June 2011 Archives by thread

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Starting: Wed Jun 1 00:23:12 CEST 2011
Ending: Thu Jun 30 20:20:52 CEST 2011
Messages: 819

• [gmx-users] Dreiding force field in Gromacs ?   Sanku M
• [gmx-users] implicit solvent LINCS errors   Joshua L. Phillips
• [gmx-users] implicit solvent LINCS errors   Michael Daily
  • [gmx-users] implicit solvent LINCS errors   Michael D. Daily
    • [gmx-users] implicit solvent LINCS errors   Joshua L. Phillips
• [gmx-users] Re: gmx-users Digest, Vol 85, Issue 209   shiva birgani
  • [gmx-users] flexibility   Justin A. Lemkul
    • [gmx-users] flexibility   Tsjerk Wassenaar
      • [gmx-users] flexibility   Thomas Evangelidis
• [gmx-users] Gravity force in equation of motion   mohsen ramezanpour
  • [gmx-users] Gravity force in equation of motion   Jianguo Li
    • [gmx-users] Gravity force in equation of motion   mohsen ramezanpour
• [gmx-users] scaling non-bonded interactions   Kukol, Andreas
  • [gmx-users] scaling non-bonded interactions   Da-Wei Li
  • [gmx-users] scaling non-bonded interactions   Justin A. Lemkul
    • [gmx-users] scaling non-bonded interactions   Da-Wei Li
      • [gmx-users] scaling non-bonded interactions   Justin A. Lemkul
      • [gmx-users] scaling non-bonded interactions   Kukol, Andreas
      • [gmx-users] scaling non-bonded interactions   Justin A. Lemkul
  • [gmx-users] scaling non-bonded interactions   Mark Abraham
• AW: Re: [gmx-users] where can I download POPC membrane file?   Thomas Piggot
  • AW: Re: [gmx-users] where can I download POPC membrane file?   albert
• [gmx-users] g_covar   Kavyashree M
  • [gmx-users] g_covar   Tsjerk Wassenaar
    • [gmx-users] g_covar   Kavyashree M
• [gmx-users] Steered Molecular dynamics   bharat gupta
  • [gmx-users] Steered Molecular dynamics   Justin A. Lemkul
• [gmx-users] .gro to .pqr   Mona Habibi
  • [gmx-users] .gro to .pqr   Justin A. Lemkul
    • [gmx-users] .gro to .pqr   Justin A. Lemkul
      • [gmx-users] .gro to .pqr   Mona Habibi
      • [gmx-users] .gro to .pqr   Justin A. Lemkul
      • [gmx-users] .gro to .pqr   Francesco Oteri
• [gmx-users] compression to study pressure effect   Elisabeth
  • [gmx-users] compression to study pressure effect   Justin A. Lemkul
• [gmx-users] Re: compression to study pressure effect   Vitaly Chaban
  • [gmx-users] Re: compression to study pressure effect   Vitaly Chaban
• [gmx-users] Re: scaling non-bonded interactions   Vitaly Chaban
  • [gmx-users] Re: scaling non-bonded interactions   Justin A. Lemkul
    • [gmx-users] Re: scaling non-bonded interactions   Vitaly Chaban
      • [gmx-users] Re: scaling non-bonded interactions   Kukol, Andreas
      • [gmx-users] Re: scaling non-bonded interactions   Justin A. Lemkul
• [gmx-users] question about trajcat command: Merge files   Miguel Quiliano Meza
  • [gmx-users] question about trajcat command: Merge files   Justin A. Lemkul
  • [gmx-users] question about trajcat command: Merge files   Kukol, Andreas
• [gmx-users] Re: question about trajcat command: Merge files   Miguel Quiliano Meza
  • [gmx-users] Re: question about trajcat command: Merge files   Justin A. Lemkul
• [gmx-users] viscosity   Thomas Koller
  • [gmx-users] viscosity   Dommert Florian
• [gmx-users] gmx4.5.4 installation help   Chandan Choudhury
  • [gmx-users] gmx4.5.4 installation help   Mark Abraham
  • [gmx-users] gmx4.5.4 installation help   Jianguo Li
    • [gmx-users] gmx4.5.4 installation help   Joshua L. Phillips
      • [gmx-users] gmx4.5.4 installation help   Chandan Choudhury
• [gmx-users] g_rdf query   Anirban Ghosh
  • [gmx-users] g_rdf query   Mark Abraham
• [gmx-users] Enthalpy of vaporization   Fabian Casteblanco
  • [gmx-users] Enthalpy of vaporization   Justin A. Lemkul
• [gmx-users] Invitation to connect on LinkedIn   srajan jain via LinkedIn
• [gmx-users] Fatal error: Not enough memory. Failed to realloc   shivangi nangia
  • [gmx-users] Fatal error: Not enough memory. Failed to realloc   Justin A. Lemkul
• [gmx-users] Protein ligand segmentation fault   גדעון לפידות
  • [gmx-users] Protein ligand segmentation fault   Justin A. Lemkul
• [gmx-users] Enthalpy of Vaporization   Fabian Casteblanco
  • [gmx-users] Enthalpy of Vaporization   Justin A. Lemkul
• [gmx-users] g_dipoles + tpbconv   Nilesh Dhumal
  • [gmx-users] g_dipoles + tpbconv   Justin A. Lemkul
• [gmx-users] Switching from v4.0.7 to v 4.5.3 - being able to get the correct terms from a edr file when continuing a simulation   Anna Duncan
  • [gmx-users] Switching from v4.0.7 to v 4.5.3 - being able to get the correct terms from a edr file when continuing a simulation   Justin A. Lemkul
    • [gmx-users] Switching from v4.0.7 to v 4.5.3 - being able to get the correct terms from a edr file when continuing a simulation   Anna Duncan
      • [gmx-users] Switching from v4.0.7 to v 4.5.3 - being able to get the correct terms from a edr file when continuing a simulation   Justin A. Lemkul
• [gmx-users] error: Only triclinic boxes...   Elisabeth
  • [gmx-users] error: Only triclinic boxes...   Justin A. Lemkul
    • [gmx-users] error: Only triclinic boxes...   Elisabeth
      • [gmx-users] error: Only triclinic boxes...   Justin A. Lemkul
      • [gmx-users] error: Only triclinic boxes...   Elisabeth
      • [gmx-users] error: Only triclinic boxes...   Justin A. Lemkul
  • [gmx-users] error: Only triclinic boxes...   Mark Abraham
    • [gmx-users] error: Only triclinic boxes...   Elisabeth
• [gmx-users] Re: Re: question about trjcat command: Merge files   Miguel Quiliano Meza
• [gmx-users] Enthalpy of Vaporization   Fabian Casteblanco
  • [gmx-users] Enthalpy of Vaporization   Justin A. Lemkul
• [gmx-users] Enthalpy of Vaporization   Fabian Casteblanco
• [gmx-users] Solvating dodecahedron   shivangi nangia
  • [gmx-users] Solvating dodecahedron   Justin A. Lemkul
    • [gmx-users] Solvating dodecahedron   Tsjerk Wassenaar
      • [gmx-users] Solvating dodecahedron   Justin A. Lemkul
• [gmx-users] g_rdf: how to change grid spacing for structure factor   Sanku M
• [gmx-users] Liquid/Gas Systems   Fabian Casteblanco
  • [gmx-users] Liquid/Gas Systems   Justin A. Lemkul
    • [gmx-users] Liquid/Gas Systems   Jussi Lehtola
• [gmx-users] selecting atoms---MD analysis   Mr Bernard Ramos
  • [gmx-users] selecting atoms---MD analysis   Justin A. Lemkul
• [gmx-users] Re: compression to study pressure effect   Vitaly Chaban
• [gmx-users] Re: Liquid/Gas Systems   Vitaly Chaban
• [gmx-users] Re: compression to study pressure effect   Justin A. Lemkul
• [gmx-users] option -pbc in trjconv   Kavyashree M
  • [gmx-users] option -pbc in trjconv   Mark Abraham
• [gmx-users] option -pbc in trjconv   Kavyashree M
  • [gmx-users] option -pbc in trjconv   Mark Abraham
• [gmx-users] strain   Emine Deniz Tekin
• [gmx-users] Combining part files after using -noappend   Zack Scholl
  • [gmx-users] Combining part files after using -noappend   Justin A. Lemkul
• [gmx-users] Is there still interest in rigid-body simulation?   Adam Herbst
