Mark Abraham
• [gmx-users] Re[17]: Flat energy profile in g_wham   alexander yakovenko
• [gmx-users] Re: [gmx-developers] Free Energy Calculation   Justin A. Lemkul
• [gmx-users] Interactions regarding   rekkha nivethitha
  • [gmx-users] Interactions regarding   Mark Abraham
• [gmx-users] Re: [gmx-developers] Free Energy Calculation   Sander Pronk
  • [gmx-users] Gibbs Energy Calculation, Water/Octanol Partioning   Dallas Warren
    • [gmx-users] Gibbs Energy Calculation, Water/Octanol Partioning   Justin A. Lemkul
      • [gmx-users] Gibbs Energy Calculation, Water/Octanol Partioning   Justin A. Lemkul
      • [gmx-users] Gibbs Energy Calculation, Water/Octanol Partioning   Dallas Warren
• [gmx-users] Please test the new Gromacs-4.5!   Rossen Apostolov
  • [gmx-users] Please test the new Gromacs-4.5!   Rossen Apostolov
    • [gmx-users] Please test the new Gromacs-4.5!   Florian Dommert
      • [gmx-users] Please test the new Gromacs-4.5!   Rossen Apostolov
      • [gmx-users] Please test the new Gromacs-4.5!   Florian Dommert
      • [gmx-users] Please test the new Gromacs-4.5!   Rossen Apostolov
      • [gmx-users] Please test the new Gromacs-4.5!   Florian Dommert
      • [gmx-users] Please test the new Gromacs-4.5!   Rossen Apostolov
      • [gmx-users] Please test the new Gromacs-4.5!   Florian Dommert
• [gmx-users] Problem with installing mdrun-gpu in Gromacs-4.5   Christian Mücksch
  • [gmx-users] Problem with installing mdrun-gpu in Gromacs-4.5   Mark Abraham
  • [gmx-users] Problem with installing mdrun-gpu in Gromacs-4.5   Rossen Apostolov
    • [gmx-users] Problem with installing mdrun-gpu in Gromacs-4.5   Carsten Kutzner
      • [gmx-users] Problem with installing mdrun-gpu in Gromacs-4.5   Rossen Apostolov
• [gmx-users] Re: Help regading Gromacs   Justin A. Lemkul
  • [gmx-users] Re: Help regading Gromacs   Krzysztof Kuczera
• [gmx-users] (no subject)   praba vathy
  • [gmx-users] (no subject)   Tsjerk Wassenaar
    • [gmx-users] (no subject)   Justin A. Lemkul
• [gmx-users] incomplete frame   Carla Jamous
  • [gmx-users] incomplete frame   Justin A. Lemkul
    • [gmx-users] incomplete frame   Carla Jamous
      • [gmx-users] incomplete frame   Mark Abraham
      • [gmx-users] incomplete frame   Carla Jamous
      • [gmx-users] incomplete frame   Mark Abraham
• [gmx-users] Need help!!!   praba vathy
  • [gmx-users] Need help!!!   #ZHAO LINA#
    • [gmx-users] Need help!!!   Justin A. Lemkul
      • [gmx-users] Need help!!!   #ZHAO LINA#
      • [gmx-users] Need help!!!   Justin A. Lemkul
  • [gmx-users] Need help!!!   Justin A. Lemkul
• [gmx-users] intermolecular distance restrains   nahren manuel
  • [gmx-users] intermolecular distance restrains   Justin A. Lemkul
    • [gmx-users] intermolecular distance restrains   nahren manuel
      • [gmx-users] intermolecular distance restrains   Justin A. Lemkul
      • [gmx-users] intermolecular distance restrains   nahren manuel
      • [gmx-users] intermolecular distance restrains   Justin A. Lemkul
• [gmx-users] Restart Replica Exchange   Nimesh Jain
  • [gmx-users] Restart Replica Exchange   Mark Abraham
    • [gmx-users] Restart Replica Exchange   Berk Hess
      • [gmx-users] Restart Replica Exchange   jani vinod
• [gmx-users] Force Field => Residues PHE, TRP, TYR, HIS ?   Chih-Ying Lin
  • [gmx-users] Force Field => Residues PHE, TRP, TYR, HIS ?   Tsjerk Wassenaar
• [gmx-users] Problems to generate the Hessian Matrix   Luis Paulo
  • [gmx-users] Problems to generate the Hessian Matrix   Justin A. Lemkul
• [gmx-users] Section 5.3.3 in manuals 3.3, 4.0, 4.5 - Old description of format of atomtyoes   João M. Damas
  • [gmx-users] Section 5.3.3 in manuals 3.3, 4.0, 4.5 - Old description of format of atomtyoes   Justin A. Lemkul
• [gmx-users] Bioinformatics Symposium at C-DAC, Pune   Anirban Ghosh
• [gmx-users] How to analyse the results of MD   rekkha nivethitha
  • [gmx-users] How to analyse the results of MD   Justin A. Lemkul
• [gmx-users] problems with tutor version 4.5.1   Christian Schaffner
  • [gmx-users] problems with tutor version 4.5.1   Justin A. Lemkul
• [gmx-users] Problem after tranferred CHARMM c36 to Gromacs   Jianhui Tian
  • [gmx-users] Problem after tranferred CHARMM c36 to Gromacs   Jianhui Tian
    • [gmx-users] Problem after tranferred CHARMM c36 to Gromacs   Mark Abraham
• [gmx-users] about Rg   Moeed
  • [gmx-users] about Rg   Justin A. Lemkul
• [gmx-users] salt bridge   shiva birgani
  • [gmx-users] salt bridge   Justin A. Lemkul
• [gmx-users] x2top problem of dealing with spc216 water   Yi Gao
  • [gmx-users] x2top problem of dealing with spc216 water   Justin A. Lemkul
    • [gmx-users] x2top problem of dealing with spc216 water   Yi Gao
      • [gmx-users] x2top problem of dealing with spc216 water   Yi Gao
      • [gmx-users] x2top problem of dealing with spc216 water   Justin A. Lemkul
      • [gmx-users] x2top problem of dealing with spc216 water   Yi Gao
      • [gmx-users] x2top problem of dealing with spc216 water   Justin A. Lemkul
      • [gmx-users] PMF   Gavin Melaugh
• [gmx-users] about Rg   Moeed
  • [gmx-users] about Rg   Justin A. Lemkul
• [gmx-users] Re: x2top problem of dealing with spc216 water   Vitaly Chaban
• [gmx-users] g_polystat   Moeed
  • [gmx-users] g_polystat   Justin A. Lemkul
    • [gmx-users] g_polystat   Berk Hess
• [gmx-users] Tables and forcefield parameters   Sai Pooja
  • [gmx-users] Tables and forcefield parameters   Mark Abraham
    • [gmx-users] Tables and forcefield parameters   Sai Pooja
• [gmx-users] Required   Jafar Azamat
  • [gmx-users] Required   Justin A. Lemkul
• [gmx-users] Protein stability using MARTINI   Itamar Kass
  • [gmx-users] Protein stability using MARTINI   Mark Abraham
    • [gmx-users] Protein stability using MARTINI   Itamar Kass
      • [gmx-users] Protein stability using MARTINI   XAvier Periole
      • [gmx-users] Protein stability using MARTINI   Tsjerk Wassenaar
• [gmx-users] Can I put an external force on atoms in a specific region in gromacs?   Hu Zhongqiao
• [gmx-users] the broken of the molecules   kecy_wu at sina.com
  • [gmx-users] the broken of the molecules   Itamar Kass
  • [gmx-users] the broken of the molecules   Mark Abraham
• [gmx-users] grompp_d and mdrun_d issues with GBSA and normal mode analysis   Ehud Schreiber
  • [gmx-users] grompp_d and mdrun_d issues with GBSA and normal mode analysis   Per Larsson
  • [gmx-users] grompp_d and mdrun_d issues with GBSA and normal mode analysis   Per Larsson
    • [gmx-users] grompp_d and mdrun_d issues with GBSA and normal mode analysis   Berk Hess
• [gmx-users] g_covar & g_anaeig problems   Sebastian Breuers
  • [gmx-users] g_covar & g_anaeig problems   Mark Abraham
    • [gmx-users] g_covar & g_anaeig problems   Sebastian Breuers
      • [gmx-users] g_covar & g_anaeig problems   Mark Abraham
