May 2015 Archives by thread

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Starting: Fri May 1 01:35:43 CEST 2015
Ending: Sun May 31 22:17:11 CEST 2015
Messages: 851

• [gmx-users] 회신: Re: Generating topology file containing HYP   sangeunjee
  • [gmx-users] 회신: Re: Generating topology file containing HYP   Ming Tang
• [gmx-users] How to use pdb2gmx be used to convert PRO to HYP?   Ming Tang
• [gmx-users] How to use pdb2gmx be used to convert PRO to HYP?   Ming Tang
• [gmx-users] Reference of the algorithm gromos in g_cluster   Antonio De Nicola
  • [gmx-users] Reference of the algorithm gromos in g_cluster   João M. Damas
• [gmx-users] Heme params for amber99sb-star-ildn   Abelak, Kavin
• [gmx-users] Secondary Structure Restraints: martinize.py   shivangi nangia
  • [gmx-users] Secondary Structure Restraints: martinize.py   Tsjerk Wassenaar
    • [gmx-users] Secondary Structure Restraints: martinize.py   shivangi nangia
      • [gmx-users] Secondary Structure Restraints: martinize.py   Tsjerk Wassenaar
      • [gmx-users] Secondary Structure Restraints: martinize.py   shivangi nangia
• [gmx-users] g_hbond never shows hbond with HW2   Ebert Maximilian
  • [gmx-users] g_hbond never shows hbond with HW2   Justin Lemkul
    • [gmx-users] g_hbond never shows hbond with HW2   Ebert Maximilian
• [gmx-users] Problem in installation   Zhe Liu
  • [gmx-users] Problem in installation   Mark Abraham
• [gmx-users] decoupling two molecules as one group upon free energy calculation   V.V.Chaban
  • [gmx-users] decoupling two molecules as one group upon free energy calculation   Justin Lemkul
• [gmx-users] Supercritical CO2   V.V.Chaban
  • [gmx-users] Supercritical CO2   Alex
    • [gmx-users] Supercritical CO2   V.V.Chaban
      • [gmx-users] Supercritical CO2   Alex
      • [gmx-users] Supercritical CO2   V.V.Chaban
      • [gmx-users] Supercritical CO2   Alex
      • [gmx-users] Supercritical CO2   Jarrett Lee Wise
      • [gmx-users] Supercritical CO2   Alex
• [gmx-users] Protein fragments during production simulation   SAPNA BORAH
• [gmx-users] Problem in installation   mahender singh
• [gmx-users] Justin biphasic tutorial with controlled adsoption of protein   James Lord
  • [gmx-users] Justin biphasic tutorial with controlled adsoption of protein   Justin Lemkul
    • [gmx-users] Justin biphasic tutorial with controlled adsoption of protein   James Lord
      • [gmx-users] Justin biphasic tutorial with controlled adsoption of protein   Justin Lemkul
      • [gmx-users] Justin biphasic tutorial with controlled adsoption of protein   James Lord
      • [gmx-users] Justin biphasic tutorial with controlled adsoption of protein   Justin Lemkul
• [gmx-users] NMA in gromacs   rajan kumar choudhary
• [gmx-users] Giving an initial velocity to a group of atoms   Jashimuddin Ashraf
  • [gmx-users] Giving an initial velocity to a group of atoms   Justin Lemkul
    • [gmx-users] Giving an initial velocity to a group of atoms   Jashimuddin Ashraf
      • [gmx-users] Giving an initial velocity to a group of atoms   Justin Lemkul
      • [gmx-users] Giving an initial velocity to a group of atoms   Jashimuddin Ashraf
      • [gmx-users] Giving an initial velocity to a group of atoms   Justin Lemkul
• [gmx-users] umbrella sampling and PMF calculation by using pull-geometry=direction in gromacs 5.0.4   mahender singh
  • [gmx-users] umbrella sampling and PMF calculation by using pull-geometry=direction in gromacs 5.0.4   Christopher Neale
  • [gmx-users] umbrella sampling and PMF calculation by using pull-geometry=direction in gromacs 5.0.4   Christopher Neale
• [gmx-users] atom freezing during simulation   mah maz
  • [gmx-users] atom freezing during simulation   Justin Lemkul
  • [gmx-users] atom freezing during simulation   mah maz
    • [gmx-users] atom freezing during simulation   Justin Lemkul
• [gmx-users] mail about contact angle   vidhya sankar
  • [gmx-users] mail about contact angle   Justin Lemkul
• [gmx-users] problem of cyggmxpreprocess-6.dll   Swapnil Kate
• [gmx-users] A problem with lipids.hdb file   叶纯
  • [gmx-users] A problem with lipids.hdb file   Justin Lemkul
• [gmx-users] umbrella sampling and PMF calculation by using pull-geometry=direction in gromacs 5.0.4   mahender singh
  • [gmx-users] umbrella sampling and PMF calculation by using pull-geometry=direction in gromacs 5.0.4   mahender singh
    • [gmx-users] umbrella sampling and PMF calculation by using pull-geometry=direction in gromacs 5.0.4   Christopher Neale
• [gmx-users] Re： Re: Problem in installation (Mahender singh and Mark Abraham )   Zhe Liu
• [gmx-users] Grompp error "No default Ryckaert-Bell. types"   Anurag Dobhal
• [gmx-users] Grompp error "No default Ryckaert-Bell. types"   Sasha
• [gmx-users] Grompp error "No default Ryckaert-Bell. types"   Alex
• [gmx-users] Grompp error "No default Ryckaert-Bell. types"   Alex
  • [gmx-users] Grompp error "No default Ryckaert-Bell. types"   Justin Lemkul
    • [gmx-users] Grompp error "No default Ryckaert-Bell. types"   Alex
      • [gmx-users] Grompp error "No default Ryckaert-Bell. types"   Justin Lemkul
      • [gmx-users] Grompp error "No default Ryckaert-Bell. types"   Alex
• [gmx-users] CHARMM36 Termini Topology Incomplete   João Rodrigues
  • [gmx-users] CHARMM36 Termini Topology Incomplete   Jarrett Lee Wise
    • [gmx-users] CHARMM36 Termini Topology Incomplete   Justin Lemkul
  • [gmx-users] CHARMM36 Termini Topology Incomplete   Justin Lemkul
  • [gmx-users] CHARMM36 Termini Topology Incomplete   João Rodrigues
    • [gmx-users] CHARMM36 Termini Topology Incomplete   Justin Lemkul
• [gmx-users] append simulation   Nilesh Dhumal
  • [gmx-users] append simulation   Justin Lemkul
    • [gmx-users] append simulation   Nilesh Dhumal
      • [gmx-users] append simulation   Justin Lemkul
• [gmx-users] umbrella sampling and PMF calculation by using pull-geometry=direction in gromacs 5.0.4   mahender singh
  • [gmx-users] umbrella sampling and PMF calculation by using pull-geometry=direction in gromacs 5.0.4   Christopher Neale
• [gmx-users] no mdrun commend in bin folder   Smart Eagle
• [gmx-users] modelling/adding missing residues in case of Fatal error: Incomplete ring in HIS3   James Lord
  • [gmx-users] modelling/adding missing residues in case of Fatal error: Incomplete ring in HIS3   Justin Lemkul
    • [gmx-users] modelling/adding missing residues in case of Fatal error: Incomplete ring in HIS3   James Lord
      • [gmx-users] modelling/adding missing residues in case of Fatal error: Incomplete ring in HIS3   范聪