• [gmx-users] FFT plan mismatch with mdrun_mpi   Christian Blouin
  • [gmx-users] FFT plan mismatch with mdrun_mpi   Mark Abraham
• [gmx-users] Order Parameters   simon sham
• [gmx-users] Re: my apologize   Vitaly Chaban
• [gmx-users] Why does the -append option exist?   Dimitar Pachov
  • [gmx-users] Why does the -append option exist?   Amit Choubey
  • [gmx-users] Why does the -append option exist?   Mark Abraham
    • [gmx-users] Why does the -append option exist?   Dimitar Pachov
      • [gmx-users] Why does the -append option exist?   Rossen Apostolov
      • [gmx-users] Why does the -append option exist?   Dimitar Pachov
      • [gmx-users] Why does the -append option exist?   Mark Abraham
      • [gmx-users] Why does the -append option exist?   Dimitar Pachov
      • [gmx-users] Why does the -append option exist?   Mark Abraham
      • [gmx-users] Why does the -append option exist?   Dimitar Pachov
      • [gmx-users] Why does the -append option exist?   Mark Abraham
      • [gmx-users] Why does the -append option exist?   Francesco Oteri
      • [gmx-users] Why does the -append option exist?   Mark Abraham
      • [gmx-users] Why does the -append option exist?   Roland Schulz
      • [gmx-users] Why does the -append option exist?   Dimitar Pachov
      • [gmx-users] Why does the -append option exist?   Justin A. Lemkul
      • [gmx-users] Why does the -append option exist?   Roland Schulz
      • [gmx-users] Why does the -append option exist?   Sander Pronk
      • [gmx-users] Why does the -append option exist?   Dimitar Pachov
      • [gmx-users] Why does the -append option exist?   Roland Schulz
      • [gmx-users] Why does the -append option exist?   Dimitar Pachov
  • [gmx-users] Why does the -append option exist?   Jussi Lehtola
• [gmx-users] g_rotacf   simon sham
  • [gmx-users] g_rotacf   Mark Abraham
    • [gmx-users] g_rotacf   Mark Abraham
• [gmx-users] g_rdf problem   Sanku M
• [gmx-users] Re: Indexing problem when using genconf   Ryan S Davis (rsdavis1)
  • [gmx-users] Re: Indexing problem when using genconf   Mark Abraham
• [gmx-users] Essential dynamics - concepts   Kavyashree M
  • [gmx-users] Essential dynamics - concepts   Tsjerk Wassenaar
    • [gmx-users] Essential dynamics - concepts   Kavyashree M
      • [gmx-users] Essential dynamics - concepts   Tsjerk Wassenaar
      • [gmx-users] Essential dynamics - concepts   Kavyashree M
      • [gmx-users] Essential dynamics - concepts   Tsjerk Wassenaar
      • [gmx-users] Essential dynamics - concepts   Kavyashree M
• [gmx-users] About publication   vidhya sankar
  • [gmx-users] About publication   Justin A. Lemkul
• [gmx-users] trjconv and g_filter   Yulian Gavrilov
  • [gmx-users] trjconv and g_filter   Justin A. Lemkul
• [gmx-users] binaries for mac os x 10.6   chris.neale at utoronto.ca
  • [gmx-users] binaries for mac os x 10.6   Clement Angkawidjaja
  • [gmx-users] binaries for mac os x 10.6   lina
• [gmx-users] Transition path sampling   Sanku M
  • [gmx-users] Transition path sampling   felmerino at uchile.cl
• [gmx-users] Why does the -append option exist?   chris.neale at utoronto.ca
• [gmx-users] top2psf.pl   Faezeh Kargar
  • [gmx-users] top2psf.pl   Justin A. Lemkul
• [gmx-users] energy conservation   Gavin Melaugh
  • [gmx-users] energy conservation   Erik Marklund
• [gmx-users] pull_vec   Gavin Melaugh
• [gmx-users] writing trajectory with water molecules within a distance from protein   maria goranovic
• [gmx-users] Fatal Error: The largest charge group contains 140 atoms. The maximum is 32   Lalit
  • [gmx-users] Fatal Error: The largest charge group contains 140 atoms. The maximum is 32   Justin A. Lemkul
• [gmx-users] proper tau_t value with SD   Hyunjin Kim
  • [gmx-users] proper tau_t value with SD   Justin A. Lemkul
• [gmx-users] carbon nano tubes pdb file   sreelakshmi ramesh
  • [gmx-users] carbon nano tubes pdb file   Justin A. Lemkul
• [gmx-users] reg hydrophobicx interaction   vidhya sankar
  • [gmx-users] reg hydrophobicx interaction   Justin A. Lemkul
• [gmx-users] RE: Essential dynamics - concepts (Kavyashree M)   Ran Friedman
  • [gmx-users] RE: Essential dynamics - concepts (Kavyashree M)   Kavyashree M
• [gmx-users] Re: carbon nano tubes pdb file   Vitaly Chaban
• [gmx-users] g_covar eigenval.xvg   Tom Rodgers
• [gmx-users] Gauche dihedrals fraction   Sławomir Stachura
  • [gmx-users] Gauche dihedrals fraction   Justin A. Lemkul
• [gmx-users] Atom OXT in residue ASP 18 was not found in rtp entry ASP with 9 atoms while sorting atoms.   Emine Deniz Tekin
• [gmx-users] Rotational autocorrelation function of molecules using g_rotacf   Andrew DeYoung
  • [gmx-users] Rotational autocorrelation function of molecules using g_rotacf   Justin A. Lemkul
• [gmx-users] (no subject)   Nilesh Dhumal
• [gmx-users] Negative pressure   Francisco Garcia
  • [gmx-users] Negative pressure   Mark Abraham
• [gmx-users] reg linear interpolation   vidhya sankar
  • [gmx-users] reg linear interpolation   Justin A. Lemkul
    • [gmx-users] distance/direction PMF   Gavin Melaugh
      • [gmx-users] Re: distance/direction PMF   Justin A. Lemkul
      • [gmx-users] Re: distance/direction PMF   Gavin Melaugh
      • [gmx-users] Re: distance/direction PMF   Justin A. Lemkul
      • [gmx-users] Re: distance/direction PMF   Gavin Melaugh
      • [gmx-users] Re: distance/direction PMF   Justin A. Lemkul
      • [gmx-users] Re: distance/direction PMF   Gavin Melaugh
      • [gmx-users] Re: distance/direction PMF   Justin A. Lemkul
      • [gmx-users] Re: distance/direction PMF   Gavin Melaugh
      • [gmx-users] Re: distance/direction PMF   Justin A. Lemkul
      • [gmx-users] Re: distance/direction PMF   Gavin Melaugh
• [gmx-users] fatal error   Gavin Melaugh
• [gmx-users] Gromacs-4.5.4 install error   xuji
  • [gmx-users] Gromacs-4.5.4 install error   Mark Abraham
• [gmx-users] effect of slab geometry correction on Coulomb energies for interface systems   Ozge Engin
• [gmx-users] problem in g_density   cdalgicdir
  • [gmx-users] problem in g_density   Mark Abraham
• [gmx-users] oplsaa vs. charmm   Thomas Evangelidis
  • [gmx-users] oplsaa vs. charmm   Michael Daily
    • [gmx-users] oplsaa vs. charmm   Da-Wei Li
      • [gmx-users] oplsaa vs. charmm   Justin A. Lemkul
      • [gmx-users] oplsaa vs. charmm   Thomas Evangelidis
      • [gmx-users] oplsaa vs. charmm   Da-Wei Li
• [gmx-users] g_hbond/g_sas - how is it calculated?   Marzinek, Jan
  • [gmx-users] g_hbond/g_sas - how is it calculated?   lina
  • [gmx-users] g_hbond/g_sas - how is it calculated?   Justin A. Lemkul
• [gmx-users] (no subject)   Sven Benson
  • [gmx-users] (no subject)   Justin A. Lemkul
• [gmx-users] Question about umbrella sampling "pull-geometry" option   WU Yanbin
  • [gmx-users] Question about umbrella sampling "pull-geometry" option   Justin A. Lemkul
• [gmx-users] a question about position restraint time for long alkyl chain molecules   XUEMING TANG
  • [gmx-users] a question about position restraint time for long alkyl chain molecules   Justin A. Lemkul