• [gmx-users] ffamber03 H0 atomtype in 4.5.1   William Joseph Allen
  • [gmx-users] ffamber03 H0 atomtype in 4.5.1   Per Larsson
• [gmx-users] Problems with CMake and shared libraries   Justin A. Lemkul
  • [gmx-users] Problems with CMake and shared libraries   Szilárd Páll
• [gmx-users] pdb2gmx -chainsep vs -merge   nahren manuel
  • [gmx-users] pdb2gmx -chainsep vs -merge   Justin A. Lemkul
  • [gmx-users] pdb2gmx -chainsep vs -merge   Mark Abraham
    • [gmx-users] pdb2gmx -chainsep vs -merge   Tsjerk Wassenaar
      • [gmx-users] pdb2gmx -chainsep vs -merge   nahren manuel
      • [gmx-users] pdb2gmx -chainsep vs -merge   Tsjerk Wassenaar
      • [gmx-users] pdb2gmx -chainsep vs -merge   nahren manuel
      • [gmx-users] pdb2gmx -chainsep vs -merge   Tsjerk Wassenaar
      • [gmx-users] pdb2gmx -chainsep vs -merge   Mark Abraham
• [gmx-users] about rdf   Moeed
  • [gmx-users] about rdf   Justin A. Lemkul
• [gmx-users] simulation in the high temperature   shiva birgani
  • [gmx-users] simulation in the high temperature   Justin A. Lemkul
• [gmx-users] Generalized Born segfaults with v4.5.1   Silvio a Beccara
  • [gmx-users] Generalized Born segfaults with v4.5.1   Per Larsson
    • [gmx-users] Generalized Born segfaults with v4.5.1   Silvio a Beccara
• [gmx-users] restraining atoms to the plane at the bilayer center: pull code ?   maria goranovic
  • [gmx-users] restraining atoms to the plane at the bilayer center: pull code ?   Justin A. Lemkul
    • [gmx-users] restraining atoms to the plane at the bilayer center: pull code ?   maria goranovic
• [gmx-users] git gromacs   Alan
  • [gmx-users] git gromacs   Carsten Kutzner
    • [gmx-users] git gromacs   Alan
      • [gmx-users] git gromacs   Rossen Apostolov
      • [gmx-users] git gromacs   Alan
• [gmx-users] membrane protein-free energy   Poojari, Chetan
  • [gmx-users] membrane protein-free energy   Justin A. Lemkul
• [gmx-users] Restarts: Truncation of file *.xtc failed   David de Sancho
  • [gmx-users] Restarts: Truncation of file *.xtc failed   Yongchul Chung
    • [gmx-users] Restarts: Truncation of file *.xtc failed   Mark Abraham
• [gmx-users] restraining atoms to the plane at the bilayer center: pull code ?   chris.neale at utoronto.ca
  • [gmx-users] restraining atoms to the plane at the bilayer center: pull code ?   maria goranovic
• [gmx-users] Re: gmx-users Digest, Vol 77, Issue 33   Moeed
  • [gmx-users] about rdf   Justin A. Lemkul
    • [gmx-users] about rdf   Dallas Warren
• [gmx-users] gmx 4.5.1 and opemm not compiling on Mac SL   Alan
• [gmx-users] hessian.mtx----> readable format   Vishal Agarwal
  • [gmx-users] hessian.mtx----> readable format   Justin A. Lemkul
    • [gmx-users] hessian.mtx----> readable format   Vishal Agarwal
• [gmx-users] gromacs (4.5) installation   Moeed
  • [gmx-users] gromacs (4.5) installation   Justin A. Lemkul
• [gmx-users] Re: Restarts: Truncation of file *.xtc failed   David de Sancho
  • [gmx-users] Re: Restarts: Truncation of file *.xtc failed   Mark Abraham
• [gmx-users] GFP Simulation   Rama G
  • [gmx-users] GFP Simulation   Veera Krasnenko
• [gmx-users] Alanine dipeptide simulations   Sai Pooja
  • [gmx-users] Alanine dipeptide simulations   Dallas Warren
• [gmx-users] reg compilation problem in Mopac gromacs   vidhya sankar
  • [gmx-users] reg compilation problem in Mopac gromacs   Mark Abraham
• [gmx-users] Alanine dipeptide simulations   Dallas Warren
  • [gmx-users] Alanine dipeptide simulations   Sai Pooja
    • [gmx-users] Alanine dipeptide simulations   Dallas Warren
      • [gmx-users] Alanine dipeptide simulations   Sai Pooja
      • [gmx-users] Alanine dipeptide simulations   Justin A. Lemkul
• [gmx-users] Re: eg compilation problem in Mopac gromacs (vidhya sankar)   Gerrit Groenhof
• [gmx-users] Problem about thread based MPI in Gromacs-4.5.1   xuji
  • [gmx-users] Problem about thread based MPI in Gromacs-4.5.1   Szilárd Páll
• [gmx-users] energygrps   Poojari, Chetan
  • [gmx-users] energygrps   Justin A. Lemkul
• [gmx-users] restraining atoms to the plane at the bilayer center: pull code ?   chris.neale at utoronto.ca
  • [gmx-users] restraining atoms to the plane at the bilayer center: pull code ?   maria goranovic
• [gmx-users] How to select atoms dynamically   zhongjin
  • [gmx-users] How to select atoms dynamically   Justin A. Lemkul
  • [gmx-users] How to select atoms dynamically   Elton Carvalho
• [gmx-users] dihedrals potential as a expansion of cosine funtions   Javier Cerezo
  • [gmx-users] dihedrals potential as a expansion of cosine funtions   Mark Abraham
• [gmx-users] g_rdf between bonded and nonbonded groups   Emily Curtis
  • [gmx-users] g_rdf between bonded and nonbonded groups   Justin A. Lemkul
• [gmx-users] g_rdf between bonded and nonbonded groups   Emily Curtis
• [gmx-users] g_rdf between bonded and nonbonded groups   Justin A. Lemkul
• [gmx-users] Overflow problem with test-particle insertion   Kevin Daly
  • [gmx-users] Overflow problem with test-particle insertion   Berk Hess
    • [gmx-users] Overflow problem with test-particle insertion   Berk Hess
      • [gmx-users] Overflow problem with test-particle insertion   Javier Cerezo
      • [gmx-users] Overflow problem with test-particle insertion   Berk Hess
      • [gmx-users] Overflow problem with test-particle insertion   Berk Hess
• [gmx-users] Re: multiplication of lambda constant with LJ potential affecting only solvent.   Navjeet Ahalawat
  • [gmx-users] Re: multiplication of lambda constant with LJ potential affecting only solvent.   Mark Abraham
• [gmx-users] How to select atoms dynamically   zhongjin
• [gmx-users] About implicit water simulations   Christian Mücksch
  • [gmx-users] About implicit water simulations   Per Larsson
• [gmx-users] selected forces   Ali Hassanali
  • [gmx-users] selected forces   Mark Abraham
• [gmx-users] pdb2gmx gmx 4.5: issues with atom name in last column   Alan
  • [gmx-users] pdb2gmx gmx 4.5: issues with atom name in last column   David van der Spoel
• [gmx-users] Re: reg Mopac gromacs compilation problem   Vitaly Chaban
• [gmx-users] mdyn/A to kJ/mol rad2   Nilesh Dhumal
  • [gmx-users] mdyn/A to kJ/mol rad2   Mark Abraham
• [gmx-users] res_com in g_rdf   Emily Curtis
• [gmx-users] Amber force fields giving LINCS errors   TJ Mustard
  • [gmx-users] Amber force fields giving LINCS errors   Justin A. Lemkul
    • [gmx-users] Amber force fields giving LINCS errors   TJ Mustard
      • [gmx-users] Amber force fields giving LINCS errors   TJ Mustard
• [gmx-users] tip5p.itp in Charmm   Yao Yao
  • [gmx-users] tip5p.itp in Charmm   Mark Abraham
• [gmx-users] Amber force fields giving LINCS errors   Justin A. Lemkul
  • [gmx-users] Amber force fields giving LINCS errors   TJ Mustard
• [gmx-users] Overflow problem with test-particle insertion   Kevin Daly
• [gmx-users] tip5p.itp in Charmm   Mark Abraham