      • [gmx-users] modelling/adding missing residues in case of Fatal error: Incomplete ring in HIS3   Justin Lemkul
      • [gmx-users] modelling/adding missing residues in case of Fatal error: Incomplete ring in HIS3   James Lord
      • [gmx-users] modelling/adding missing residues in case of Fatal error: Incomplete ring in HIS3   Justin Lemkul
      • [gmx-users] modelling/adding missing residues in case of Fatal error: Incomplete ring in HIS3   James Lord
• [gmx-users] problem: protein rotate with g_membed tool after freezing   Mahboobe Sadr
• [gmx-users] Epsilon-rf   Maryam Kowsar
  • [gmx-users] Epsilon-rf   Alex
• [gmx-users] Use dihedraltype 4 to allow several multiplicity terms   A. mohammadzadeh
  • [gmx-users] Use dihedraltype 4 to allow several multiplicity terms   Justin Lemkul
    • [gmx-users] Use dihedraltype 4 to allow several multiplicity terms   A. mohammadzadeh
      • [gmx-users] Use dihedraltype 4 to allow several multiplicity terms   Justin Lemkul
      • [gmx-users] Use dihedraltype 4 to allow several multiplicity terms   Justin Lemkul
      • [gmx-users] Use dihedraltype 4 to allow several multiplicity terms   Mark Abraham
      • [gmx-users] Use dihedraltype 4 to allow several multiplicity terms   Justin Lemkul
• [gmx-users] Gas phase simulation   Christopher Neale
  • [gmx-users] Gas phase simulation   gozde ergin
    • [gmx-users] Gas phase simulation   Christopher Neale
      • [gmx-users] Gas phase simulation   gozde ergin
      • [gmx-users] Gas phase simulation   Christopher Neale
      • [gmx-users] Gas phase simulation   gozde ergin
      • [gmx-users] Gas phase simulation   Christopher Neale
      • [gmx-users] Gas phase simulation   gozde ergin
• [gmx-users] question about Error message's meaning for Installation of gromacs 5.0.4   Weilin Zhang
• [gmx-users] mdrun error: There is no domain decomposition for x nodes that is compatible with the given box   Seyed Mojtaba Rezaei Sani
  • [gmx-users] mdrun error: There is no domain decomposition for x nodes that is compatible with the given box   Justin Lemkul
    • [gmx-users] mdrun error: There is no domain decomposition for x nodes that is compatible with the given box   Seyed Mojtaba Rezaei Sani
      • [gmx-users] mdrun error: There is no domain decomposition for x nodes that is compatible with the given box   Mark Abraham
      • [gmx-users] mdrun error: There is no domain decomposition for x nodes that is compatible with the given box   Justin Lemkul
      • [gmx-users] mdrun error: There is no domain decomposition for x nodes that is compatible with the given box   Seyed Mojtaba Rezaei Sani
• [gmx-users] Question about g_membed optimization   Mahboobe Sadr
• [gmx-users] Area/enegy at liquid/liquid interface   James Lord
• [gmx-users] NVT Equilibration error   Agnivo Gosai
  • [gmx-users] NVT Equilibration error   Tsjerk Wassenaar
• [gmx-users] Re : NVT Equilibration error   Agnivo Gosai
  • [gmx-users] Re : NVT Equilibration error   Mark Abraham
• [gmx-users] NVT Equilibration error   Agnivo Gosai
  • [gmx-users] NVT Equilibration error   Justin Lemkul
• [gmx-users] NVT Equilibration error   Agnivo Gosai
  • [gmx-users] NVT Equilibration error   Justin Lemkul
• [gmx-users] Help_Warning1   Tammy
  • [gmx-users] Help_Warning1   Justin Lemkul
• [gmx-users] NVT Equilibration error   Agnivo Gosai
  • [gmx-users] NVT Equilibration error   Justin Lemkul
• [gmx-users] NVT Equilibration error   Agnivo Gosai
  • [gmx-users] NVT Equilibration error   Justin Lemkul
• [gmx-users] 35% Variability in Simulation Performance   Mark Abraham
  • [gmx-users] 35% Variability in Simulation Performance   Christopher Neale
    • [gmx-users] 35% Variability in Simulation Performance   Szilárd Páll
• [gmx-users] Re : NVT Equilibration error   Agnivo Gosai
• [gmx-users] question about g_sas   Tom
  • [gmx-users] question about g_sas   Justin Lemkul
    • [gmx-users] question about g_sas   Christopher Neale
      • [gmx-users] question about g_sas   Justin Lemkul
• [gmx-users] Constraint of active site in gromacs   Raj D
  • [gmx-users] Constraint of active site in gromacs   Justin Lemkul
    • [gmx-users] Constraint of active site in gromacs   Raj D
      • [gmx-users] Constraint of active site in gromacs   Mark Abraham
      • [gmx-users] Constraint of active site in gromacs   Nataraj Balakrishnan
      • [gmx-users] Constraint of active site in gromacs   Raj D
      • [gmx-users] Constraint of active site in gromacs   Justin Lemkul
      • [gmx-users] Constraint of active site in gromacs   Raj D
      • [gmx-users] Constraint of active site in gromacs   Justin Lemkul
      • [gmx-users] Constraint of active site in gromacs   Raj D
• [gmx-users] Pushing the pulled ligand into the binding pocket   Ayesha Fatima
  • [gmx-users] Pushing the pulled ligand into the binding pocket   Justin Lemkul
    • [gmx-users] Fatal error   Urszula Uciechowska
      • [gmx-users] Fatal error   Justin Lemkul
      • [gmx-users] How to run pdb2gmx with -ter flag?   Urszula Uciechowska
      • [gmx-users] How to run pdb2gmx with -ter flag?   Mark Abraham
      • [gmx-users] How to run pdb2gmx with -ter flag?   Urszula Uciechowska
      • [gmx-users] How to run pdb2gmx with -ter flag?   Justin Lemkul
• [gmx-users] TER cards in gromacs   Urszula Uciechowska
  • [gmx-users] TER cards in gromacs   Mark Abraham
• [gmx-users] g_dos   Faezeh Pousaneh
• [gmx-users] Buckingham and Lennard-Jones potentials in the same simulation   Sevasteiadis, Michail
  • [gmx-users] Buckingham and Lennard-Jones potentials in the same simulation   Mark Abraham
    • [gmx-users] Buckingham and Lennard-Jones potentials in the same simulation   Sevasteiadis, Michail
• [gmx-users] Fwd: Delivery Status Notification (Failure)   A. mohammadzadeh
• [gmx-users] on a MD run notice   Brett
  • [gmx-users] on a MD run notice   Justin Lemkul
• [gmx-users] Vacuum simulation in GMX 5   Eudes Fileti
  • [gmx-users] Vacuum simulation in GMX 5   Justin Lemkul
• [gmx-users] gromacs.org_gmx-users Digest, Vol 133, Issue 30   Eudes Fileti
  • [gmx-users] Vacuum simulation in GMX 5   Justin Lemkul
    • [gmx-users] Vacuum simulation in GMX 5   Mark Abraham
• [gmx-users] n2t file format for similar atoms   jwillcox at andrew.cmu.edu
  • [gmx-users] n2t file format for similar atoms   Justin Lemkul
    • [gmx-users] n2t file format for similar atoms   jwillcox at andrew.cmu.edu
• [gmx-users] g_rmsf, mass-weighted residue average   Leandro Bortot
• [gmx-users] Issue with nrexcl (g_rdf related)   João Henriques
  • [gmx-users] Issue with nrexcl (g_rdf related)   João Henriques