    • [gmx-users] a question about position restraint time for long alkyl chain molecules   XUEMING TANG
      • [gmx-users] a question about position restraint time for long alkyl chain molecules   Justin A. Lemkul
      • [gmx-users] a question about position restraint time for long alkyl chain molecules   XUEMING TANG
• [gmx-users] Calculation of unsaturated deuterium order parameters for POPC   Thomas Piggot
  • [gmx-users] Calculation of unsaturated deuterium order parameters for POPC   Igor Marques
    • [gmx-users] Calculation of unsaturated deuterium order parameters for POPC   Thomas Piggot
      • [gmx-users] Calculation of unsaturated deuterium order parameters for POPC   Justin A. Lemkul
      • [gmx-users] Calculation of unsaturated deuterium order parameters for POPC   Thomas Piggot
      • [gmx-users] Calculation of unsaturated deuterium order parameters for POPC   Thomas Piggot
• [gmx-users] Umbrella sampling of phosphate ion binding   bharat gupta
  • [gmx-users] Umbrella sampling of phosphate ion binding   Justin A. Lemkul
    • [gmx-users] Umbrella sampling of phosphate ion binding   bharat gupta
      • [gmx-users] Umbrella sampling of phosphate ion binding   Justin A. Lemkul
      • [gmx-users] Umbrella sampling of phosphate ion binding   bharat gupta
      • [gmx-users] Umbrella sampling of phosphate ion binding   Justin A. Lemkul
      • [gmx-users] Umbrella sampling of phosphate ion binding   bharat gupta
      • [gmx-users] Umbrella sampling of phosphate ion binding   Justin A. Lemkul
• [gmx-users] Umbrella sampling of phosphate ion binding   Dallas Warren
  • [gmx-users] Umbrella sampling of phosphate ion binding   bharat gupta
• [gmx-users] Umbrella sampling of phosphate ion binding   Justin A. Lemkul
• [gmx-users] Umbrella sampling of phosphate ion binding   Dallas Warren
  • [gmx-users] Umbrella sampling of phosphate ion binding   bharat gupta
• [gmx-users] Re:Umbrella sampling of phosphate ion binding (Dallas Warren)   lloyd riggs
  • [gmx-users] Re:Umbrella sampling of phosphate ion binding (Dallas Warren)   Justin A. Lemkul
• [gmx-users] All-atom topologies for lipid head groups   Ioannis Beis
  • [gmx-users] All-atom topologies for lipid head groups   Justin A. Lemkul
    • [gmx-users] All-atom topologies for lipid head groups   Thomas Piggot
• [gmx-users] Re: oplsaa vs. charmm (Thomas Evangelidis)   Ran Friedman
• [gmx-users] creating topology using g_x2top   sreelakshmi ramesh
  • [gmx-users] creating topology using g_x2top   Justin A. Lemkul
• [gmx-users] RE: Re:Umbrella sampling of phosphate ion binding (Dallas Warren)   lloyd riggs
  • [gmx-users] RE: Re:Umbrella sampling of phosphate ion binding (Dallas Warren)   Justin A. Lemkul
• [gmx-users] Re: problem in g_density   cdalgicdir
• [gmx-users] Comparing single with double precision runs   Kalavera at gmx.net
  • [gmx-users] Comparing single with double precision runs   Jussi Lehtola
• [gmx-users] Calculation of unsaturated deuterium order parameters for POPC   chris.neale at utoronto.ca
  • [gmx-users] Calculation of unsaturated deuterium order parameters for POPC   Justin A. Lemkul
• [gmx-users] local pressure calcuation for Gromacs-4.5   Amit Choubey
  • [gmx-users] local pressure calcuation for Gromacs-4.5   Justin A. Lemkul
    • [gmx-users] local pressure calcuation for Gromacs-4.5   Amit Choubey
      • [gmx-users] local pressure calcuation for Gromacs-4.5   Justin A. Lemkul
      • [gmx-users] local pressure calcuation for Gromacs-4.5   Jianguo Li
      • [gmx-users] local pressure calcuation for Gromacs-4.5   Mark Abraham
      • [gmx-users] local pressure calcuation for Gromacs-4.5   Amit Choubey
      • [gmx-users] local pressure calcuation for Gromacs-4.5   Justin A. Lemkul
• [gmx-users] 1,4 hydrogen pairtypes in CHARMM36   Peter C. Lai
• [gmx-users] Invalid angle type 0 error during minimization.   sreelakshmi ramesh
  • [gmx-users] Invalid angle type 0 error during minimization.   Justin A. Lemkul
• [gmx-users] Invitation to connect on LinkedIn   Ting Zhou via LinkedIn
• [gmx-users] Atoms in the .top are not numbered consecutively from 1   sreelakshmi ramesh
  • [gmx-users] Atoms in the .top are not numbered consecutively from 1   Justin A. Lemkul
• [gmx-users] entropy from eigenfrequency   nahren manuel
• [gmx-users] Invitation to connect on LinkedIn   Ting Zhou via LinkedIn
• [gmx-users] Calculation of unsaturated deuterium order parameters for POPC   chris.neale at utoronto.ca
• [gmx-users] Lennard Jones interactions   Nilesh Dhumal
  • [gmx-users] Lennard Jones interactions   Andrew Paluch
  • [gmx-users] Lennard Jones interactions   Justin A. Lemkul
    • [gmx-users] Lennard Jones interactions   Nilesh Dhumal
      • [gmx-users] Lennard Jones interactions   Andrew Paluch
      • [gmx-users] Lennard Jones interactions   Nilesh Dhumal
      • [gmx-users] Lennard Jones interactions   Andrew Paluch
      • [gmx-users] Lennard Jones interactions   Justin A. Lemkul
• [gmx-users] http gromacs.org down?   Peter C. Lai
• [gmx-users] Largest charge group radii for Van der Waals; Largest charge group radii for Coulomb   Tom
  • [gmx-users] Largest charge group radii for Van der Waals; Largest charge group radii for Coulomb   Javier Cerezo
    • [gmx-users] Largest charge group radii for Van der Waals; Largest charge group radii for Coulomb   Justin A. Lemkul
• [gmx-users] reg SA cum SMD   vidhya sankar
  • [gmx-users] reg SA cum SMD   Justin A. Lemkul
• [gmx-users] error during equilibriation   sreelakshmi ramesh
  • [gmx-users] error during equilibriation   Justin A. Lemkul
• [gmx-users] Re: error during equilibriation   sreelakshmi ramesh
  • [gmx-users] Re: error during equilibriation   Justin A. Lemkul
    • [gmx-users] Re: error during equilibriation   sreelakshmi ramesh
      • [gmx-users] Re: error during equilibriation   Justin A. Lemkul
• [gmx-users] Re: reg SA cum SMD   vidhya sankar
• [gmx-users] Regarding calculation of Salt bridge between specific group of atoms   bipin singh
  • [gmx-users] Regarding calculation of Salt bridge between specific group of atoms   Justin A. Lemkul
    • [gmx-users] Regarding calculation of Salt bridge between specific group of atoms   bipin singh
• [gmx-users] ED-analysis   Kavyashree M
  • [gmx-users] ED-analysis   Tsjerk Wassenaar
    • [gmx-users] ED-analysis   Kavyashree M
      • [gmx-users] ED-analysis   Tsjerk Wassenaar
      • [gmx-users] ED-analysis   Kavyashree M
• [gmx-users] SA and smd   vidhya sankar
  • [gmx-users] SA and smd   Justin A. Lemkul
• [gmx-users] reg ionic strength effect on the given protein   vidhya sankar
  • [gmx-users] reg ionic strength effect on the given protein   Justin A. Lemkul
• [gmx-users] Re: Largest charge group radii for Van der Waals; Largest   Tom
  • [gmx-users] Re: Largest charge group radii for Van der Waals; Largest   Justin A. Lemkul
• [gmx-users] gromacs 2.1   chris.neale at utoronto.ca
  • [gmx-users] gromacs 2.1   Roland Schulz
    • [gmx-users] gromacs 2.1   Rossen Apostolov
• [gmx-users] g_energy   Juliette N.