• [gmx-users] Overflow problem with test-particle insertion   Kevin Daly
• [gmx-users] Overflow problem with test-particle insertion   Kevin Daly
  • [gmx-users] Overflow problem with test-particle insertion   Berk Hess
• [gmx-users] parallel run problem for nwall   Yi Gao
  • [gmx-users] parallel run problem for nwall   Mark Abraham
    • [gmx-users] parallel run problem for nwall   Yi Gao
• [gmx-users] strange jumping in the frames   Fahimeh Baftizadeh Baghal
  • [gmx-users] strange jumping in the frames   Mark Abraham
• [gmx-users] question about the format of [atomtypes] in ffnonbond.itp   Baofu Qiao
  • [gmx-users] question about the format of [atomtypes] in ffnonbond.itp   Mark Abraham
• [gmx-users] Protein out of the box (not PBC problem)   Carla Jamous
  • [gmx-users] Protein out of the box (not PBC problem)   Mark Abraham
• [gmx-users] g_wham: "Pull geometry direction_periodic not supported"   Eudes Fileti
  • [gmx-users] g_wham: "Pull geometry direction_periodic not supported"   Justin A. Lemkul
  • [gmx-users] g_wham: "Pull geometry direction_periodic not supported"   Jochen Hub
• [gmx-users] Checkpoint files not being written   Justin A. Lemkul
  • [gmx-users] Checkpoint files not being written   Berk Hess
    • [gmx-users] Checkpoint files not being written   Berk Hess
      • [gmx-users] Checkpoint files not being written   Justin A. Lemkul
  • [gmx-users] Checkpoint files not being written   Thomas Piggot
• [gmx-users] g_hbond solvent insertion problem   cesteban at unsl.edu.ar
  • [gmx-users] g_hbond solvent insertion problem   Justin A. Lemkul
    • [gmx-users] g_hbond solvent insertion problem   Erik Marklund
• [gmx-users] PDB will not minimize?   TJ Mustard
  • [gmx-users] PDB will not minimize?   Justin A. Lemkul
• [gmx-users] please help, cannot compile gmx 4.5 openmm   Alan
  • [gmx-users] please help, cannot compile gmx 4.5 openmm   Szilárd Páll
  • [gmx-users] please help, cannot compile gmx 4.5 openmm   Rossen Apostolov
    • [gmx-users] please help, cannot compile gmx 4.5 openmm   Rossen Apostolov
      • [gmx-users] please help, cannot compile gmx 4.5 openmm   Alan
• [gmx-users] OWT5 not found in Charmmff   Yao Yao
  • [gmx-users] OWT5 not found in Charmmff   Mark Abraham
• [gmx-users] PDB will not minimize?   TJ Mustard
• [gmx-users] Can gromacs developers write code to put an external force on atoms in a specified region in later versions?   Hu Zhongqiao
• [gmx-users] About parallel installation of GMX-4.5.1   wuxiao
  • [gmx-users] About parallel installation of GMX-4.5.1   Da-Wei Li
    • [gmx-users] About parallel installation of GMX-4.5.1   Berk Hess
• [gmx-users] Problem Installing 4.5.1   Stephen P. Molnar
  • [gmx-users] Problem Installing 4.5.1   David van der Spoel
• [gmx-users] charmm to gromacs nonbonded parameters after conversion   ABEL Stephane 175950
  • [gmx-users] charmm to gromacs nonbonded parameters after conversion   Mark Abraham
• [gmx-users] Visualization problem of bromo atom connected to an aromatic ring due to gromacs or VMD?   Meyer-Almes, Franz-Josef, Prof. Dr.
  • [gmx-users] Visualization problem of bromo atom connected to an aromatic ring due to gromacs or VMD?   Justin A. Lemkul
• [gmx-users] Polyglycine PDB file.   C Johnson
  • [gmx-users] Polyglycine PDB file.   David van der Spoel
• [gmx-users] PBS script   manoj singh
  • [gmx-users] PBS script   Justin A. Lemkul
    • [gmx-users] PBS script   manoj singh
      • [gmx-users] PBS script   Justin A. Lemkul
      • [gmx-users] PBS script   manoj singh
      • [gmx-users] PBS script   KS Rotondi
      • [gmx-users] PBS script   KS Rotondi
      • [gmx-users] PBS script   manoj singh
      • [gmx-users] PBS script   Mark Abraham
      • [gmx-users] PBS script   manoj singh
• [gmx-users] Re: Polyglycine PDB file.   C Johnson
  • [gmx-users] Re: Polyglycine PDB file.   Justin A. Lemkul
  • [gmx-users] Re: Polyglycine PDB file.   David van der Spoel
• [gmx-users] PBS script   chris.neale at utoronto.ca
  • [gmx-users] PBS script   manoj singh
    • [gmx-users] PBS script   Justin A. Lemkul
      • [gmx-users] PBS script   manoj singh
• [gmx-users] Re: Re: Polyglycine PDB file.   C Johnson
• [gmx-users] problem with .edr file   Anna Marabotti
  • [gmx-users] problem with .edr file   Berk Hess
• [gmx-users] RE : gmx-users Digest, Vol 77, Issue 71   ABEL Stephane 175950
  • Re: [gmx-users] RE : gmx-users Digest, Vol 77, Issue 71   Mark Abraham
• [gmx-users] Re: Reg: Gromacs binary liquid-liquid simulation   Justin A. Lemkul
• [gmx-users] Reg: Gromacs binary liquid-liquid simulation   vinothkumar mohanakrishnan
  • [gmx-users] Reg: Gromacs binary liquid-liquid simulation   Florian Dommert
  • [gmx-users] Re: Reg: Gromacs binary liquid-liquid simulation   Justin A. Lemkul
    • [gmx-users] Re: Reg: Gromacs binary liquid-liquid simulation   vinothkumar mohanakrishnan
      • [gmx-users] Re: Reg: Gromacs binary liquid-liquid simulation   Justin A. Lemkul
• [gmx-users] Coorection for the PBC!   teklebrh at ualberta.ca
  • [gmx-users] Coorection for the PBC!   Justin A. Lemkul
    • [gmx-users] Correction for the PBC!   teklebrh at ualberta.ca
      • [gmx-users] Correction for the PBC!   Justin A. Lemkul
      • [gmx-users] Correction for the PBC!   teklebrh at ualberta.ca
      • [gmx-users] Correction for the PBC!   Justin A. Lemkul
      • [gmx-users] Correction for the PBC!   teklebrh at ualberta.ca
      • [gmx-users] Correction for the PBC!   Justin A. Lemkul
      • [gmx-users] RDF converge to zero than 1, why?   teklebrh at ualberta.ca
      • [gmx-users] RDF converge to zero than 1, why?   David van der Spoel
      • [gmx-users] RDF converge to zero than 1, why?   teklebrh at ualberta.ca
      • [gmx-users] RDF converge to zero than 1, why?   David van der Spoel
      • [gmx-users] RDF converge to zero than 1, why?   Dallas Warren
• [gmx-users] implicit solvent and counter ions   Schor, Marieke
• [gmx-users] Gibbs Energy Calculation, Water/Octanol Partioning   Dallas Warren
• [gmx-users] FEP top file setup...   TJ Mustard
  • [gmx-users] FEP top file setup...   Mark Abraham
    • [gmx-users] FEP top file setup...   TJ Mustard
• [gmx-users] atom type parameters   Ramachandran G
  • [gmx-users] atom type parameters   Mark Abraham
• [gmx-users] how to let the grompp finding library from working directory first.   #ZHAO LINA#
  • [gmx-users] how to let the grompp finding library from workingdirectory first.   Dallas Warren
    • [gmx-users] how to let the grompp finding library from workingdirectory first.   #ZHAO LINA#
      • [gmx-users] how to let the grompp finding library fromworkingdirectory first.   Dallas Warren
      • [gmx-users] how to let the grompp finding library fromworkingdirectory first.   #ZHAO LINA#
      • [gmx-users] how to let the grompp finding libraryfromworkingdirectory first.   Dallas Warren
• [gmx-users] R: problem with .edr file   Anna Marabotti