• [gmx-users] Bin size for an Umbrella Sampling analysis   Kevin C Chan
• [gmx-users] problem after installation   Kim Jessica Novacek
  • [gmx-users] problem after installation   Mark Abraham
• [gmx-users] Vacuum simulation in GMX 5 (Justin Lemkul)   Eudes Fileti
  • [gmx-users] Vacuum simulation in GMX 5 (Justin Lemkul)   Justin Lemkul
• [gmx-users] gromacs 5.0 tools: gmx distance and gmx mindist time series   oliwias
  • [gmx-users] gromacs 5.0 tools: gmx distance and gmx mindist time series   Mark Abraham
    • [gmx-users] gromacs 5.0 tools: gmx distance and gmx mindist time series   oliwias
      • [gmx-users] gromacs 5.0 tools: gmx distance and gmx mindist time series   Mark Abraham
      • [gmx-users] gromacs 5.0 tools: gmx distance and gmx mindist time series   oliwias
      • [gmx-users] gromacs 5.0 tools: gmx distance and gmx mindist time series   Mark Abraham
• [gmx-users] Vacuum simulation in GMX 5   Eudes Fileti
  • [gmx-users] Vacuum simulation in GMX 5   Justin Lemkul
• [gmx-users] Verlet and Energy Groups   Jarrett Lee Wise
  • [gmx-users] Verlet and Energy Groups   Mark Abraham
• [gmx-users] Gromacs 4.6.7 with MPI and OpenMP   Malcolm Tobias
  • [gmx-users] Gromacs 4.6.7 with MPI and OpenMP   Mark Abraham
    • [gmx-users] Gromacs 4.6.7 with MPI and OpenMP   Malcolm Tobias
      • [gmx-users] Gromacs 4.6.7 with MPI and OpenMP   Mark Abraham
      • [gmx-users] Gromacs 4.6.7 with MPI and OpenMP   Malcolm Tobias
      • [gmx-users] Gromacs 4.6.7 with MPI and OpenMP   Mark Abraham
      • [gmx-users] Gromacs 4.6.7 with MPI and OpenMP   Malcolm Tobias
      • [gmx-users] Gromacs 4.6.7 with MPI and OpenMP   Szilárd Páll
      • [gmx-users] Gromacs 4.6.7 with MPI and OpenMP   Malcolm Tobias
      • [gmx-users] Gromacs 4.6.7 with MPI and OpenMP   Szilárd Páll
      • [gmx-users] Gromacs 4.6.7 with MPI and OpenMP   Malcolm Tobias
      • [gmx-users] Gromacs 4.6.7 with MPI and OpenMP   Szilárd Páll
      • [gmx-users] Gromacs 4.6.7 with MPI and OpenMP   Malcolm Tobias
      • [gmx-users] Gromacs 4.6.7 with MPI and OpenMP   Szilárd Páll
• [gmx-users] Distance Restraints   Steve Seibold
  • [gmx-users] Distance Restraints   Diogo Vila Viçosa
• [gmx-users] gromacs-5.0.4 installation problem   James Lord
  • [gmx-users] gromacs-5.0.4 installation problem   Christopher Neale
    • [gmx-users] gromacs-5.0.4 installation problem   Mark Abraham
      • [gmx-users] gromacs-5.0.4 installation problem   Szilárd Páll
      • [gmx-users] gromacs-5.0.4 installation problem   James Lord
• [gmx-users] gromacs-5.0.4 installation problem   Roland Schulz
  • [gmx-users] gromacs-5.0.4 installation problem   James Lord
• [gmx-users] how to avoid multiple 'aprun' on batch job script?   Satyabrata Das
  • [gmx-users] how to avoid multiple 'aprun' on batch job script?   Justin Lemkul
• [gmx-users] mail about g_select tool   vidhya sankar
• [gmx-users] adding -qstep to g_saxs   CHEN Pan
• [gmx-users] rerun under non-bonded E. terms   Albert Solernou
  • [gmx-users] rerun under non-bonded E. terms   Justin Lemkul
    • [gmx-users] rerun under non-bonded E. terms   Albert Solernou
      • [gmx-users] rerun under non-bonded E. terms   Justin Lemkul
      • [gmx-users] rerun under non-bonded E. terms   Albert Solernou
      • [gmx-users] rerun under non-bonded E. terms   Albert Solernou
      • [gmx-users] rerun under non-bonded E. terms   Justin Lemkul
      • [gmx-users] rerun under non-bonded E. terms   Albert Solernou
      • [gmx-users] rerun under non-bonded E. terms   Justin Lemkul
      • [gmx-users] rerun under non-bonded E. terms   Albert Solernou
      • [gmx-users] rerun under non-bonded E. terms   Justin Lemkul
      • [gmx-users] rerun under non-bonded E. terms   Albert Solernou
      • [gmx-users] rerun under non-bonded E. terms   Mark Abraham
      • [gmx-users] rerun under non-bonded E. terms   Albert Solernou
      • [gmx-users] rerun under non-bonded E. terms   Mark Abraham
      • [gmx-users] rerun under non-bonded E. terms   Albert Solernou
      • [gmx-users] rerun under non-bonded E. terms   Mark Abraham
      • [gmx-users] rerun under non-bonded E. terms   Albert Solernou
• [gmx-users] [pairs] directive issue   Raj D
  • [gmx-users] [pairs] directive issue   Tsjerk Wassenaar
    • [gmx-users] [pairs] directive issue   Raj D
• [gmx-users] Subject: Re: how to avoid multiple 'aprun' on batch job script?   Satyabrata Das
  • [gmx-users] Subject: Re: how to avoid multiple 'aprun' on batch job script?   Christopher Neale
  • [gmx-users] Subject: Re: how to avoid multiple 'aprun' on batch job script?   Mark Abraham
• [gmx-users] mail about g_dipoles   vidhya sankar
• [gmx-users] Harmonic COM Restraints with the Pull Code   Eric Dybeck
  • [gmx-users] Harmonic COM Restraints with the Pull Code   Justin Lemkul
• [gmx-users] Sanjay (Re: Energy minimization problem)   sanjay choubey
  • [gmx-users] Sanjay (Re: Energy minimization problem)   Justin Lemkul
• [gmx-users] Why h_bond can not form   范聪
  • [gmx-users] Why h_bond can not form   Justin Lemkul
    • [gmx-users] Why h_bond can not form   范聪
    • [gmx-users] Why h_bond can not form   范聪
• [gmx-users] HYL force field   Ming Tang
  • [gmx-users] HYL force field   范聪
    • [gmx-users] HYL force field   Ming Tang
      • [gmx-users] HYL force field   Justin Lemkul
      • [gmx-users] HYL force field   Ming Tang
      • [gmx-users] HYL force field   Justin Lemkul
• [gmx-users] first residue in chains warning issue   Ming Tang
  • [gmx-users] first residue in chains warning issue   Justin Lemkul
    • [gmx-users] first residue in chains warning issue   Ming Tang
      • [gmx-users] first residue in chains warning issue   Justin Lemkul
      • [gmx-users] first residue in chains warning issue   Ming Tang
      • [gmx-users] first residue in chains warning issue   Justin Lemkul
      • [gmx-users] first residue in chains warning issue   Ming Tang
      • [gmx-users] first residue in chains warning issue   Ming Tang
      • [gmx-users] first residue in chains warning issue   Justin Lemkul
      • [gmx-users] first residue in chains warning issue   Ming Tang
      • [gmx-users] first residue in chains warning issue   Justin Lemkul
      • [gmx-users] first residue in chains warning issue   Ming Tang
      • [gmx-users] first residue in chains warning issue   Justin Lemkul
      • [gmx-users] first residue in chains warning issue   Ming Tang
      • [gmx-users] first residue in chains warning issue   Justin Lemkul
• [gmx-users] Subject: Re: how to avoid multiple 'aprun' on batch job script?   Satyabrata Das