  • [gmx-users] g_energy   Justin A. Lemkul
• [gmx-users] Regarding H-bond autocorrelation   bipin singh
  • [gmx-users] Regarding H-bond autocorrelation   bipin singh
  • [gmx-users] Regarding H-bond autocorrelation   Erik Marklund
    • [gmx-users] Regarding H-bond autocorrelation   bipin singh
      • [gmx-users] Regarding H-bond autocorrelation   Erik Marklund
      • [gmx-users] Regarding H-bond autocorrelation   bipin singh
      • [gmx-users] Regarding H-bond autocorrelation   bipin singh
      • [gmx-users] Regarding H-bond autocorrelation   Erik Marklund
• [gmx-users] nonormalize option in g_rotacf   Andrew DeYoung
  • [gmx-users] nonormalize option in g_rotacf   Justin A. Lemkul
• [gmx-users] Dissociation of Ligand-reg   ITHAYARAJA
  • [gmx-users] Dissociation of Ligand-reg   Justin A. Lemkul
  • [gmx-users] Re: Dissociation of Ligand-reg   ITHAYARAJA
    • [gmx-users] Re: Dissociation of Ligand-reg   Justin A. Lemkul
• [gmx-users] reg PME usage   vidhya sankar
  • [gmx-users] reg PME usage   Mark Abraham
• [gmx-users] reg electrostatics interaction   vidhya sankar
• [gmx-users] reg PME usage   vidhya sankar
  • [gmx-users] reg PME usage   Mark Abraham
• [gmx-users] Force field parameters for phosphorylated tyrosine   bharat gupta
  • [gmx-users] Force field parameters for phosphorylated tyrosine   Mark Abraham
    • [gmx-users] Force field parameters for phosphorylated tyrosine   bharat gupta
      • [gmx-users] Force field parameters for phosphorylated tyrosine   Justin A. Lemkul
      • [gmx-users] Force field parameters for phosphorylated tyrosine   Peter C. Lai
• [gmx-users] MD - analysis   Kavyashree M
  • [gmx-users] MD - analysis   Justin A. Lemkul
    • [gmx-users] MD - analysis   Kavyashree M
      • [gmx-users] MD - analysis   Justin A. Lemkul
      • [gmx-users] MD - analysis   Kavyashree M
      • [gmx-users] MD - analysis   Justin A. Lemkul
      • [gmx-users] MD - analysis   Kavyashree M
      • [gmx-users] MD - analysis   Justin A. Lemkul
      • [gmx-users] MD - analysis   Kavyashree M
      • [gmx-users] MD - analysis   Justin A. Lemkul
• [gmx-users] energy file with g_dipoles   Asmaa Elsheshiny
• [gmx-users] g_confrms and superimposed structures   leila karami
• [gmx-users] g_confrms and superimposed structures   leila karami
  • [gmx-users] g_confrms and superimposed structures   Justin A. Lemkul
• [gmx-users] g_confrms and superimposed structures   leila karami
  • [gmx-users] g_confrms and superimposed structures   Justin A. Lemkul
• [gmx-users] g_confrms and superimposed structures   leila karami
  • [gmx-users] g_confrms and superimposed structures   Justin A. Lemkul
• [gmx-users] Reducing density using -vdwd option for a new solvent in the system   shivangi nangia
  • [gmx-users] Reducing density using -vdwd option for a new solvent in the system   Justin A. Lemkul
    • [gmx-users] Reducing density using -vdwd option for a new solvent in the system   shivangi nangia
      • [gmx-users] Reducing density using -vdwd option for a new solvent in the system   shivangi nangia
      • [gmx-users] Reducing density using -vdwd option for a new solvent in the system   Justin A. Lemkul
      • [gmx-users] Reducing density using -vdwd option for a new solvent in the system   shivangi nangia
      • [gmx-users] Reducing density using -vdwd option for a new solvent in the system   Justin A. Lemkul
• [gmx-users] Re: Force field parameters for phosphorylated   sarah k
  • [gmx-users] Re: Force field parameters for phosphorylated   Justin A. Lemkul
• [gmx-users] ionic strength and PME   vidhya sankar
  • [gmx-users] ionic strength and PME   Justin A. Lemkul
• [gmx-users] Gradually increasing the force constant during restrained MD runs   Aditi Borkar
• [gmx-users] helix dihedral constraint   Sanku M
  • [gmx-users] helix dihedral constraint   Justin A. Lemkul
• [gmx-users] Water Potential Energy   Rini Gupta
  • [gmx-users] Water Potential Energy   Mark Abraham
    • Re: Re: [gmx-users] Water Potential Energy   Rini Gupta
      • [gmx-users] Water Potential Energy   Mark Abraham
• [gmx-users] Gradually increasing the force constant during restrained MD runs   chris.neale at utoronto.ca
• [gmx-users] Re: nonormalize option in g_rotacf   Andrew DeYoung
• [gmx-users] rdf   Nilesh Dhumal
• [gmx-users] AFM Simulation   Michael McGovern
• [gmx-users] data points missing   Kavyashree M
  • [gmx-users] data points missing   Mark Abraham
  • [gmx-users] Re: data points missing   Kavyashree M
    • [gmx-users] Re: data points missing   Mark Abraham
• [gmx-users] Re: gmx-users Digest, Vol 86, Issue 84   Ravi Kumar Venkatraman
  • [gmx-users] Re: gmx-users Digest, Vol 86, Issue 84   Mark Abraham
• [gmx-users] g_sas index files/hydrogen bonds   Marzinek, Jan
  • [gmx-users] g_sas index files/hydrogen bonds   Mark Abraham
• [gmx-users] rdf   Nilesh Dhumal
  • [gmx-users] rdf   Mark Abraham
• [gmx-users] Problem with 512 membrane   Du Jiangfeng (BIOCH)
  • [gmx-users] Problem with 512 membrane   Justin A. Lemkul
• [gmx-users] mdrun -nc   Hsin-Lin Chiang
  • [gmx-users] mdrun -nc   Justin A. Lemkul
    • [gmx-users] mdrun -nc   Joshua L. Phillips
• [gmx-users] Questions about GB parameters   Justin A. Lemkul
  • [gmx-users] Questions about GB parameters   Per Larsson
  • [gmx-users] Questions about GB parameters   Mark Abraham
    • [gmx-users] Questions about GB parameters   Justin A. Lemkul
      • [gmx-users] Questions about GB parameters   Per Larsson
      • [gmx-users] Questions about GB parameters   Justin A. Lemkul
• [gmx-users] Question about umbrella sampling through a nanotube   WU Yanbin
• [gmx-users] Question about umbrella sampling through a nanotube   chris.neale at utoronto.ca
• [gmx-users] simulating a protein homodimer   Stephen Edgcomb
  • [gmx-users] simulating a protein homodimer   Justin A. Lemkul
• [gmx-users] trjconv with superposition   Liu Shiyong
  • [gmx-users] trjconv with superposition   Justin A. Lemkul
• [gmx-users] g_density   Matthias Schmidt
• [gmx-users] Re: mdrun -nc   Hsin-Lin Chiang
• [gmx-users] trjcat crashes with error 9360 killed when concatenating large number of frames, bug ?   maria goranovic
  • [gmx-users] trjcat crashes with error 9360 killed when concatenating large number of frames, bug ?   Mark Abraham
  • [gmx-users] trjcat crashes with error 9360 killed when concatenating large number of frames, bug ?   Justin A. Lemkul
    • [gmx-users] trjcat crashes with error 9360 killed when concatenating large number of frames, bug ?   maria goranovic
• [gmx-users] initial temperature ridiculously high   GZ Zhang
  • [gmx-users] initial temperature ridiculously high   Justin A. Lemkul
• [gmx-users] centering a bilayer at a cartesian coordinate   chris.neale at utoronto.ca
  • [gmx-users] centering a bilayer at a cartesian coordinate   chris.neale at utoronto.ca
• [gmx-users] CHARMM forcefield   simon sham
  • [gmx-users] CHARMM forcefield   Justin A. Lemkul
• [gmx-users] Including quadrupole-charge interaction in GROMACS   WU Yanbin
  • [gmx-users] Including quadrupole-charge interaction in GROMACS   Erik Marklund