• [gmx-users] Regular vs. CHARMM TIP3P water model   Nicolas SAPAY
  • [gmx-users] Regular vs. CHARMM TIP3P water model   David van der Spoel
    • [gmx-users] Regular vs. CHARMM TIP3P water model   Berk Hess
      • [gmx-users] Regular vs. CHARMM TIP3P water model   Berk Hess
      • [gmx-users] Regular vs. CHARMM TIP3P water model   Berk Hess
      • [gmx-users] Regular vs. CHARMM TIP3P water model   Nicolas SAPAY
      • [gmx-users] Regular vs. CHARMM TIP3P water model   Nicolas SAPAY
      • [gmx-users] Regular vs. CHARMM TIP3P water model   Berk Hess
      • [gmx-users] Regular vs. CHARMM TIP3P water model   Nicolas SAPAY
      • [gmx-users] Regular vs. CHARMM TIP3P water model   David van der Spoel
      • [gmx-users] Regular vs. CHARMM TIP3P water model   Nicolas SAPAY
      • [gmx-users] Regular vs. CHARMM TIP3P water model   Berk Hess
      • [gmx-users] Regular vs. CHARMM TIP3P water model   Berk Hess
• [gmx-users] SWM4-NDP water model in GROMACS   Mikhail Stukan
• [gmx-users] g_helix problem   Laercio Pol Fachin
• [gmx-users] xpm2ps failure - memory allocation   Justin A. Lemkul
  • [gmx-users] xpm2ps failure - memory allocation   David van der Spoel
    • [gmx-users] xpm2ps failure - memory allocation   Justin A. Lemkul
  • [gmx-users] xpm2ps failure - memory allocation   Berk Hess
• [gmx-users] an example to test mdrun-gpu x mdrun   Alan
  • [gmx-users] an example to test mdrun-gpu x mdrun   Rossen Apostolov
• [gmx-users] compilation problem: gromacs 4.5 double precision   David Parcej
  • [gmx-users] compilation problem: gromacs 4.5 double precision   Szilárd Páll
• [gmx-users] Amb2gmx   Charlie Forde
• [gmx-users] Units of k1 in the pulling code   XUEMING TANG
• [gmx-users] Units of k1 in the pulling code   XUEMING TANG
• [gmx-users] NO GSL! Can't find and take away ballistic term in ACF without GSL   Yao Yao
  • [gmx-users] NO GSL! Can't find and take away ballistic term in ACF without GSL   Justin A. Lemkul
• [gmx-users] Fw: NO GSL! Can't find and take away ballistic term in ACF without GSL   Yao Yao
• [gmx-users] Output per-group kinetic energy   Anthony Costa
  • [gmx-users] Output per-group kinetic energy   Justin A. Lemkul
• [gmx-users] Solvent Accessible Surface area (SASA) graph label   eyem noob
  • [gmx-users] Solvent Accessible Surface area (SASA) graph label   Justin A. Lemkul
• [gmx-users] Having Multiple Chains From One pdb File   C Johnson
  • [gmx-users] Having Multiple Chains From One pdb File   Justin A. Lemkul
• [gmx-users] reg grompp error for QM/MM setup   vidhya sankar
• [gmx-users] reg grompp error in QM/MM of mopac gromacs   vidhya sankar
  • [gmx-users] reg grompp error in QM/MM of mopac gromacs   Mark Abraham
  • [gmx-users] reg grompp error in QM/MM of mopac gromacs   David van der Spoel
• [gmx-users] Re: Dear Dr.Van Der Spoel   David van der Spoel
• [gmx-users] g_cluster fatal error   Louis Lategan Du Preez
• [gmx-users] minimization quagmire   abdullah ahmed
  • [gmx-users] minimization quagmire   Mark Abraham
• [gmx-users] Output per-group kinetic energy   Anthony Costa
  • [gmx-users] Output per-group kinetic energy   Justin A. Lemkul
    • [gmx-users] Output per-group kinetic energy   Anthony Costa
• [gmx-users] Has anyone seen this error befor?   TJ Mustard
  • [gmx-users] Has anyone seen this error befor?   Berk Hess
  • [gmx-users] Has anyone seen this error befor?   Justin A. Lemkul
    • [gmx-users] Has anyone seen this error befor?   TJ Mustard
• [gmx-users] revive gmx-announce   Inon Sharony
  • [gmx-users] revive gmx-announce   Rossen Apostolov
• [gmx-users] Wrtiing pair interaction energy on the fly   sapna sarupria
  • [gmx-users] Wrtiing pair interaction energy on the fly   Mark Abraham
    • [gmx-users] Wrtiing pair interaction energy on the fly   sapna sarupria
• [gmx-users] Convert LJ 9-6 to LJ 12-6?   Jennifer Williams
  • [gmx-users] Convert LJ 9-6 to LJ 12-6?   David van der Spoel
• [gmx-users] Tabulated potentials and normal nonbonded interaction at the same time   Thomas Schlesier
  • [gmx-users] Tabulated potentials and normal nonbonded interaction at the same time   Gareth Tribello
    • [gmx-users] Tabulated potentials and normal nonbonded interaction at the same time   Mark Abraham
• [gmx-users] pressure coupling not enough values (I need 2)   afsaneh maleki
  • [gmx-users] pressure coupling not enough values (I need 2)   Justin A. Lemkul
• [gmx-users] Multiple Chains   C Johnson
  • [gmx-users] Multiple Chains   Justin A. Lemkul
• [gmx-users] Re Multiple Chains   C Johnson
  • [gmx-users] Re Multiple Chains   Justin A. Lemkul
• [gmx-users] Re Multiple Chain   C Johnson
  • [gmx-users] Re Multiple Chain   Justin A. Lemkul
  • [gmx-users] Re Multiple Chain   Mark Abraham
• [gmx-users] Re Multiple Chains   C Johnson
  • [gmx-users] Re Multiple Chains   Justin A. Lemkul
• [gmx-users] Re Multiple Chains   C Johnson
  • [gmx-users] Re Multiple Chains   Dallas Warren
  • [gmx-users] Re Multiple Chains   Justin A. Lemkul
• [gmx-users] 4.5 Installation failure   Yao Yao
  • [gmx-users] 4.5 Installation failure   Justin A. Lemkul
• [gmx-users] Re Multiple Chains   C Johnson
• [gmx-users] Re Multiple Chains   C Johnson
  • [gmx-users] Re Multiple Chains   Justin A. Lemkul
  • [gmx-users] Re Multiple Chains   Dallas Warren
• [gmx-users] Re Multiple Chains   C Johnson
  • [gmx-users] Re Multiple Chains   Justin A. Lemkul
• [gmx-users] Re Multiple Chains   C Johnson
  • [gmx-users] Re Multiple Chains   Justin A. Lemkul
  • [gmx-users] Re Multiple Chains   Dallas Warren
• [gmx-users] Re Multiple Chain   Mark Abraham
• [gmx-users] Re Multiple Chains   C Johnson
  • [gmx-users] Re Multiple Chains   Justin A. Lemkul
  • [gmx-users] Re Multiple Chains   Dallas Warren
• [gmx-users] Re Multiple Chains   C Johnson
• [gmx-users] Re Multiple Chains   C Johnson
  • [gmx-users] Re Multiple Chains   Elton Carvalho
  • [gmx-users] Re Multiple Chains   Justin A. Lemkul
• [gmx-users] top directory can be split or not?   #ZHAO LINA#
  • [gmx-users] top directory can be split or not?   Mark Abraham
• [gmx-users] Re: Tabulated potentials and normal nonbonded interaction at the same time   Thomas Schlesier
  • [gmx-users] Re: Tabulated potentials and normal nonbonded interaction at the same time   Mark Abraham
• [gmx-users] rerun warning   Poojari, Chetan
  • [gmx-users] rerun warning   Mark Abraham
    • [gmx-users] rerun warning   Poojari, Chetan
      • [gmx-users] rerun warning   Justin A. Lemkul
      • [gmx-users] rerun warning   Poojari, Chetan
      • [gmx-users] rerun warning   Justin A. Lemkul
      • [gmx-users] rerun warning   Mark Abraham
• [gmx-users] #ifndef FLEXIBLE or #ifdef FLEXIBLE   zhongjin
  • [gmx-users] #ifndef FLEXIBLE or #ifdef FLEXIBLE   Mark Abraham
• [gmx-users] Re: Tabulated potentials and normal nonbonded interaction at the same time   Thomas Schlesier