• [gmx-users] During mdrun my protein moves towards edges   Seera Suryanarayana
  • [gmx-users] During mdrun my protein moves towards edges   Diogo Vila Viçosa
• [gmx-users] implicit solvent concerns   Albert Solernou
  • [gmx-users] implicit solvent concerns   Mark Abraham
    • [gmx-users] implicit solvent concerns   Albert Solernou
• [gmx-users] Subject: Re: how to avoid multiple 'aprun' on batch job script?   Satyabrata Das
  • [gmx-users] Subject: Re: how to avoid multiple 'aprun' on batch job script?   Mark Abraham
• [gmx-users] LINCS warnings and ligand topology   MPI
  • [gmx-users] LINCS warnings and ligand topology   Justin Lemkul
• [gmx-users] question   Andrew Bostick
  • [gmx-users] question   Andrew Bostick
  • [gmx-users] question   Justin Lemkul
• [gmx-users] [PyMOL] how to connect to atoms?   Tsjerk Wassenaar
• [gmx-users] all-atom pca   gromacs query
  • [gmx-users] all-atom pca   Tsjerk Wassenaar
    • [gmx-users] all-atom pca   gromacs query
      • [gmx-users] all-atom pca   Tsjerk Wassenaar
      • [gmx-users] all-atom pca   gromacs query
      • [gmx-users] all-atom pca   Tsjerk Wassenaar
      • [gmx-users] all-atom pca   gromacs query
• [gmx-users] LINCS warnings and ligand topology   MPI
  • [gmx-users] LINCS warnings and ligand topology   Justin Lemkul
• [gmx-users] Dihedral copying from itp to ff   Raj D
  • [gmx-users] Dihedral copying from itp to ff   Justin Lemkul
    • [gmx-users] Dihedral copying from itp to ff   Raj D
      • [gmx-users] Dihedral copying from itp to ff   Mark Abraham
      • [gmx-users] Dihedral copying from itp to ff   Raj D
      • [gmx-users] Dihedral copying from itp to ff   Mark Abraham
      • [gmx-users] Dihedral copying from itp to ff   Raj D
      • [gmx-users] Dihedral copying from itp to ff   Raj D
• [gmx-users] question   Andrew Bostick
  • [gmx-users] question   Justin Lemkul
• [gmx-users] How to remove the water molecules?   Seera Suryanarayana
  • [gmx-users] How to remove the water molecules?   Tsjerk Wassenaar
• [gmx-users] Can't load converted trajectory on to vmd   Seera Suryanarayana
  • [gmx-users] Can't load converted trajectory on to vmd   Mark Abraham
• [gmx-users] Gromacs 5.0.4 with Gaussian09 QM/MM interface   Katarzyna Czarnecka
• [gmx-users] Protein+ligand complex   Kashif
  • [gmx-users] Protein+ligand complex   Justin Lemkul
  • [gmx-users] Protein+ligand complex   Kashif
    • [gmx-users] Protein+ligand complex   Justin Lemkul
• [gmx-users] calculating distances in steered dynamics   Ayesha Fatima
• [gmx-users] gmx distance   Ayesha Fatima
  • [gmx-users] gmx distance   Justin Lemkul
• [gmx-users] Martini CG water   Ming Tang
  • [gmx-users] Martini CG water   João Henriques
• [gmx-users] martini issues   Ming Tang
  • [gmx-users] martini issues   João Henriques
    • [gmx-users] martini issues   Tsjerk Wassenaar
      • [gmx-users] martini issues   Ming Tang
• [gmx-users] question   Andrew Bostick
  • [gmx-users] question   Diogo Vila Viçosa
  • [gmx-users] question   Justin Lemkul
• [gmx-users] Insane.py problem   Carlos Navarro Retamal
  • [gmx-users] Insane.py problem   João Henriques
    • [gmx-users] Insane.py problem   Tsjerk Wassenaar
      • [gmx-users] Insane.py problem   Carlos Navarro Retamal
      • [gmx-users] Insane.py problem   João Henriques
      • [gmx-users] Insane.py problem   Carlos Navarro Retamal
      • [gmx-users] Insane.py problem   João Henriques
      • [gmx-users] Insane.py problem   João Henriques
      • [gmx-users] Insane.py problem   Tsjerk Wassenaar
• [gmx-users] Mail reg g_energy tool   vidhya sankar
• [gmx-users] question   Andrew Bostick
  • [gmx-users] question   Justin Lemkul
• [gmx-users] total charge (qtot)   James Lord
  • [gmx-users] total charge (qtot)   Justin Lemkul
    • [gmx-users] total charge (qtot)   James Lord
      • [gmx-users] total charge (qtot)   James Lord
      • [gmx-users] total charge (qtot)   Justin Lemkul
  • [gmx-users] total charge (qtot)   James Lord
• [gmx-users] question   Andrew Bostick
  • [gmx-users] question   Justin Lemkul
• [gmx-users] GROMACS 5.0.5 released   Mark Abraham
• [gmx-users] Hamiltonian replica exchange with solute tempering in 5.x version (bug?)   呂宗諭
  • [gmx-users] Hamiltonian replica exchange with solute tempering in 5.x version (bug?)   Christopher Neale
• [gmx-users] Sanjay (REG: GROMMP ERROR IN MEMBRANE SIMULATION)   sanjay choubey
  • [gmx-users] Sanjay (REG: GROMMP ERROR IN MEMBRANE SIMULATION)   Justin Lemkul
• [gmx-users] PBC "no domain decomposition" error   jwillcox at andrew.cmu.edu
  • [gmx-users] PBC "no domain decomposition" error   Alex
• [gmx-users] Seeking advice on running Gromacs on SDSC's new Comet cluster   Nathan Scott
  • [gmx-users] Seeking advice on running Gromacs on SDSC's new Comet cluster   Mark Abraham
• [gmx-users] PBC "no domain decomposition" error   jwillcox at andrew.cmu.edu
• [gmx-users] gmx distance   Ayesha Fatima
  • [gmx-users] gmx distance   Justin Lemkul
• [gmx-users] Gromacs in UBUNTU   saeed poorasad
  • [gmx-users] Gromacs in UBUNTU   James Lord
    • [gmx-users] Gromacs in UBUNTU   Sanchaita Rajkhowa
      • [gmx-users] Gromacs in UBUNTU   Mark Abraham
      • [gmx-users] Gromacs in UBUNTU   Sanchaita Rajkhowa
      • [gmx-users] Gromacs in UBUNTU   Mark Abraham
      • [gmx-users] Gromacs in UBUNTU   Sanchaita Rajkhowa
      • [gmx-users] Gromacs in UBUNTU   Mark Abraham
      • [gmx-users] Gromacs in UBUNTU   Sanchaita Rajkhowa
      • [gmx-users] Gromacs in UBUNTU   Mark Abraham
      • [gmx-users] Gromacs in UBUNTU   Sanchaita Rajkhowa
      • [gmx-users] Gromacs in UBUNTU   Mark Abraham
      • [gmx-users] Gromacs in UBUNTU   Sanchaita Rajkhowa
• [gmx-users] genion error sol not continuous   James Lord
  • [gmx-users] genion error sol not continuous   Justin Lemkul
    • [gmx-users] genion error sol not continuous   James Lord
      • [gmx-users] genion error sol not continuous   Justin Lemkul
      • [gmx-users] genion error sol not continuous   James Lord
• [gmx-users] Changing Ligand coordinates to top of PDB   Raj D
  • [gmx-users] Changing Ligand coordinates to top of PDB   Justin Lemkul
• [gmx-users] Sanjay (Reg: grompp error)   sanjay choubey
  • [gmx-users] Sanjay (Reg: grompp error)   Justin Lemkul
• [gmx-users] energy minimization problem   Ming Tang
  • [gmx-users] energy minimization problem   Justin Lemkul
    • [gmx-users] energy minimization problem   Ming Tang
      • [gmx-users] energy minimization problem   Justin Lemkul
      • [gmx-users] energy minimization problem   Ming Tang
      • [gmx-users] energy minimization problem   Justin Lemkul