    • [gmx-users] Including quadrupole-charge interaction in GROMACS   WU Yanbin
      • [gmx-users] Including quadrupole-charge interaction in GROMACS   Erik Marklund
• [gmx-users] Position restraints   Tom Dupree
  • [gmx-users] Position restraints   Mark Abraham
• [gmx-users] g_density   chris.neale at utoronto.ca
• [gmx-users] RE: Including quadrupole-charge interaction in GROMACS (WU Yanbin)   Ran Friedman
• [gmx-users] Implicit solvent calculatiom   Netaly Khazanov
  • [gmx-users] Implicit solvent calculatiom   Mark Abraham
• [gmx-users] Position restraints with multiple identical molecules   Craig Kitchen
  • [gmx-users] Position restraints with multiple identical molecules   Justin A. Lemkul
• [gmx-users] Re: gmx-users Digest, Vol 86, Issue 97   ITHAYARAJA
  • [gmx-users] Group DRG not found in indexfile   Justin A. Lemkul
  • [gmx-users] Re: gmx-users Digest, Vol 86, Issue 97   ITHAYARAJA
    • [gmx-users] Re: gmx-users Digest, Vol 86, Issue 97   Mark Abraham
    • [gmx-users] Re: gmx-users Digest, Vol 86, Issue 97   ITHAYARAJA
      • [gmx-users] thermostats   Mark Abraham
• [gmx-users] Position restraints with multiple identical molecules   Craig Kitchen
• [gmx-users] an error for .tpr files   Maria Hamilton
  • [gmx-users] an error for .tpr files   Mark Abraham
• [gmx-users] residue HISB not found 4.5.3 versus 4.0.7 OPLSAA   maria goranovic
  • [gmx-users] residue HISB not found 4.5.3 versus 4.0.7 OPLSAA   Mark Abraham
    • [gmx-users] residue HISB not found 4.5.3 versus 4.0.7 OPLSAA   maria goranovic
      • [gmx-users] residue HISB not found 4.5.3 versus 4.0.7 OPLSAA   Mark Abraham
• [gmx-users] Position restraints with multiple identical molecules   Craig Kitchen
• [gmx-users] g_dist   Nilesh Dhumal
• [gmx-users] g_hbond   simon sham
• [gmx-users] g_dist   chris.neale at utoronto.ca
• [gmx-users] Can't unfold the protein   Hsin-Lin Chiang
• [gmx-users] Can't unfold the protein   chris.neale at utoronto.ca
• [gmx-users] Can't unfold the protein   Hsin-Lin Chiang
• [gmx-users] Gromacs to Amber trajectory   Raja Pandian
  • [gmx-users] Gromacs to Amber trajectory   Mark Abraham
    • [gmx-users] Gromacs to Amber trajectory   Raja Pandian
• [gmx-users] Can't unfold the protein   chris.neale at utoronto.ca
  • [gmx-users] Can't unfold the protein   felmerino at uchile.cl
• [gmx-users] gmx4.5.4 genion problem: No line with moleculetype 'SOL' found   Ye Yang
  • [gmx-users]gmx4.5.4 genion problem: No line with moleculetype 'SOL' found   Ye Yang
  • [gmx-users] gmx4.5.4 genion problem: No line with moleculetype 'SOL' found   Justin A. Lemkul
    • [gmx-users] gmx4.5.4 genion problem: No line with moleculetype 'SOL' found   Ye Yang
      • [gmx-users] gmx4.5.4 genion problem: No line with moleculetype 'SOL' found   Justin A. Lemkul
• [gmx-users] Heat Capacity Question   Fabian Casteblanco
• [gmx-users] Including a solvation model after converting from AMBER to GROMACS   Massih Khorvash
• [gmx-users] g_hbond   simon sham
• [gmx-users] g_hbond   chris.neale at utoronto.ca
• [gmx-users] Re: Gromacs error   bharat gupta
• [gmx-users] Re: Gromacs error   Dallas Warren
  • [gmx-users] Re: Gromacs error   bharat gupta
    • Fwd: [gmx-users] Re: Gromacs error   bharat gupta
    • [gmx-users] Re: Gromacs error   Mark Abraham
      • [gmx-users] Re: Gromacs error   bharat gupta
      • [gmx-users] Re: Gromacs error   Mark Abraham
• [gmx-users] load imbalance   E. Nihal Korkmaz
  • [gmx-users] load imbalance   Mark Abraham
    • [gmx-users] load imbalance   E. Nihal Korkmaz
      • [gmx-users] load imbalance   Justin A. Lemkul
      • [gmx-users] load imbalance   Mark Abraham
• [gmx-users] monitoring the water molecules   Ramachandran G
  • [gmx-users] monitoring the water molecules   Mark Abraham
• [gmx-users] cross correlations   E. Nihal Korkmaz
  • [gmx-users] cross correlations   Alexey Shvetsov
    • [gmx-users] cross correlations   Tsjerk Wassenaar
      • [gmx-users] cross correlations   Alexey Shvetsov
      • [gmx-users] cross correlations   Tsjerk Wassenaar
      • [gmx-users] cross correlations   bipin singh
      • [gmx-users] cross correlations   Tsjerk Wassenaar
      • [gmx-users] cross correlations   bipin singh
      • [gmx-users] cross correlations   bipin singh
      • [gmx-users] cross correlations   Tsjerk Wassenaar
• [gmx-users] What does it mean by saying mca: base: component_find: unable to open....   xiaowu759
  • [gmx-users] What does it mean by saying mca: base: component_find: unable to open....   Mark Abraham
• [gmx-users] Invitation to connect on LinkedIn   Gideon Lapidoth via LinkedIn
• [gmx-users] cyclic peptide on GROMACS compatoble with Charmm (all-atom) force field   udaya kiran marelli
  • [gmx-users] cyclic peptide on GROMACS compatoble with Charmm (all-atom) force field   Mark Abraham
• [gmx-users] gmx4.5.4 genion problem: No line with moleculetype 'SOL' found   chris.neale at utoronto.ca
• [gmx-users] local pressure v4.5 issues   Amit Choubey
  • [gmx-users] Re: local pressure v4.5 issues   Amit Choubey
• [gmx-users] standard deviation about rmsd and rmsf values   shahab shariati
  • [gmx-users] standard deviation about rmsd and rmsf values   Francesco Oteri
• [gmx-users] is lincs used with virtual hydrogens?   chris.neale at utoronto.ca
  • [gmx-users] is lincs used with virtual hydrogens?   Mark Abraham
• [gmx-users] is lincs used with virtual hydrogens?   Roland Schulz
• [gmx-users] is lincs used with virtual hydrogens?   chris.neale at utoronto.ca
• [gmx-users] is lincs used with virtual hydrogens?   Roland Schulz
  • [gmx-users] is lincs used with virtual hydrogens?   Mark Abraham
• [gmx-users] standard deviation about rmsd and rmsf values   Tsjerk Wassenaar
• [gmx-users] need tip3p.gro for charmm force field   sreelakshmi ramesh
  • [gmx-users] need tip3p.gro for charmm force field   Mark Abraham
• [gmx-users] Windows 7   Chathurika Abeyrathne
  • [gmx-users] Windows 7   Mark Abraham
• [gmx-users] reg g_hbond   vidhya sankar
  • [gmx-users] reg g_hbond   Mark Abraham
• [gmx-users] is lincs used with virtual hydrogens?   chris.neale at utoronto.ca
  • [gmx-users] is lincs used with virtual hydrogens?   Mark Abraham
• [gmx-users] is lincs used with virtual hydrogens?   chris.neale at utoronto.ca
• [gmx-users] LINCS WARNING relative constraint deviation   E. Nihal Korkmaz
  • [gmx-users] Re: LINCS WARNING relative constraint deviation   E. Nihal Korkmaz
    • [gmx-users] Re: LINCS WARNING relative constraint deviation   Mark Abraham
      • [gmx-users] Re: LINCS WARNING relative constraint deviation   E. Nihal Korkmaz
      • [gmx-users] Re: LINCS WARNING relative constraint deviation   Mark Abraham
• [gmx-users] minimum image violation   Kavyashree M
  • [gmx-users] minimum image violation   Justin A. Lemkul
    • [gmx-users] minimum image violation   Kavyashree M
      • [gmx-users] minimum image violation   Mark Abraham
• [gmx-users] Problem in followin MARTINI tutorial   Naba
  • [gmx-users] Problem in followin MARTINI tutorial   XAvier Periole
• [gmx-users] convergence   Gavin Melaugh
  • [gmx-users] Re: convergence   Gavin Melaugh
    • [gmx-users] Generation of configurations for Umbrella Sampling   Rebeca García Fandiño