• [gmx-users] WHAM   Anirban Ghosh
  • [gmx-users] WHAM   Justin A. Lemkul
    • [gmx-users] WHAM   Anirban Ghosh
      • [gmx-users] WHAM   Justin A. Lemkul
      • [gmx-users] WHAM   ms
      • [gmx-users] WHAM   Justin A. Lemkul
      • [gmx-users] WHAM   ms
• [gmx-users] trjconv -pbc   Carla Jamous
  • [gmx-users] trjconv -pbc   Justin A. Lemkul
• [gmx-users] Fwd: Residue 'MOL' not found in residue topology database   Tsjerk Wassenaar
  • [gmx-users] Residue 'MOL' not found in residue topology database   Dallas Warren
• [gmx-users] problem adding H atoms   Stacey Meadley
  • [gmx-users] problem adding H atoms   Justin A. Lemkul
• [gmx-users] potential energy in implicit solvent simulations   Ehud Schreiber
  • [gmx-users] potential energy in implicit solvent simulations   Per Larsson
• [gmx-users] settle constraints for spc water model   David Rodríguez
  • [gmx-users] settle constraints for spc water model   Justin A. Lemkul
• [gmx-users] Phd positions   Giovanni Bussi
• [gmx-users] Extending REMD simulation   henri mone
  • [gmx-users] Extending REMD simulation   Mark Abraham
• [gmx-users] about NPT run   zhongjin
  • [gmx-users] about NPT run   Justin A. Lemkul
    • [gmx-users] about NPT run   Berk Hess
• [gmx-users] ARG Charmm gmx 4.5.1   nahren manuel
  • [gmx-users] ARG Charmm gmx 4.5.1   Berk Hess
    • [gmx-users] ARG Charmm gmx 4.5.1   Thomas Piggot
      • [gmx-users] ARG Charmm gmx 4.5.1   Berk Hess
      • [gmx-users] ARG Charmm gmx 4.5.1   Berk Hess
  • [gmx-users] ARG Charmm gmx 4.5.1   Baofu Qiao
    • [gmx-users] ARG Charmm gmx 4.5.1   Berk Hess
• [gmx-users] Nucleotides for charmm port   David Parcej
  • [gmx-users] Nucleotides for charmm port   Thomas Piggot
• [gmx-users] Umbrella sampling question   Aswathy
• [gmx-users] Re:problem adding H atoms   Stacey Meadley
  • [gmx-users] Re:problem adding H atoms   Justin A. Lemkul
• e: [gmx-users] Nucleotides for charmm port   David Parcej
• [gmx-users] g_hbond   Fahimeh Baftizadeh Baghal
  • [gmx-users] g_hbond   Justin A. Lemkul
    • [gmx-users] g_hbond   David van der Spoel
      • [gmx-users] g_hbond   fahimeh baftizadeh
• [gmx-users] g_cluster cutoff   Kukol, Andreas
  • [gmx-users] g_cluster cutoff   Shay Teaching
    • [gmx-users] g_cluster cutoff   Itamar Kass
• [gmx-users] force field to freeze/evaporate   Vitaly Chaban
  • [gmx-users] force field to freeze/evaporate   Berk Hess
• [gmx-users] unit conversions   Ramachandran G
  • [gmx-users] unit conversions   Justin A. Lemkul
    • [gmx-users] unit conversions   Ramachandran G
      • [gmx-users] unit conversions   Justin A. Lemkul
      • [gmx-users] unit conversions   Ramachandran G
      • [gmx-users] unit conversions   Justin A. Lemkul
      • [gmx-users] unit conversions   Ramachandran G
• [gmx-users] ACE patch for CHARMM27   Krzysztof Kuczera
  • [gmx-users] ACE patch for CHARMM27   Justin A. Lemkul
    • [gmx-users] ACE patch for CHARMM27   Krzysztof Kuczera
      • [gmx-users] ACE patch for CHARMM27   Justin A. Lemkul
• [gmx-users] Problem with pressure form g_energy   Mikhail Stukan
  • [gmx-users] Problem with pressure form g_energy   Justin A. Lemkul
• [gmx-users] force field parameters for lipids on lipidbook.bioch.ox.ac.uk   Oliver Beckstein
• [gmx-users] Post doctoral positions available in theoretical physical chemistry&molecular simulation   Vitaly Chaban
• [gmx-users] rerun on gro file   fahimeh baftizadeh
  • [gmx-users] rerun on gro file   Justin A. Lemkul
    • [gmx-users] rerun on gro file   fahimeh baftizadeh
      • [gmx-users] rerun on gro file   Justin A. Lemkul
• [gmx-users] cubic spline and continuous derivatives   Floris Buelens
  • [gmx-users] cubic spline and continuous derivatives   Berk Hess
• [gmx-users] bug in function read_next_vmd_frame   BIN ZHANG
  • [gmx-users] bug in function read_next_vmd_frame   Roland Schulz
• [gmx-users] pulling experiment   Xiaohua Zhang
  • [gmx-users] pulling experiment   Justin A. Lemkul
    • [gmx-users] pulling experiment   Xiaohua Zhang
      • [gmx-users] pulling experiment   Justin A. Lemkul
• [gmx-users] Energy Minimzation with Gromacs leads to distortion of planar groups   NG HUI WEN
  • [gmx-users] Energy Minimzation with Gromacs leads to distortion of planar groups   Justin A. Lemkul
  • [gmx-users] Energy Minimzation with Gromacs leads to distortion of planar groups   Kukol, Andreas
    • [gmx-users] Energy Minimzation with Gromacs leads to distortion of planar groups   Justin A. Lemkul
      • [gmx-users] Energy Minimzation with Gromacs leads to distortionof planar groups   NG HUI WEN
      • [gmx-users] Energy Minimzation with Gromacs leads to distortionof planar groups   Justin A. Lemkul
      • [gmx-users] Energy Minimzation with Gromacs leads to distortionofplanar groups   NG HUI WEN
• [gmx-users] residue IDs are not ordered in gro file.   BIN ZHANG
  • [gmx-users] residue IDs are not ordered in gro file.   Justin A. Lemkul
• [gmx-users] reg error in QM/MM topology   vidhya sankar
• [gmx-users] genbox and martini, ethanol solvent   Pim Frederix
  • [gmx-users] genbox and martini, ethanol solvent   Justin A. Lemkul
• [gmx-users] Umbrella sampling question   chris.neale at utoronto.ca
  • [gmx-users] Umbrella sampling question   Aswathy
• [gmx-users] Is it possible to use the standard functional forms for the potentials and tabulated ones at the same time?   Claudia Herbers
  • [gmx-users] Is it possible to use the standard functional forms for the potentials and tabulated ones at the same time?   Berk Hess
• [gmx-users] error on compilation on BlueGene/P   Fabio Affinito
  • [gmx-users] error on compilation on BlueGene/P   Fabio Affinito
    • [gmx-users] error on compilation on BlueGene/P   Berk Hess
    • [gmx-users] error on compilation on BlueGene/P   Mark Abraham
      • [gmx-users] error on compilation on BlueGene/P   Fabio Affinito
      • [gmx-users] error on compilation on BlueGene/P   Mark Abraham
      • [gmx-users] error on compilation on BlueGene/P   Fabio Affinito
      • [gmx-users] error on compilation on BlueGene/P   Mark Abraham
• [gmx-users] Adding Ions   simon sham
  • [gmx-users] Adding Ions   Justin A. Lemkul
• [gmx-users] Urea-water   nishap.patel at utoronto.ca
  • [gmx-users] Urea-water   David van der Spoel
    • [gmx-users] Urea-water   nishap.patel at utoronto.ca
• [gmx-users] Re: Adding Ions   simon sham
• [gmx-users] Getting some interesting errors.   TJ Mustard
  • [gmx-users] Getting some interesting errors.   Berk Hess
    • [gmx-users] Getting some interesting errors.   TJ Mustard
• [gmx-users] residue IDs are not ordered in gro file.   BIN ZHANG
  • [gmx-users] residue IDs are not ordered in gro file.   Justin A. Lemkul
• [gmx-users] Problem with pdb2gmx and a new residue   Justin A. Lemkul
  • [gmx-users] Problem with pdb2gmx and a new residue   Mark Abraham