      • [gmx-users] energy minimization problem   Ming Tang
      • [gmx-users] energy minimization problem   Justin Lemkul
      • [gmx-users] energy minimization problem   Ming Tang
      • [gmx-users] energy minimization problem   Justin Lemkul
      • [gmx-users] energy minimization problem   Ming Tang
      • [gmx-users] energy minimization problem   Justin Lemkul
      • [gmx-users] energy minimization problem   Ming Tang
      • [gmx-users] energy minimization problem   Tsjerk Wassenaar
      • [gmx-users] energy minimization problem   Ming Tang
      • [gmx-users] energy minimization problem   Tsjerk Wassenaar
      • [gmx-users] energy minimization problem   Ming Tang
      • [gmx-users] energy minimization problem   Ming Tang
      • [gmx-users] energy minimization problem   Ming Tang
      • [gmx-users] energy minimization problem   Ming Tang
      • [gmx-users] energy minimization problem   Ming Tang
• [gmx-users] gmx distance   Ayesha Fatima
  • [gmx-users] gmx distance   Justin Lemkul
• [gmx-users] Is it reasonable to get a bad Ramachandran plot after MD?   Kevin C Chan
  • [gmx-users] Is it reasonable to get a bad Ramachandran plot after MD?   Justin Lemkul
    • [gmx-users] Is it reasonable to get a bad Ramachandran plot after MD?   Kevin C Chan
      • [gmx-users] Is it reasonable to get a bad Ramachandran plot after MD?   Tsjerk Wassenaar
• [gmx-users] Giving an initial velocity to a group of atoms   Jashimuddin Ashraf
  • [gmx-users] Giving an initial velocity to a group of atoms   Jashimuddin Ashraf
    • [gmx-users] Giving an initial velocity to a group of atoms   Justin Lemkul
      • [gmx-users] Giving an initial velocity to a group of atoms   Jashimuddin Ashraf
      • [gmx-users] Giving an initial velocity to a group of atoms   Mark Abraham
• [gmx-users] freezegrps changing coordinates in NPT simulations   jwillcox at andrew.cmu.edu
  • [gmx-users] freezegrps changing coordinates in NPT simulations   Justin Lemkul
  • [gmx-users] freezegrps changing coordinates in NPT simulations   niexuechuan
• [gmx-users] eigenvalues and eigenvectors with g_cluster   Rebeca García Fandiño
• [gmx-users] question about REMD   Tom
  • [gmx-users] question about REMD   Justin Lemkul
• [gmx-users] Carbon Nanotube `Y-Junctions'   saeed poorasad
  • [gmx-users] Carbon Nanotube `Y-Junctions'   Alex
• [gmx-users] FW: Lincs all-bonds causing instability in otherwise stable system   Cara Kreck
  • [gmx-users] Lincs all-bonds causing instability in otherwise stable system   Cara Kreck
    • [gmx-users] Lincs all-bonds causing instability in otherwise stable system   Cara Kreck
      • [gmx-users] Lincs all-bonds causing instability in otherwise stable system   Mark Abraham
• [gmx-users] CH3CN solvents breaking the periodic box   Debashis Sahu
  • [gmx-users] CH3CN solvents breaking the periodic box   Cara Kreck
    • [gmx-users] CH3CN solvents breaking the periodic box   Debashis Sahu
      • [gmx-users] CH3CN solvents breaking the periodic box   Justin Lemkul
• [gmx-users] gmx dipoles and gmx potential output files detail   mahender singh
• [gmx-users] RMSD distribution calculation using g_cluster   Aritra Bej
• [gmx-users] Sanjay (REg. Grompp error CA ATOM NOT FOUND)   sanjay choubey
  • [gmx-users] Sanjay (REg. Grompp error CA ATOM NOT FOUND)   Justin Lemkul
• [gmx-users] (no subject)   Sivanandam M
• [gmx-users] question   Golnaz Roudsari
  • [gmx-users] question   Alex
    • [gmx-users] question   abhijit Kayal
    • [gmx-users] question   Alex
• [gmx-users] gromacs.org_gmx-users Digest, Vol 133, Issue 87   Golnaz Roudsari
  • [gmx-users] gromacs.org_gmx-users Digest, Vol 133, Issue 87   Alex
• [gmx-users] Error 'Atomtype NTL not found'   Ta-Chou 黃大周
  • [gmx-users] Error 'Atomtype NTL not found'   Justin Lemkul
• [gmx-users] warnings in energy minimization   James Lord
  • [gmx-users] warnings in energy minimization   Justin Lemkul
• [gmx-users] (no subject)   Amin Nowroozi
  • [gmx-users] (no subject)   Szilárd Páll
• [gmx-users] energy minimization error   James Lord
  • [gmx-users] energy minimization error   Justin Lemkul
    • [gmx-users] energy minimization error   James Lord
      • [gmx-users] energy minimization error   Justin Lemkul
• [gmx-users] position restraints   Ming Tang
  • [gmx-users] position restraints   Justin Lemkul
• [gmx-users] question   Andrew Bostick
• [gmx-users] question   Andrew Bostick
  • [gmx-users] question   Tsjerk Wassenaar
• [gmx-users] question   Andrew Bostick
• [gmx-users] question   Andrew Bostick
  • [gmx-users] question   Tsjerk Wassenaar
• [gmx-users] question   Andrew Bostick
  • [gmx-users] question   Justin Lemkul
• [gmx-users] RDF   mah maz
  • [gmx-users] RDF   Justin Lemkul
  • [gmx-users] RDF   mah maz
    • [gmx-users] RDF   Justin Lemkul
    • [gmx-users] RDF   mah maz
      • [gmx-users] RDF   Justin Lemkul
• [gmx-users] question   Andrew Bostick
  • [gmx-users] question   Mark Abraham
• [gmx-users] Simulation of Carbon Nanotubes with bending deformities   Jashimuddin Ashraf
• [gmx-users] no output for rmsd-dist.xvg in g_rms   Rebeca García Fandiño
  • [gmx-users] warter freeze into ice when "cutoff-scheme=Verlet" and "coulombtype = cut-off "   niexuechuan
    • [gmx-users] warter freeze into ice when "cutoff-scheme=Verlet" and "coulombtype = cut-off "   Mark Abraham
• [gmx-users] increasing simulation time via temperature rising   nazli kashani javid
  • [gmx-users] increasing simulation time via temperature rising   Tsjerk Wassenaar
    • [gmx-users] increasing simulation time via temperature rising   massimo sandal
• [gmx-users] Force field parameterization for PAMAM dendrimers   faride badalkhani
  • [gmx-users] Force field parameterization for PAMAM dendrimers   Chandan Choudhury
• [gmx-users] normal mode analysis and system size ...   Michael Brunsteiner
• [gmx-users] position rstraints   soumadwip ghosh
  • [gmx-users] position rstraints   Justin Lemkul
• [gmx-users] Implementing an angle-dependent potential   Wopke Hellinga
• [gmx-users] position resrtraints   soumadwip ghosh
  • [gmx-users] position resrtraints   Justin Lemkul
• [gmx-users] Best way/utility to convert .xtc to .dcd   shivangi nangia
• [gmx-users] mdp options for charmm27 force field in gromacs version 4.6.7   Christopher Neale
  • [gmx-users] mdp options for charmm27 force field in gromacs version 4.6.7   Justin Lemkul
    • [gmx-users] mdp options for charmm27 force field in gromacs version 4.6.7   Christopher Neale
      • [gmx-users] mdp options for charmm27 force field in gromacs version 4.6.7   Piggot T.