• [gmx-users] radius of gyration - compactness   shahab shariati
  • [gmx-users] radius of gyration - compactness   Tsjerk Wassenaar
• [gmx-users] error bars g_wham   Gavin Melaugh
  • [gmx-users] error bars g_wham   Justin A. Lemkul
  • [gmx-users] error bars g_wham   Jochen Hub
• [gmx-users] adius of gyration - compactness   shahab shariati
  • [gmx-users] adius of gyration - compactness   Tsjerk Wassenaar
• [gmx-users] radius of gyration - compactness - accessible surface area   shahab shariati
• [gmx-users] Fwd: Parallellization problem   Nuria Alegret
  • [gmx-users] Fwd: Parallellization problem   Matthew Zwier
• [gmx-users] cyclic peptide on GROMACS compatoble with Charmm (all-atom) force field   udaya kiran marelli
• [gmx-users] NVT equilibration of DMSO solvent (Charmm all-atom force field)   udaya kiran marelli
  • [gmx-users] NVT equilibration of DMSO solvent (Charmm all-atom force field)   Mark Abraham
• [gmx-users] EM broke protein-lipid system   Du Jiangfeng (BIOCH)
  • [gmx-users] EM broke protein-lipid system   Mark Abraham
• [gmx-users] Re: doubt about your Umbrella Sampling tutorial   Justin A. Lemkul
  • [gmx-users] restraints in PMF (Justin's tutorial)   Rebeca García Fandiño
    • [gmx-users] restraints in PMF (Justin's tutorial)   Justin A. Lemkul
      • [gmx-users] restraints in PMF (Justin's tutorial)   Rebeca García Fandiño
• [gmx-users] NMR chemical shift restraints   Thomas Evangelidis
  • [gmx-users] NMR chemical shift restraints   Mark Abraham
• [gmx-users] Re: Increase in charge after adding the ligand   bharat gupta
  • [gmx-users] Re: Increase in charge after adding the ligand   Mark Abraham
• [gmx-users] Re: Increase in charge after adding the ligand   Dallas Warren
  • [gmx-users] Re: Increase in charge after adding the ligand   bharat gupta
• [gmx-users] Re: Error during executing the protein ligand tutorial   bharat gupta
  • [gmx-users] Re: Error during executing the protein ligand tutorial   Justin A. Lemkul
    • [gmx-users] Re: Error during executing the protein ligand tutorial   bharat gupta
      • [gmx-users] Re: Error during executing the protein ligand tutorial   Mark Abraham
      • [gmx-users] Re: Error during executing the protein ligand tutorial   bharat gupta
      • [gmx-users] Re: Error during executing the protein ligand tutorial   Mark Abraham
      • [gmx-users] Re: Error during executing the protein ligand tutorial   bharat gupta
      • [gmx-users] Re: Error during executing the protein ligand tutorial   bharat gupta
      • [gmx-users] Re: Error during executing the protein ligand tutorial   Mark Abraham
      • [gmx-users] Re: Error during executing the protein ligand tutorial   Mark Abraham
• [gmx-users] Re: Increase in charge after adding the ligand   Dallas Warren
• [gmx-users] radius of gyration - compactness - accessible surface area   shahab shariati
  • [gmx-users] radius of gyration - compactness - accessible surface area   Tsjerk Wassenaar
• [gmx-users] implicit solvent system set up   E. Nihal Korkmaz
  • [gmx-users] implicit solvent system set up   Justin A. Lemkul
• [gmx-users] cosine content   Kavyashree M
• [gmx-users] How to calculate RMSD per residue with Gromacs ?   Chih-Ying Lin
  • [gmx-users] How to calculate RMSD per residue with Gromacs ?   Justin A. Lemkul
• [gmx-users] radius of gyration - compactness - accessible surface area   shahab shariati
  • [gmx-users] radius of gyration - compactness - accessible surface area   Tsjerk Wassenaar
• [gmx-users] xvg plotting   Nicole Varvarigou
  • [gmx-users] xvg plotting   Mark Abraham
• [gmx-users] xvg plotting   leila karami
• [gmx-users] PMF analysis and pull_dim (Step 6 of Justin's tutorial)   Shay Teaching
  • [gmx-users] PMF analysis and pull_dim (Step 6 of Justin's tutorial)   Justin A. Lemkul
    • [gmx-users] PMF analysis and pull_dim (Step 6 of Justin's tutorial)   Shay Teaching
    • [gmx-users] g_msd uncertainty   Ivan Gladich
• [gmx-users] query regarding g_ras command   rashi parihar
  • [gmx-users] query regarding g_ras command   Justin A. Lemkul
    • [gmx-users] query regarding g_ras command   rashi parihar
      • [gmx-users] query regarding g_ras command   Justin A. Lemkul
• [gmx-users] Re: local pressure v4.5 issues   Amit Choubey
  • [gmx-users] Re: local pressure v4.5 issues   Jianguo Li
• [gmx-users] Fw: properdihedrals   Prema Awati
• [gmx-users] Re: Fw: properdihedrals   Dr. Vitaly V. Chaban
• [gmx-users] classic Ewald pressure tensor   Elizabeth Ploetz
• [gmx-users] Programs to add residues   Zack Scholl
• [gmx-users] Programs to add residues   Chris Neale
  • [gmx-users] Programs to add residues   Michael Lerner
• [gmx-users] Autocorrelation of dipole moment   Chathurika Abeyrathne
  • [gmx-users] Autocorrelation of dipole moment   André Farias de Moura
    • [gmx-users] Autocorrelation of dipole moment   Chathurika Abeyrathne
      • [gmx-users] Autocorrelation of dipole moment   André Farias de Moura
• [gmx-users] xvg plotting   Dallas Warren
  • [gmx-users] xvg plotting   andrea spitaleri
• [gmx-users] How to set proper temperature and pressure coupling parameters, especially when using solvents other than water?   xiaodong huang
  • [gmx-users] How to set proper temperature and pressure coupling parameters, especially when using solvents other than water?   Justin A. Lemkul
    • [gmx-users] How to set proper temperature and pressure coupling parameters, especially when using solvents other than water?   xiaodong huang
      • [gmx-users] How to set proper temperature and pressure coupling parameters, especially when using solvents other than water?   Mark Abraham
      • [gmx-users] How to set proper temperature and pressure coupling parameters, especially when using solvents other than water?   Justin A. Lemkul
• [gmx-users] PMF and appending simulation: -pf and -px flags (gromacs 4.0.7)   Shay Teaching
  • [gmx-users] PMF and appending simulation: -pf and -px flags (gromacs 4.0.7)   Justin A. Lemkul
• [gmx-users] DPPC temperatur setting   marco miele
  • [gmx-users] DPPC temperatur setting   Justin A. Lemkul
• [gmx-users] in preparation for 4.5.5 and 4.6 releases   Rossen Apostolov
• [gmx-users] plateau in msd (glass transition); ref_t   Anja Kuhnhold
• [gmx-users] Re: Re:NVT equilibration of DMSO solvent (Charmm all-atom force field)   udaya kiran marelli
  • [gmx-users] Re: Re:NVT equilibration of DMSO solvent (Charmm all-atom force field)   Justin A. Lemkul
• [gmx-users] restraints in PMF (Justin's tutorial)   Justin A. Lemkul
  • [gmx-users] restraints in PMF (Justin's tutorial)   Rebeca García Fandiño
• [gmx-users] restraints in PMF (Justin's tutorial)   chris.neale at utoronto.ca
• [gmx-users] Re: gmx-users Digest, Vol 86, Issue 138   marco miele
  • [gmx-users] DPPC temperatur setting   Justin A. Lemkul
• [gmx-users] Timing variability   chris.neale at utoronto.ca
  • [gmx-users] Timing variability   Mark Abraham
• [gmx-users] Trajectory and ED - (not old question again)   Kavyashree M
  • [gmx-users] Re: Trajectory and ED - (not old question again)   Kavyashree M