    • [gmx-users] Problem with pdb2gmx and a new residue   Justin A. Lemkul
      • [gmx-users] Problem with pdb2gmx and a new residue   Ramachandran G
      • [gmx-users] Problem with pdb2gmx and a new residue   Justin A. Lemkul
      • [gmx-users] Problem with pdb2gmx and a new residue   Justin A. Lemkul
      • [gmx-users] Problem with pdb2gmx and a new residue   Thomas Piggot
      • [gmx-users] Problem with pdb2gmx and a new residue   Justin A. Lemkul
  • [gmx-users] Problem with pdb2gmx and a new residue   Mark Abraham
• [gmx-users] creating a solvent box   Eric Shamay
  • [gmx-users] creating a solvent box   Dallas Warren
  • [gmx-users] creating a solvent box   Justin A. Lemkul
• [gmx-users] MD on docked complex using AMBER FF   vivek sharma
  • [gmx-users] MD on docked complex using AMBER FF   manoj singh
    • [gmx-users] MD on docked complex using AMBER FF   Alan
      • [gmx-users] MD on docked complex using AMBER FF   vivek sharma
      • [gmx-users] MD on docked complex using AMBER FF   Alan
• [gmx-users] QM/MM topology fiels problem   vidhya sankar
• [gmx-users] QM/MM topology fiels problem   Gerrit Groenhof
  • [gmx-users] REg QM/MM Mdrun error   vidhya sankar
• [gmx-users] how to restart the simulation   abdul wadood
  • [gmx-users] how to restart the simulation   Justin A. Lemkul
• [gmx-users] Problems with coupling groups in gas phase simulations   Sascha Rehm
  • [gmx-users] Problems with coupling groups in gas phase simulations   Mark Abraham
• [gmx-users] continue Prod run from NPT eq   nahren manuel
  • [gmx-users] continue Prod run from NPT eq   Justin A. Lemkul
• [gmx-users] umbrella sampling in gromacs   Gard Nelson
• [gmx-users] Tables with forcefield   Sai Pooja
  • [gmx-users] Tables with forcefield   ms
    • [gmx-users] Tables with forcefield   Sai Pooja
      • [gmx-users] Tables with forcefield   ms
      • [gmx-users] Tables with forcefield   Sai Pooja
• [gmx-users] Gromacs for GPUs source code   Erik Lascaris
  • [gmx-users] Gromacs for GPUs source code   Roland Schulz
• [gmx-users] Position Restraints   #ZHAO LINA#
  • [gmx-users] Position Restraints   Justin A. Lemkul
    • [gmx-users] Position Restraints   #ZHAO LINA#
      • [gmx-users] Position Restraints   Justin A. Lemkul
      • [gmx-users] Position Restraints   #ZHAO LINA#
• [gmx-users] Re: efficient use of pme with gromacs   Carsten Kutzner
• [gmx-users] Energy minimisation problems - coordinate file and topology file not matching.   Natalie Stephenson
  • [gmx-users] Energy minimisation problems - coordinate file and topology file not matching.   Terry
    • [gmx-users] Energy minimisation problems - coordinate file and topology file not matching.   Natalie Stephenson
      • [gmx-users] Energy minimisation problems - coordinate file and topology file not matching.   Natalie Stephenson
      • [gmx-users] Energy minimisation problems - coordinate file and topology file not matching.   Justin A. Lemkul
      • [gmx-users] Energy minimisation problems - coordinate file and topology file not matching.   Natalie Stephenson
  • [gmx-users] Energy minimisation problems - coordinate file and topology file not matching.   Justin A. Lemkul
• [gmx-users] Re: gmx-users Digest, Vol 77, Issue 142   Gerrit Groenhof
  • [gmx-users] reg QM/MM mdrun error   vidhya sankar
    • [gmx-users] reg QM/MM mdrun error   Timo M.D. Graen
      • [gmx-users] reg QM/MM mdrun error   vidhya sankar
      • [gmx-users] reg QM/MM mdrun error   Timo M.D. Graen
• [gmx-users] pdb2gmx eats a bond   Thomas Schlesier
  • [gmx-users] pdb2gmx eats a bond   Justin A. Lemkul
• [gmx-users] Issue with Atom Types/Charges/Mass when including ATP in gromos53.a6   aschug at ctbp.ucsd.edu
  • [gmx-users] Issue with Atom Types/Charges/Mass when including ATP in gromos53.a6   Thomas Piggot
• [gmx-users] rotational correlation function   Paymon Pirzadeh
• [gmx-users] Re: pdb2gmx eats a bond   Thomas Schlesier
• [gmx-users] Re: gmx-users Digest, Vol 77, Issue 138   lloyd riggs
  • [gmx-users] atomtype problem (was Re: gmx-users Digest, Vol 77, Issue 138)   Justin A. Lemkul
• [gmx-users] Question about building and testing on imac   Silvia Crivelli
  • [gmx-users] Question about building and testing on imac   Justin A. Lemkul
• [gmx-users] rlist and rlistlong and grompp notes in gmx451   Carlo Camilloni
  • [gmx-users] rlist and rlistlong in gmx451   Carlo Camilloni
    • [gmx-users] rlist and rlistlong in gmx451   Justin A. Lemkul
• [gmx-users] Re: rotational correlation function   Vitaly Chaban
  • [gmx-users] Re: rotational correlation function   Paymon Pirzadeh
    • [gmx-users] Re: rotational correlation function   Vitaly Chaban
    • [gmx-users] Re: rotational correlation function   David van der Spoel
      • [gmx-users] Re: rotational correlation function   Paymon Pirzadeh
      • [gmx-users] Re: rotational correlation function   David van der Spoel
      • [gmx-users] Re: rotational correlation function   Paymon Pirzadeh
      • [gmx-users] Re: rotational correlation function   David van der Spoel
      • [gmx-users] Re: rotational correlation function   Paymon Pirzadeh
      • [gmx-users] Re: rotational correlation function   David van der Spoel
• [gmx-users] Re: rotational correlation function   Vitaly Chaban
• [gmx-users] PMF on dihedral   charlier at cermav.cnrs.fr
• [gmx-users] fftw and configure in 4.0.7 vs 4.5.1   Fabio Affinito
  • [gmx-users] fftw and configure in 4.0.7 vs 4.5.1   Mark Abraham
• [gmx-users] make_ndx: execlude one group from another   Thomas Schlesier
• [gmx-users] ffyw3f library not found..   Kamalesh Roy
  • [gmx-users] ffyw3f library not found..   Justin A. Lemkul
    • [gmx-users] ffyw3f library not found..   Kamalesh Roy
      • [gmx-users] ffyw3f library not found..   Mark Abraham
  • [gmx-users] ffyw3f library not found..   Fabio Affinito
    • [gmx-users] ffyw3f library not found..   Justin A. Lemkul
    • [gmx-users] ffyw3f library not found..   Mark Abraham
      • [gmx-users] ffyw3f library not found..   Fabio Affinito
• [gmx-users] ffyw3f library not found..   Justin A. Lemkul
• [gmx-users] make_ndx: execlude one group from another   Thomas Schlesier
  • [gmx-users] make_ndx: execlude one group from another   Erik Marklund
  • [gmx-users] make_ndx: execlude one group from another   Mark Abraham
• [gmx-users] PMF on dihedral   chris.neale at utoronto.ca
• [gmx-users] Getting started - Peptide   Artur Panczakiewicz
• [gmx-users] Problem with pressure coupling   Ondrej Marsalek
  • [gmx-users] Re: Problem with pressure coupling   Ondrej Marsalek
    • [gmx-users] Re: Problem with pressure coupling   David van der Spoel
      • [gmx-users] Re: Problem with pressure coupling   Ondrej Marsalek
• [gmx-users] Re: Problem with pressure coupling   Ondrej Marsalek
• [gmx-users] Issue with Atom Types/Charges/Mass when   aschug at ctbp.ucsd.edu
• [gmx-users] Getting started - Peptide   Artur Panczakiewicz