      • [gmx-users] mdp options for charmm27 force field in gromacs version 4.6.7   Justin Lemkul
      • [gmx-users] mdp options for charmm27 force field in gromacs version 4.6.7   Piggot T.
      • [gmx-users] mdp options for charmm27 force field in gromacs version 4.6.7   Mark Abraham
      • [gmx-users] mdp options for charmm27 force field in gromacs version 4.6.7   Mark Abraham
      • [gmx-users] mdp options for charmm27 force field in gromacs version 4.6.7   Christopher Neale
• [gmx-users] question   Andrew Bostick
  • [gmx-users] question   Mark Abraham
• [gmx-users] Protein-Ligand complex Implicit simulation   sunita gupta
  • [gmx-users] Protein-Ligand complex Implicit simulation   Justin Lemkul
• [gmx-users] Pulling a periodic molecule (for the third time)   Alex
• [gmx-users] Gromacs Error   manoj damale
  • [gmx-users] Gromacs Error   Tsjerk Wassenaar
• [gmx-users] Gromacs Error   Tsjerk Wassenaar
• [gmx-users] Query   Priya Das
  • [gmx-users] Query   Justin Lemkul
    • [gmx-users] Query   Priya Das
      • [gmx-users] Query   Justin Lemkul
• [gmx-users] Fwd: Re: Gromacs Error   Tsjerk Wassenaar
• [gmx-users] The octahedron problem   Vy Phan
  • [gmx-users] The octahedron problem   Tsjerk Wassenaar
    • [gmx-users] The octahedron problem   Vy Phan
      • [gmx-users] The octahedron problem   Tsjerk Wassenaar
  • [gmx-users] The octahedron problem   Barnett, James W
• [gmx-users] query regarding itp file   soumadwip ghosh
  • [gmx-users] query regarding itp file   Mark Abraham
• [gmx-users] Fwd: Bad performance in free energy calulations   Julian Zachmann
  • [gmx-users] Fwd: Bad performance in free energy calulations   Mark Abraham
  • [gmx-users] Fwd: Bad performance in free energy calulations   Hannes Loeffler
    • [gmx-users] Fwd: Bad performance in free energy calulations   Michael Shirts
      • [gmx-users] Fwd: Bad performance in free energy calulations   Julian Zachmann
      • [gmx-users] Fwd: Bad performance in free energy calulations   Michael Shirts
      • [gmx-users] Fwd: Bad performance in free energy calulations   Hannes Loeffler
      • [gmx-users] Fwd: Bad performance in free energy calulations   Julian Zachmann
      • [gmx-users] Fwd: Bad performance in free energy calulations   Hannes Loeffler
      • [gmx-users] Fwd: Bad performance in free energy calulations   Michael Shirts
      • [gmx-users] Fwd: Bad performance in free energy calulations   Hannes Loeffler
      • [gmx-users] Fwd: Bad performance in free energy calulations   Justin Lemkul
• [gmx-users] Problem control output for checkpoint file   Vy Phan
  • [gmx-users] Problem control output for checkpoint file   Justin Lemkul
    • [gmx-users] Problem control output for checkpoint file   Vy Phan
      • [gmx-users] Problem control output for checkpoint file   Justin Lemkul
      • [gmx-users] Problem control output for checkpoint file   Mark Abraham
      • [gmx-users] Problem control output for checkpoint file   Vy Phan
• [gmx-users] query regarding itp file   soumadwip ghosh
  • [gmx-users] query regarding itp file   Justin Lemkul
• [gmx-users] question   Andrew Bostick
  • [gmx-users] question   Justin Lemkul
• [gmx-users] Compiling GROMACS 5.0.5 on Fujitsu PRIMEHPC FX-10   Duy Tran Phuoc
  • [gmx-users] Compiling GROMACS 5.0.5 on Fujitsu PRIMEHPC FX-10   Mark Abraham
• [gmx-users] g_clustsize   pratibha kapoor
  • [gmx-users] g_clustsize   Mark Abraham
  • [gmx-users] g_clustsize   pratibha kapoor
    • [gmx-users] g_clustsize   Mark Abraham
    • [gmx-users] g_clustsize   pratibha kapoor
      • [gmx-users] g_clustsize   Mark Abraham
• [gmx-users] question   Andrew Bostick
  • [gmx-users] question   Justin Lemkul
• [gmx-users] Help_Warning1   Tammy
• [gmx-users] SOL LJ and Coul energies   Quentin Kaas
  • [gmx-users] SOL LJ and Coul energies   Mark Abraham
• [gmx-users] water box moves during MD simulation   Ming Tang
  • [gmx-users] water box moves during MD simulation   Mark Abraham
    • [gmx-users] water box moves during MD simulation   Ming Tang
      • [gmx-users] water box moves during MD simulation   Mark Abraham
      • [gmx-users] water box moves during MD simulation   Ming Tang
      • [gmx-users] water box moves during MD simulation   Mark Abraham
• [gmx-users] question   Andrew Bostick
  • [gmx-users] question   Justin Lemkul
• [gmx-users] gromacs.org_gmx-users Digest, Vol 133, Issue 107   sunita gupta
  • [gmx-users] Protein-Ligand complex Implicit simulation   Justin Lemkul
• [gmx-users] Generate the water box   Vy Phan
  • [gmx-users] Generate the water box   姚懿
    • [gmx-users] Generate the water box   Justin Lemkul
      • [gmx-users] Generate the water box   Vy Phan
      • [gmx-users] Generate the water box   Barnett, James W
• [gmx-users] pdb2gmx: intra-chain disulfide bond missing problem   Zhang, Cheng
  • [gmx-users] pdb2gmx: intra-chain disulfide bond missing problem   Justin Lemkul
• [gmx-users] Editconf error   Jorge Dagnino
  • [gmx-users] Editconf error   Justin Lemkul
    • [gmx-users] Editconf error   Jorge Dagnino
      • [gmx-users] Editconf error   Barnett, James W
      • [gmx-users] Editconf error   Jorge Dagnino
      • [gmx-users] Editconf error   Justin Lemkul
      • [gmx-users] Editconf error   Jorge Dagnino
      • [gmx-users] Editconf error   Justin Lemkul
      • [gmx-users] Editconf error   Jorge Dagnino
• [gmx-users] How to proceed with molecule.itp file   Sotirios Dionysios I. Papadatos
  • [gmx-users] How to proceed with molecule.itp file   Cara Kreck
    • [gmx-users] How to proceed with molecule.itp file   Sotirios Dionysios I. Papadatos
      • [gmx-users] How to proceed with molecule.itp file   Justin Lemkul
• [gmx-users] Lincs all-bonds causing instability in otherwise stable system   Cara Kreck
  • [gmx-users] Lincs all-bonds causing instability in otherwise stable system   Mark Abraham
• [gmx-users] pdb2gmx: Can I change the margin 10% to a higher value in the specbond.dat ?   Zhang, Cheng
  • [gmx-users] pdb2gmx: Can I change the margin 10% to a higher value in the specbond.dat ?   Tsjerk Wassenaar
• [gmx-users] tpr file portability   Satyabrata Das
  • [gmx-users] tpr file portability   Mark Abraham
    • [gmx-users] tpr file portability   Alexey Shvetsov
      • [gmx-users] tpr file portability   Victor Rosas Garcia
      • [gmx-users] tpr file portability   Mark Abraham
• [gmx-users] tpr file portability   Satyabrata Das
• [gmx-users] About Tabulated Potentials   zhangzhengc
  • [gmx-users] About Tabulated Potentials   Justin Lemkul
    • [gmx-users] About Tabulated Potentials   Zhengcai Zhang
      • [gmx-users] About Tabulated Potentials   Justin Lemkul