    • [gmx-users] Re: Trajectory and ED - (not old question again)   Tsjerk Wassenaar
      • [gmx-users] Re: Trajectory and ED - (not old question again)   Kavyashree M
      • [gmx-users] Re: Trajectory and ED - (not old question again)   Kavyashree M
      • [gmx-users] Re: Trajectory and ED - (not old question again)   Tsjerk Wassenaar
      • [gmx-users] Re: Trajectory and ED - (not old question again)   Kavyashree M
      • [gmx-users] Re: Trajectory and ED - (not old question again)   Tsjerk Wassenaar
      • [gmx-users] Re: Trajectory and ED - (not old question again)   Kavyashree M
• [gmx-users]Question about reduced unit for coarse grain   Ye Yang
  • [gmx-users]Question about reduced unit for coarse grain   Ye Yang
  • [gmx-users]Question about reduced unit for coarse grain   Yang Ye
    • [gmx-users]Question about reduced unit for coarse grain   Ye Yang
      • [gmx-users]Question about reduced unit for coarse grain   Mark Abraham
      • [gmx-users]Question about reduced unit for coarse grain   Ye Yang
      • [gmx-users]Question about reduced unit for coarse grain   Justin A. Lemkul
      • [gmx-users]Question about reduced unit for coarse grain   Ye Yang
      • [gmx-users]Question about reduced unit for coarse grain   Justin A. Lemkul
      • [gmx-users]Question about reduced unit for coarse grain   Ye Yang
• [gmx-users] Relaxed frozen groups   Zack Scholl
  • [gmx-users] Relaxed frozen groups   Justin A. Lemkul
• [gmx-users] T->A mutation for a dimer protein   yaolisha at msu.edu
  • [gmx-users] T->A mutation for a dimer protein   Mark Abraham
• [gmx-users] T->A mutation for a dimer protein   chris.neale at utoronto.ca
• [gmx-users] Fw: properdihedrals   Emanuel Birru
• [gmx-users] Re: T->A mutation for a dimer protein   Lishan Yao
  • [gmx-users] Re: T->A mutation for a dimer protein   Mark Abraham
• [gmx-users] Box-dimensions -g_energy_output   Kavyashree M
  • [gmx-users] Box-dimensions -g_energy_output   Mark Abraham
  • [gmx-users] Re: Box-dimensions -g_energy_output   Kavyashree M
    • [gmx-users] Re: Box-dimensions -g_energy_output   Justin A. Lemkul
      • [gmx-users] Re: Box-dimensions -g_energy_output   Kavyashree M
      • [gmx-users] Re: Box-dimensions -g_energy_output   Justin A. Lemkul
      • [gmx-users] Re: Box-dimensions -g_energy_output   Kavyashree M
      • [gmx-users] Re: Box-dimensions -g_energy_output   Justin A. Lemkul
      • [gmx-users] Re: Box-dimensions -g_energy_output   Kavyashree M
      • [gmx-users] Re: Box-dimensions -g_energy_output   Kavyashree M
      • [gmx-users] Re: Box-dimensions -g_energy_output   Justin A. Lemkul
      • [gmx-users] Re: Box-dimensions -g_energy_output   Kavyashree M
      • [gmx-users] Re: Box-dimensions -g_energy_output   Justin A. Lemkul
• [gmx-users] Re: gmx-users Digest, Vol 86, Issue 143   marco miele
  • [gmx-users] DPPC temperatur setting   Justin A. Lemkul
• [gmx-users] Regarding ffG43a1p force field   bharat gupta
  • [gmx-users] Regarding ffG43a1p force field   Ramachandran G
    • [gmx-users] Regarding ffG43a1p force field   bharat gupta
      • [gmx-users] Regarding ffG43a1p force field   Ramachandran G
      • [gmx-users] Regarding ffG43a1p force field   bharat gupta
      • [gmx-users] Regarding ffG43a1p force field   Ramachandran G
      • [gmx-users] Regarding ffG43a1p force field   bharat gupta
      • [gmx-users] Regarding ffG43a1p force field   Ramachandran G
      • [gmx-users] Regarding ffG43a1p force field   Ramachandran G
      • [gmx-users] Regarding ffG43a1p force field   Ramachandran G
      • [gmx-users] Regarding ffG43a1p force field   bharat gupta
      • [gmx-users] Regarding ffG43a1p force field   Ramachandran G
      • [gmx-users] Regarding ffG43a1p force field   bharat gupta
      • [gmx-users] Regarding ffG43a1p force field   Ramachandran G
      • [gmx-users] Regarding ffG43a1p force field   bharat gupta
  • [gmx-users] Fwd: Regarding ffG43a1p force field   bharat gupta
• [gmx-users] Re: Re: T->A mutation for a dimer protein   Lishan Yao
  • [gmx-users] Re: Re: T->A mutation for a dimer protein   Mark Abraham
• [gmx-users] Re: Gromacs Query.   Justin A. Lemkul
• [gmx-users] plateau in msd (glass transition); ref_t   Anja Kuhnhold
  • [gmx-users] plateau in msd (glass transition); ref_t   Lutz Maibaum
• [gmx-users] Re: Relaxed frozen groups   Zack Scholl
  • [gmx-users] Re: Relaxed frozen groups   Justin A. Lemkul
• [gmx-users] pulling code   Adam Herbst
• [gmx-users] pdb2gmx Could not find force field, when using -ff commandline parameter   Keith Callenberg
  • [gmx-users] pdb2gmx Could not find force field, when using -ff commandline parameter   Justin A. Lemkul
• [gmx-users] Re: Re: Re: T->A mutation for a dimer protein   Lishan Yao
• [gmx-users] Re: 1-4 cut off error during EM   bharat gupta
  • [gmx-users] Re: 1-4 cut off error during EM   Justin A. Lemkul
    • [gmx-users] Re: 1-4 cut off error during EM   bharat gupta
      • [gmx-users] Re: 1-4 cut off error during EM   Justin A. Lemkul
      • [gmx-users] Re: 1-4 cut off error during EM   bharat gupta
• [gmx-users] dipole-dipole interaction energy   Sanku M
• [gmx-users] required topology stuff modification for GBSA   Makoto Yoneya
  • [gmx-users] required topology stuff modification for GBSA   Mark Abraham
• [gmx-users] Installation of gromacs-gpu on windows   Андрей Гончар
  • [gmx-users] Installation of gromacs-gpu on windows   Szilárd Páll
• [gmx-users] lattice Coulomb energy between energy groups   Gavin Melaugh
  • [gmx-users] lattice Coulomb energy between energy groups   Justin A. Lemkul
    • [gmx-users] lattice Coulomb energy between energy groups   Gavin Melaugh
      • [gmx-users] lattice Coulomb energy between energy groups   Justin A. Lemkul
• [gmx-users] Regarding g_dist -dist option   bipin singh
  • [gmx-users] Regarding g_dist -dist option   Justin A. Lemkul
  • [gmx-users] Regarding g_dist -dist option   shivangi nangia
    • [gmx-users] Regarding g_dist -dist option   bipin singh
• [gmx-users] pulling code   chris.neale at utoronto.ca
• [gmx-users] ED - Projecting on an eigenvector   Kavyashree M
  • [gmx-users] ED - Projecting on an eigenvector   Tsjerk Wassenaar
    • [gmx-users] ED - Projecting on an eigenvector   Sarath Chandra Dantu
      • [gmx-users] ED - Projecting on an eigenvector   Kavyashree M
    • [gmx-users] ED - Projecting on an eigenvector   Kavyashree M
• [gmx-users] required topology stuff modification for GBSA   Makoto Yoneya
• [gmx-users] About the %SS values in the output of do_dssp   sa
  • [gmx-users] About the %SS values in the output of do_dssp   Justin A. Lemkul
• [gmx-users] extended deadline to July 1st: call for papers: IEEE eScience2011 Workshop on “Computing Advances in Life Sciences”   Rossen Apostolov
• [gmx-users] Simulation of Primed DNA   raghav singh
  • [gmx-users] Simulation of Primed DNA   Justin A. Lemkul
• [gmx-users] Periodic Images - clarification   Kavyashree M
  • [gmx-users] Periodic Images - clarification   Justin A. Lemkul
    • [gmx-users] Periodic Images - clarification   Kavyashree M
      • [gmx-users] Periodic Images - clarification   Justin A. Lemkul