  • [gmx-users] Getting started - Peptide   Justin A. Lemkul
  • [gmx-users] Getting started - Peptide   #ZHAO LINA#
  • [gmx-users] Getting started - Peptide   TJ Mustard
    • [gmx-users] Getting started - Peptide   Artur Panczakiewicz
    • [gmx-users] Getting started - Peptide   Artur Panczakiewicz
    • [gmx-users] D-proline   Stefano Pieraccini
      • [gmx-users] D-proline   Anthony Costa
      • [gmx-users] D-proline   Tsjerk Wassenaar
• [gmx-users] GROMACS 4.5.1 and MPI   simon sham
  • [gmx-users] GROMACS 4.5.1 and MPI   Justin A. Lemkul
• [gmx-users] PMF on dihedral   chris.neale at utoronto.ca
• [gmx-users] Reg: Putting molecules on one side of the box   vinothkumar mohanakrishnan
  • [gmx-users] Reg: Putting molecules on one side of the box   Mark Abraham
• [gmx-users] trouble in energy minimization.   Taeho Kim
• [gmx-users] Re: gmx-users Digest, Vol 77, Issue 150   lloyd riggs
  • [gmx-users] atomtype problem (was Re: gmx-users Digest, Vol 77, Issue 150)   Justin A. Lemkul
• [gmx-users] CHARMM -> gromacs epsilon and sigma conversiion factors   ABEL Stephane 175950
• [gmx-users] MPI   simon sham
  • [gmx-users] MPI   Justin A. Lemkul
    • [gmx-users] MPI   Florian Dommert
      • [gmx-users] MPI   Justin A. Lemkul
• [gmx-users] vanadium non-bonded parameters   Gonçalo C. Justino
  • [gmx-users] vanadium non-bonded parameters   Alexandre Suman de Araujo
  • [gmx-users] vanadium non-bonded parameters   Dallas Warren
• [gmx-users] CHARMM -> gromacs epsilon and sigma conversiion   Jianhui Tian
• [gmx-users] data.xvg for g_kinetics ?   feng chen
  • [gmx-users] data.xvg for g_kinetics ?   Justin A. Lemkul
    • [gmx-users] data.xvg for g_kinetics ?   David van der Spoel
• [gmx-users] local pressure   Vitaly Chaban
• [gmx-users] Re: MPI   simon sham
  • [gmx-users] Re: MPI   Justin A. Lemkul
• [gmx-users] CHARMM -> gromacs epsilon and sigma conversiion   ABEL Stephane 175950
• [gmx-users] reg linking mopacs and gromac library   vidhya sankar
  • [gmx-users] reg linking mopacs and gromac library   Justin A. Lemkul
• [gmx-users] A common error Atom O11 in residue bDM 1 was not found in rtp entry   ABEL Stephane 175950
  • [gmx-users] A common error Atom O11 in residue bDM 1 was not found in rtp entry   Justin A. Lemkul
• [gmx-users] A common error Atom O11 in residue bDM 1 was   ABEL Stephane 175950
  • [gmx-users] A common error Atom O11 in residue bDM 1 was   Justin A. Lemkul
• [gmx-users] About COM pulling   zhongjin
  • [gmx-users] About COM pulling   Justin A. Lemkul
• [gmx-users] electrostatics with non-periodic system   Vitaly Chaban
  • [gmx-users] electrostatics with non-periodic system   Berk Hess
• [gmx-users] How to make a lipid bilayer with specific dimensions?   NG HUI WEN
  • [gmx-users] How to make a lipid bilayer with specific dimensions?   Justin A. Lemkul
    • [gmx-users] topology file for two molecules   Gavin Melaugh
      • [gmx-users] topology file for two molecules   Mark Abraham
      • [gmx-users] topology file for two molecules   Gavin Melaugh
      • [gmx-users] topology file for two molecules   Justin A. Lemkul
      • [gmx-users] topology file for two molecules   Gavin Melaugh
      • [gmx-users] topology file for two molecules   Justin A. Lemkul
      • [gmx-users] topology file for two molecules   Gavin Melaugh
      • [gmx-users] topology file for two molecules   Gavin Melaugh
      • [gmx-users] topology file for two molecules   Justin A. Lemkul
      • [gmx-users] topology file for two molecules   Gavin Melaugh
      • [gmx-users] non-bonding parameters   Gavin Melaugh
      • [gmx-users] 1,4 interactions   Gavin Melaugh
      • [gmx-users] 1,4 interactions   Justin A. Lemkul
      • [gmx-users] 1,4 interactions   Gavin Melaugh
      • [gmx-users] 1,4 interactions   Justin A. Lemkul
      • [gmx-users] 1,4 interactions   Gavin Melaugh
      • [gmx-users] 1,4 interactions   Justin A. Lemkul
      • [gmx-users] 1,4 interactions   Gavin Melaugh
      • [gmx-users] 1,4 interactions   Justin A. Lemkul
      • [gmx-users] 1,4 interactions   Gavin Melaugh
      • [gmx-users] 1,4 interactions   Justin A. Lemkul
      • [gmx-users] 1,4 interactions   Gavin Melaugh
      • [gmx-users] 1,4 interactions   Justin A. Lemkul
• [gmx-users] Query regarding protonation and deprotonation of some residues   sonali dhindwal
  • [gmx-users] Query regarding protonation and deprotonation of some residues   Itamar Kass
    • [gmx-users] Query regarding protonation and deprotonation of some residues   sonali dhindwal
      • [gmx-users] Query regarding protonation and deprotonation of some residues   Tsjerk Wassenaar
• [gmx-users] Reg: Adding multiple molecules   vinothkumar mohanakrishnan
  • [gmx-users] Reg: Adding multiple molecules   Justin A. Lemkul
    • [gmx-users] Reg: Adding multiple molecules   vinothkumar mohanakrishnan
      • [gmx-users] Reg: Adding multiple molecules   Justin A. Lemkul
      • [gmx-users] Reg: Adding multiple molecules   vinothkumar mohanakrishnan
• [gmx-users] Re: A common error Atom O11 in residue bDM 1 was   ABEL Stephane 175950
• [gmx-users] Re: Ask for a question   Justin A. Lemkul
• [gmx-users] Pulling Simulation Query   Natalie Stephenson
  • [gmx-users] Pulling Simulation Query   Justin A. Lemkul
• [gmx-users] How to make a lipid bilayer with specific dimensions?   chris.neale at utoronto.ca
  • [gmx-users] How to make a lipid bilayer with specific dimensions?   NG HUI WEN
    • [gmx-users] How to make a lipid bilayer with specific dimensions?   Justin A. Lemkul
      • [gmx-users] How to make a lipid bilayer with specific dimensions?   NG HUI WEN
• [gmx-users] Salt concentration   Anthony Cruz Balberdi
  • [gmx-users] Salt concentration   Gonçalo C. Justino
    • [gmx-users] Salt concentration   Anthony Cruz Balberdi
  • [gmx-users] Salt concentration   Dallas Warren
• [gmx-users] LJ potential   nishap.patel at utoronto.ca
  • [gmx-users] LJ potential   David van der Spoel
    • [gmx-users] LJ potential   nishap.patel at utoronto.ca
• [gmx-users] (no subject)   Miroslawa aleksandrowa
• [gmx-users] MPI and dual-core laptop   simon sham
  • [gmx-users] MPI and dual-core laptop   Gonçalo C. Justino
  • [gmx-users] MPI and dual-core laptop   Carsten Kutzner
  • [gmx-users] MPI and dual-core laptop   Florian Dommert
    • [gmx-users] MPI and dual-core laptop   Berk Hess
• [gmx-users] g_hbond segmentation fault   Yao Yao
  • [gmx-users] g_hbond segmentation fault   Erik Marklund
• [gmx-users] Hardware-specific crash with 4.5.1   Justin A. Lemkul
  • [gmx-users] Hardware-specific crash with 4.5.1   Roland Schulz
    • [gmx-users] Hardware-specific crash with 4.5.1   Justin A. Lemkul
      • [gmx-users] Hardware-specific crash with 4.5.1   Mark Abraham
      • [gmx-users] Hardware-specific crash with 4.5.1   Justin A. Lemkul
      • [gmx-users] Hardware-specific crash with 4.5.1   Mark Abraham