  • [gmx-users] Ligand covalently bound to protein: Best practice   Ebert Maximilian
    • [gmx-users] Ligand covalently bound to protein: Best practice   Justin Lemkul
      • [gmx-users] Ligand covalently bound to protein: Best practice   Ebert Maximilian
      • [gmx-users] Ligand covalently bound to protein: Best practice   Justin Lemkul
      • [gmx-users] Water organic solvents mixtures: Which force field to use and best practice to derive parameters   Ebert Maximilian
      • [gmx-users] Water organic solvents mixtures: Which force field to use and best practice to derive parameters   Ebert Maximilian
      • [gmx-users] Water organic solvents mixtures: Which force field to use and best practice to derive parameters   Ebert Maximilian
      • [gmx-users] Water organic solvents mixtures: Which force field to use and best practice to derive parameters   Justin Lemkul
      • [gmx-users] Water organic solvents mixtures: Which force field to use and best practice to derive parameters   Mohd Farid Ismail
      • [gmx-users] Water organic solvents mixtures: Which force field to use and best practice to derive parameters   Kalev Takkis
      • [gmx-users] Water organic solvents mixtures: Which force field to use and best practice to derive parameters   Diana Lousa
      • [gmx-users] Water organic solvents mixtures: Which force field to use and best practice to derive parameters   Ebert Maximilian
      • [gmx-users] Water organic solvents mixtures: Which force field to use and best practice to derive parameters   Ebert Maximilian
      • [gmx-users] Water organic solvents mixtures: Which force field to use and best practice to derive parameters   Alan
• [gmx-users] pdb2gmx: can we use a file to specify the protonation instead of using "-inter"?   Zhang, Cheng
  • [gmx-users] pdb2gmx: can we use a file to specify the protonation instead of using "-inter"?   Christopher Neale
• [gmx-users] links errors at 700 or 800 K   Christopher Neale
  • [gmx-users] links errors at 700 or 800 K   Justin Lemkul
• [gmx-users] build nuance in gmx5 (avoiding "file INSTALL cannot find gmx")   Christopher Neale
  • [gmx-users] build nuance in gmx5 (avoiding "file INSTALL cannot find gmx")   Szilárd Páll
    • [gmx-users] build nuance in gmx5 (avoiding "file INSTALL cannot find gmx")   Christopher Neale
      • [gmx-users] build nuance in gmx5 (avoiding "file INSTALL cannot find gmx")   Szilárd Páll
      • [gmx-users] build nuance in gmx5 (avoiding "file INSTALL cannot find gmx")   Mark Abraham
• [gmx-users] Segmentation fault (core dumped) version 4.6.*   Carlos Navarro Retamal
  • [gmx-users] Segmentation fault (core dumped) version 4.6.*   Christopher Neale
    • [gmx-users] Segmentation fault (core dumped) version 4.6.*   Carlos Navarro Retamal
  • [gmx-users] Segmentation fault (core dumped) version 4.6.*   Justin Lemkul
• [gmx-users] .gro error   Poncho Arvayo Zatarain
  • [gmx-users] .gro error   Justin Lemkul
• [gmx-users] Reading double-precision trr file using xdrfile   James
• [gmx-users] Version 100 with version 83 program   Poncho Arvayo Zatarain
• [gmx-users] Version 100 with version 83 program   Poncho Arvayo Zatarain
  • [gmx-users] Version 100 with version 83 program   Poncho Arvayo Zatarain
    • [gmx-users] Fatal error tpx file   Poncho Arvayo Zatarain
  • [gmx-users] Version 100 with version 83 program   Justin Lemkul
• [gmx-users] Re generate a tpr file   Poncho Arvayo Zatarain
• [gmx-users] PMF calculation with constraint distance   leila salimi
  • [gmx-users] PMF calculation with constraint distance   Justin Lemkul
    • [gmx-users] PMF calculation with constraint distance   leila salimi
      • [gmx-users] PMF calculation with constraint distance   Justin Lemkul
• [gmx-users] H-bonding   soumadwip ghosh
• [gmx-users] How can i install DSSP for gromacs on centos6?   Homa rooz
  • [gmx-users] How can i install DSSP for gromacs on centos6?   Mark Abraham
• [gmx-users] LINSC WARNING   Vy Phan
  • [gmx-users] LINSC WARNING   Mark Abraham
    • [gmx-users] LINSC WARNING   Vy Phan
      • [gmx-users] LINSC WARNING   Ahmet Yıldırım
      • [gmx-users] LINSC WARNING   Albert
      • [gmx-users] LINSC WARNING   Mark Abraham
      • [gmx-users] LINSC WARNING   Ahmet Yıldırım
      • [gmx-users] LINSC WARNING   Justin Lemkul
• [gmx-users] How to connect different parts of a polymer?   faride badalkhani
  • [gmx-users] How to connect different parts of a polymer?   Mark Abraham
• [gmx-users] Pull code   Ming Tang
  • [gmx-users] Pull code   Justin Lemkul
• [gmx-users] distance constrain of two groups   Ming Tang
• [gmx-users] do_dssp   MUSYOKA THOMMAS
  • [gmx-users] do_dssp   Mark Abraham
    • [gmx-users] do_dssp   MUSYOKA THOMMAS
• [gmx-users] H-bond query   soumadwip ghosh
  • [gmx-users] H-bond query   Justin Lemkul
• [gmx-users] 4 Titan X or 2?   Albert
  • [gmx-users] 4 Titan X or 2?   Kutzner, Carsten
    • [gmx-users] 4 Titan X or 2?   Albert
      • [gmx-users] 4 Titan X or 2?   Kutzner, Carsten
      • [gmx-users] 4 Titan X or 2?   Szilárd Páll
• [gmx-users] conserved energy   Ahmet Yıldırım
  • [gmx-users] conserved energy   Justin Lemkul
    • [gmx-users] conserved energy   lloyd riggs
• [gmx-users] Tabulated potentials   张正财
  • [gmx-users] Tabulated potentials   Mark Abraham
• [gmx-users] non-glycosilated protein simulation   Homa rooz
  • [gmx-users] non-glycosilated protein simulation   Justin Lemkul
• [gmx-users] Run NVT equilibrium   Vy Phan
  • [gmx-users] Run NVT equilibrium   Justin Lemkul
    • [gmx-users] Run NVT equilibrium   Vy Phan
• [gmx-users] 1-4 interactions in a small molecule are missing   Lee-Ping Wang
  • [gmx-users] 1-4 interactions in a small molecule are missing   Mark Abraham
    • [gmx-users] 1-4 interactions in a small molecule are missing   Lee-Ping Wang
      • [gmx-users] 1-4 interactions in a small molecule are missing   Mark Abraham
      • [gmx-users] 1-4 interactions in a small molecule are missing   Lee-Ping Wang
      • [gmx-users] 1-4 interactions in a small molecule are missing   Bogdan Costescu
      • [gmx-users] 1-4 interactions in a small molecule are missing   Lee-Ping Wang
• [gmx-users] Bin size for Umbrella Sampling Analysis   Kevin C Chan
• [gmx-users] (no subject)   Kevin C Chan
• [gmx-users] High density   Vy Phan
  • [gmx-users] High density   Justin Lemkul
• [gmx-users] how to assign options of the same type?   Zhang, Cheng
  • [gmx-users] how to assign options of the same type?   Justin Lemkul
    • [gmx-users] how to assign options of the same type?   Barnett, James W
• [gmx-users] Can I ask how to extend my simulations?   Zhang, Cheng
  • [gmx-users] Can I ask how to extend my simulations?   Justin Lemkul