      • [gmx-users] Periodic Images - clarification   Tsjerk Wassenaar
      • [gmx-users] Periodic Images - clarification   Kavyashree M
      • [gmx-users] Periodic Images - clarification   Tsjerk Wassenaar
      • [gmx-users] Periodic Images - clarification   Kavyashree M
      • [gmx-users] Periodic Images - clarification   Kavyashree M
• [gmx-users] (no subject)   arezoo rahmanpour
  • [gmx-users] (no subject)   Justin A. Lemkul
• [gmx-users] print inter and intra energy   balaji nagarajan
  • [gmx-users] print inter and intra energy   Justin A. Lemkul
• [gmx-users] gromacs 2.1   chris.neale at utoronto.ca
  • [gmx-users] gromacs 2.1   chris.neale at utoronto.ca
  • [gmx-users] gromacs 2.1   Bogdan Costescu
• [gmx-users] Invitation to connect on LinkedIn   Zhao Lifeng via LinkedIn
• [gmx-users] placing dihedral constraints   Mr Bernard Ramos
  • [gmx-users] placing dihedral constraints   Mark Abraham
• [gmx-users] about periodic images violation   Anna Marabotti
  • [gmx-users] about periodic images violation   Tsjerk Wassenaar
• [gmx-users] missing topology file adn creating a new one   sreelakshmi ramesh
  • [gmx-users] missing topology file adn creating a new one   Justin A. Lemkul
• [gmx-users] g_msd bug   Sławomir Stachura
  • [gmx-users] g_msd bug   Tsjerk Wassenaar
    • [gmx-users] g_msd bug   Sławomir Stachura
      • [gmx-users] g_msd bug   Mark Abraham
• [gmx-users] Comparing MD ensembles with exp. NOE restraints --> bus error   Thereza Soares
  • [gmx-users] Comparing MD ensembles with exp. NOE restraints --> bus error   Justin A. Lemkul
• [gmx-users] Regarding NPT Eq.   Ravi Kumar Venkatraman
  • [gmx-users] Regarding NPT Eq.   Javier Cerezo
• [gmx-users] g_msd bug   chris.neale at utoronto.ca
  • [gmx-users] g_msd bug   Sławomir Stachura
• [gmx-users] minimization problem   politr at fh.huji.ac.il
• [gmx-users] minimization problem (Martini simulation)   politr at fh.huji.ac.il
  • [gmx-users] minimization problem (Martini simulation)   Justin A. Lemkul
    • [gmx-users] minimization problem (Martini simulation)   politr at fh.huji.ac.il
      • [gmx-users] minimization problem (Martini simulation)   Justin A. Lemkul
      • [gmx-users] minimization problem (Martini simulation)   politr at fh.huji.ac.il
• [gmx-users] g_covar : segmentation fault   Poojari, Chetan
  • [gmx-users] g_covar : segmentation fault   Justin A. Lemkul
• [gmx-users] Re: gmx-users Digest, Vol 86, Issue 183   Thereza Soares
• [gmx-users] The RMSD of a metal ion   simon sham
  • [gmx-users] The RMSD of a metal ion   Justin A. Lemkul
• [gmx-users] pull direction of steered MD in Gromacs   Tom
  • [gmx-users] pull direction of steered MD in Gromacs   Justin A. Lemkul
• [gmx-users] required topology stuff modification for GBSA   Makoto Yoneya
• [gmx-users] Re: About the %SS values in the output of do_dssp   sa
• [gmx-users] R: gmx-users Digest, Vol 86, Issue 183   Anna Marabotti
  • [gmx-users] R: gmx-users Digest, Vol 86, Issue 183   Mark Abraham
• [gmx-users] about periodic image violations   Anna Marabotti
  • [gmx-users] about periodic image violations   Justin A. Lemkul
• [gmx-users] Broken protein chain.   Kavyashree M
  • [gmx-users] Broken protein chain.   Justin A. Lemkul
    • [gmx-users] Broken protein chain.   Kavyashree M
• [gmx-users] Tabulated potential for metal-oxide   manana koberidze
  • [gmx-users] Tabulated potential for metal-oxide   Mark Abraham
• [gmx-users] force on protein by solvent   SebastianWaltz
• [gmx-users] How to protonate a gmx trajectory?   Yun Shi
  • [gmx-users] How to protonate a gmx trajectory?   Justin A. Lemkul
• [gmx-users] reg ionic strngth   vidhya sankar
  • [gmx-users] reg ionic strngth   Justin A. Lemkul
• [gmx-users] Iusses while converting a POPE pdb with pdb2gmx and ff charmm27   Kalavera at gmx.net
  • [gmx-users] Iusses while converting a POPE pdb with pdb2gmx and ff charmm27   Justin A. Lemkul
    • [gmx-users] Iusses while converting a POPE pdb with pdb2gmx and ff charmm27   Leonhard Henkes
      • [gmx-users] Iusses while converting a POPE pdb with pdb2gmx and ff charmm27   Justin A. Lemkul
    • [gmx-users] Iusses while converting a POPE pdb with pdb2gmx and ff charmm27   Leonhard Henkes
• [gmx-users] building a new molecule which does not exist in gmx data base   shivangi nangia
  • [gmx-users] building a new molecule which does not exist in gmx data base   Justin A. Lemkul
• [gmx-users] Directional Thermostat in GROMACS   Apoorv Kalyankar
  • [gmx-users] Directional Thermostat in GROMACS   Mark Abraham
• [gmx-users] trjorder and index   Sanku M
  • [gmx-users] trjorder and index   Justin A. Lemkul
• [gmx-users] converting psf file to gromacs .itp file   bharat gupta
  • [gmx-users] converting psf file to gromacs .itp file   Justin A. Lemkul
• [gmx-users] Running Lyz in water   Ravi Kumar Venkatraman
  • [gmx-users] Running Lyz in water   Mark Abraham
  • [gmx-users] Re: Running Lyz in water   Ravi Kumar Venkatraman
    • [gmx-users] Re: Running Lyz in water   Justin A. Lemkul
• [gmx-users] implicit solvent and generic interaction   Makoto Yoneya
• [gmx-users] Re:Re: Tabulated potential for metal-oxide (Mark Abraham)   manana koberidze
  • [gmx-users] Re:Re: Tabulated potential for metal-oxide (Mark Abraham)   Mark Abraham
• [gmx-users] error in running pdb2gmx command   rashi parihar
  • [gmx-users] error in running pdb2gmx command   Justin A. Lemkul
    • [gmx-users] error in running pdb2gmx command   rashi parihar
      • [gmx-users] error in running pdb2gmx command   Mark Abraham
• [gmx-users] protonated histidine with Martini   politr at fh.huji.ac.il
• [gmx-users] Question about g_bar output   Warren Gallin
  • [gmx-users] Question about g_bar output   Justin A. Lemkul
    • [gmx-users] Question about g_bar output   Warren Gallin
      • [gmx-users] Question about g_bar output   Justin A. Lemkul
• [gmx-users] CPHMD in GROMACS4.5   Anirban Ghosh
  • [gmx-users] CPHMD in GROMACS4.5   Mark Abraham
• [gmx-users] micelle clustering   sulatha M. S
  • [gmx-users] micelle clustering   gregory megariotis
    • [gmx-users] micelle clustering   Tsjerk Wassenaar
• [gmx-users] umbrella sampling pull_group0 adn pull_group1   sreelakshmi ramesh
  • [gmx-users] umbrella sampling pull_group0 adn pull_group1   Shay Teaching
• [gmx-users] the effect of the ligand on each residue   ahmet yıldırım
  • [gmx-users] the effect of the ligand on each residue   Justin A. Lemkul
    • [gmx-users] the effect of the ligand on each residue   ahmet yıldırım
      • [gmx-users] the effect of the ligand on each residue   Justin A. Lemkul
• [gmx-users] Regarding PDB file   Ravi Kumar Venkatraman
  • [gmx-users] Regarding PDB file   Justin A. Lemkul
• [gmx-users] rerun confusion   SebastianWaltz
• [gmx-users] pdb2gmx   simon sham
  • [gmx-users] pdb2gmx   Tsjerk Wassenaar
• [gmx-users] Calculate distance between two atoms   Amjad Farooq
  • [gmx-users] Calculate distance between two atoms   Justin A. Lemkul
• [gmx-users] g_velacc   Nilesh Dhumal

Last message date: Thu Jun 30 20:20:52 CEST 2011
Archived on: Thu Nov 14 12:11:08 CET 2013

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