      • [gmx-users] Hardware-specific crash with 4.5.1   Roland Schulz
      • [gmx-users] Hardware-specific crash with 4.5.1   Justin A. Lemkul
• [gmx-users] Gromacs 4.0.7 failing in parallel mode   Jyoti Mahalik
  • [gmx-users] Gromacs 4.0.7 failing in parallel mode   Mark Abraham
• [gmx-users] Psuedo ONIOM gromacs MD run   TJ Mustard
  • [gmx-users] Psuedo ONIOM gromacs MD run   Mark Abraham
    • [gmx-users] Psuedo ONIOM gromacs MD run   TJ Mustard
• [gmx-users] My FEP so far (1)   TJ Mustard
  • [gmx-users] My FEP so far (1)   Sander Pronk
• [gmx-users] Another error that keeps comming up.   TJ Mustard
  • [gmx-users] Another error that keeps comming up.   TJ Mustard
• [gmx-users] Compilation error - GROMACS 4.5.1   Shachi Katira
  • [gmx-users] Compilation error - GROMACS 4.5.1   Mark Abraham
• [gmx-users] compiling gromacs4.5 with gpu   BIN ZHANG
  • [gmx-users] compiling gromacs4.5 with gpu   Roland Schulz
• [gmx-users] Reg: Liquid-liquid interface simulation   vinothkumar mohanakrishnan
  • [gmx-users] Reg: Liquid-liquid interface simulation   David van der Spoel
    • [gmx-users] Reg: Liquid-liquid interface simulation   vinothkumar mohanakrishnan
      • [gmx-users] Reg: Liquid-liquid interface simulation   Justin A. Lemkul
      • [gmx-users] Reg: Liquid-liquid interface simulation   vinothkumar mohanakrishnan
      • [gmx-users] Reg: Liquid-liquid interface simulation   Justin A. Lemkul
• [gmx-users] g_rdf normalization   Enemark Soeren
  • [gmx-users] g_rdf normalization   Berk Hess
• [gmx-users] Grompp Error : Segmentation fault   Alep Latep
  • [gmx-users] Grompp Error : Segmentation fault   Florian Dommert
  • [gmx-users] Grompp Error : Segmentation fault   Roland Schulz
    • [gmx-users] Grompp Error : Segmentation fault   Justin A. Lemkul
• [gmx-users] Looking for force field for metal oxides   Sanku M
• [gmx-users] Re: MPI and dual-core laptop   simon sham
• [gmx-users] compiling gromacs4.5 with gpu   BIN ZHANG
• [gmx-users] Fw: g_hbond segmentation fault   Yao Yao
  • [gmx-users] Fw: g_hbond segmentation fault   Erik Marklund
    • [gmx-users] Fw: g_hbond segmentation fault   Yao Yao
• [gmx-users] topolbuild cannot open logfile   andrew_m_norris at talk21.com
  • [gmx-users] topolbuild cannot open logfile   Bruce D. Ray
    • [gmx-users] topolbuild cannot open logfile   andrew_m_norris at talk21.com
• [gmx-users] about pull_init and pull_start   zhongjin
  • [gmx-users] about pull_init and pull_start   Justin A. Lemkul
• [gmx-users] g_hbond segmentation fault   Yao Yao
  • [gmx-users] g_hbond segmentation fault   David van der Spoel
    • [gmx-users] g_hbond segmentation fault   Yao Yao
      • [gmx-users] g_hbond segmentation fault   Erik Marklund
      • [gmx-users] g_hbond segmentation fault   Erik Marklund
• [gmx-users] g_correlation for version 4.0.7   Sanchari Banerjee
• [gmx-users] lipids number   #ZHAO LINA#
  • [gmx-users] lipids number   Justin A. Lemkul
    • [gmx-users] lipids number   #ZHAO LINA#
• [gmx-users] g_clustsize not recognize the -mol option and ignore the index file   Eudes Fileti
• [gmx-users] Pull Code for Secondary Stability   C Johnson
• [gmx-users] viscosity calculation   Payman Pirzadeh
  • [gmx-users] viscosity calculation   Justin A. Lemkul
    • [gmx-users] viscosity calculation   Payman Pirzadeh
      • [gmx-users] viscosity calculation   Warren Gallin
      • [gmx-users] viscosity calculation   David van der Spoel
      • [gmx-users] viscosity calculation   Payman Pirzadeh
      • [gmx-users] viscosity calculation_2   Payman Pirzadeh
      • [gmx-users] viscosity calculation_2   David van der Spoel
      • [gmx-users] viscosity calculation_2   Payman Pirzadeh
      • [gmx-users] viscosity calculation_2   Dallas Warren
      • [gmx-users] viscosity calculation_2   Payman Pirzadeh
      • [gmx-users] viscosity calculation_2   David van der Spoel
• [gmx-users] Steered molecular dynamics and Parinello-Rahman and bond constraints.   quantrum75
  • [gmx-users] Steered molecular dynamics and Parinello-Rahman and bond constraints.   Justin A. Lemkul
• [gmx-users] distance restrained D simulations   jayant james
  • [gmx-users] distance restrained D simulations   XAvier Periole
    • [gmx-users] distance restrained D simulations   jayant james
  • [gmx-users] distance restrained D simulations   Justin A. Lemkul
  • [gmx-users] distance restrained D simulations   Mark Abraham
• [gmx-users] Water molecule starting at atom x can not be settled - minimization step   Trang
  • [gmx-users] Water molecule starting at atom x can not be settled - minimization step   Justin A. Lemkul
• [gmx-users] Error : There is no domain decomposition for 4 nodes that compatible with the given box   ABEL Stephane 175950
  • [gmx-users] Error : There is no domain decomposition for 4 nodes that compatible with the given box   Justin A. Lemkul
• [gmx-users] Error : There is no domain decomposition for   ABEL Stephane 175950
  • [gmx-users] Error : There is no domain decomposition for   Mark Abraham
  • [gmx-users] Error : There is no domain decomposition for   Justin A. Lemkul
• [gmx-users] Re: Error : There is no domain decomposition for ....   ABEL Stephane 175950
  • [gmx-users] Re: Error : There is no domain decomposition for ....   Mark Abraham
• [gmx-users] NAMD simulation in Gromacs   oguz gurbulak
  • [gmx-users] NAMD simulation in Gromacs   Mark Abraham
    • [gmx-users] NAMD simulation in Gromacs   André Farias de Moura
    • [gmx-users] NAMD simulation in Gromacs   Roland Schulz
      • [gmx-users] NAMD simulation in Gromacs   oguz gurbulak
      • [gmx-users] NAMD simulation in Gromacs   Francesco Oteri
• [gmx-users] Re: gromacs   Justin A. Lemkul
• [gmx-users] RE : gmx-users Digest, Vol 77, Issue 201   ABEL Stephane 175950
• [gmx-users] Free Energy Calculation   Петр Попов
  • [gmx-users] Free Energy Calculation   Mark Abraham
• [gmx-users] Usage of new features in 4.5.1   Francesco Oteri
  • [gmx-users] Usage of new features in 4.5.1   Roland Schulz
    • [gmx-users] Usage of new features in 4.5.1   Francesco Oteri
      • [gmx-users] Usage of new features in 4.5.1   Roland Schulz
• [gmx-users] RE: Error in mdrun   Nimesh Jain
  • [gmx-users] RE: Error in mdrun   Justin A. Lemkul
• [gmx-users] g_hbond segmentation fault   Yao Yao
  • [gmx-users] g_hbond segmentation fault   Justin A. Lemkul
• [gmx-users] gromacs (4.5) installation problem   Moeed
  • [gmx-users] gromacs (4.5) installation problem   Justin A. Lemkul
• [gmx-users] Free Energy Calculation   Петр Попов
• [gmx-users] grompp Input/Output Error   Peter Nash
  • [gmx-users] grompp Input/Output Error   Justin A. Lemkul
• [gmx-users] g_principal outputs   Payman Pirzadeh

Last message date: Thu Sep 30 23:58:00 CEST 2010
Archived on: Thu Nov 14 12:09:23 CET 2013

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