• [gmx-users] Doubt about correct system preparation sequence when protonation state calculation and ligand presence are involved   Gustavo Avelar Molina
  • [gmx-users] Doubt about correct system preparation sequence when protonation state calculation and ligand presence are involved   Justin Lemkul
• [gmx-users] End to end fixing   Seera Suryanarayana
  • [gmx-users] End to end fixing   Mark Abraham
• [gmx-users] on g_covar to produce average structure   Brett
  • [gmx-users] on g_covar to produce average structure   Justin Lemkul
• [gmx-users] force output from gromacs   Isabel Constantine
• [gmx-users] on the command gmx distance   Brett
  • [gmx-users] on the command gmx distance   Justin Lemkul
    • [gmx-users] on the command gmx distance   Teemu Murtola
• [gmx-users] RE：Re: Tabulated potentials   张正财
  • [gmx-users] Tabulated potentials   Mark Abraham
• [gmx-users] different Cv and Cp in liquid phase   Faezeh Pousaneh
• [gmx-users] Different Cv and Cp   Faezeh Pousaneh
  • [gmx-users] Different Cv and Cp   André Farias de Moura
    • [gmx-users] Fwd: Different Cv and Cp   Faezeh Pousaneh
  • [gmx-users] Different Cv and Cp   Michael Shirts
    • [gmx-users] Different Cv and Cp   Faezeh Pousaneh
      • [gmx-users] Different Cv and Cp   Faezeh Pousaneh
      • [gmx-users] Different Cv and Cp   Faezeh Pousaneh
      • [gmx-users] Different Cv and Cp   Michael Shirts
• [gmx-users] gromacs.org_gmx-users Digest, Vol 133, Issue 146   ha.roozbahany
• [gmx-users] detailed force output from gromacs   Isabel Constantine
  • [gmx-users] detailed force output from gromacs   Mark Abraham
• [gmx-users] Can we convert one job into many serial jobs?   Zhang, Cheng
  • [gmx-users] Can we convert one job into many serial jobs?   Mark Abraham
  • [gmx-users] Can we convert one job into many serial jobs?   Christopher Neale
• [gmx-users] Error using grompp - atomtype not found   Sotirios Dionysios I. Papadatos
  • [gmx-users] Error using grompp - atomtype not found   Justin Lemkul
    • [gmx-users] Error using grompp - atomtype not found   Sotirios Dionysios I. Papadatos
      • [gmx-users] Error using grompp - atomtype not found   Justin Lemkul
• [gmx-users] Renaming of the chains in time of simulation (like ABC...to X)   Ambarnil Ghosh
  • [gmx-users] Renaming of the chains in time of simulation (like ABC...to X)   Mark Abraham
  • [gmx-users] Renaming of the chains in time of simulation (like ABC...to X)   Ambarnil Ghosh
    • [gmx-users] Renaming of the chains in time of simulation (like ABC...to X)   Tsjerk Wassenaar
• [gmx-users] short-range eletrostatic energy of every aminoacid   Diogo Martins de Sá
• [gmx-users] short-range eletrostatic energy of every aminoacid   Diogo Martins de Sá
  • [gmx-users] short-range eletrostatic energy of every aminoacid   Ullmann, Thomas
• [gmx-users] Trojan version of putty software   Christopher Neale
• [gmx-users] Problem with xpm2ps   Agnivo Gosai
  • [gmx-users] Problem with xpm2ps   Justin Lemkul
• [gmx-users] #include section for a .top file   soumadwip ghosh
• [gmx-users] #include section in a .top file   soumadwip ghosh
  • [gmx-users] #include section in a .top file   Justin Lemkul
• [gmx-users] CHARMM Terminal Patches   Felipe Merino
  • [gmx-users] CHARMM Terminal Patches   Justin Lemkul
• [gmx-users] restraint one part of protein   Vy Phan
  • [gmx-users] restraint one part of protein   Justin Lemkul
    • [gmx-users] restraint one part of protein   Vy Phan
• [gmx-users] Variation of distance between 2 CA atoms with time   Biplab Ghosh
  • [gmx-users] Variation of distance between 2 CA atoms with time   Justin Lemkul
• [gmx-users] #include section in a .top file   soumadwip ghosh
• [gmx-users] #include section in a .top file   soumadwip ghosh
  • [gmx-users] #include section in a .top file   Justin Lemkul
• [gmx-users] Simulation of Ethanol   mohsen shahlaei
  • [gmx-users] Simulation of Ethanol   André Farias de Moura
• [gmx-users] Simulation of Ethanol   soumadwip ghosh
  • [gmx-users] Simulation of Ethanol   Oliver Stueker
• [gmx-users] trjconv command not found   Poncho Arvayo Zatarain
  • [gmx-users] trjconv command not found   Justin Lemkul
• [gmx-users] Index file   Giannis Gl
  • [gmx-users] Index file   Justin Lemkul
• [gmx-users] Molecule specific explosion   Eric Smoll
  • [gmx-users] Molecule specific explosion   Justin Lemkul
• [gmx-users] gromacs.org_gmx-users Digest, Vol 133, Issue 165   Biplab Ghosh
  • [gmx-users] Variation of distance between 2 CA atoms with time   Justin Lemkul
• [gmx-users] Bin size for umbrella sampling analysis   Kevin C Chan
• [gmx-users] Coul-SR: positive value for interating group   Raj D
  • [gmx-users] Coul-SR: positive value for interating group   André Farias de Moura
    • [gmx-users] Coul-SR: positive value for interating group   Mark Abraham
      • [gmx-users] Coul-SR: positive value for interating group   Raj D
      • [gmx-users] Coul-SR: positive value for interating group   André Farias de Moura
      • [gmx-users] Coul-SR: positive value for interating group   Raj D
      • [gmx-users] Coul-SR: positive value for interating group   Mark Abraham
      • [gmx-users] Coul-SR: positive value for interating group   Raj D
• [gmx-users] Building topologies manually   Vy Phan
  • [gmx-users] Building topologies manually   Justin Lemkul
    • [gmx-users] Building topologies manually   Vy Phan
      • [gmx-users] Building topologies manually   Justin Lemkul
• [gmx-users] make_ndx question   Giannis Gl
  • [gmx-users] make_ndx question   Christopher Neale
• [gmx-users] Sigma and Epsilon values for nonbonded interactions with Fe in 2Fe2S cluster   Jan Riehm
  • [gmx-users] Sigma and Epsilon values for nonbonded interactions with Fe in 2Fe2S cluster   Raj D
    • [gmx-users] Sigma and Epsilon values for nonbonded interactions with Fe in 2Fe2S cluster   Justin Lemkul
• [gmx-users] gromos53a6_lipid.ff/forcefield.itp not found   Poncho Arvayo Zatarain
  • [gmx-users] gromos53a6_lipid.ff/forcefield.itp not found   Poncho Arvayo Zatarain
  • [gmx-users] gromos53a6_lipid.ff/forcefield.itp not found   Justin Lemkul
• [gmx-users] g_rdf normalization (-xy option)..   Alberto Sergio Garay
• [gmx-users] iodine non-bonded parameters for charmm36 force field   Yunlong Liu
  • [gmx-users] iodine non-bonded parameters for charmm36 force field   Justin Lemkul
    • [gmx-users] iodine non-bonded parameters for charmm36 force field   Yunlong Liu
      • [gmx-users] iodine non-bonded parameters for charmm36 force field   Justin Lemkul
  • [gmx-users] iodine non-bonded parameters for charmm36 force field   Justin Lemkul
• [gmx-users] Making disulfide bonds between protein and glutathion (GSH)   Vy Phan
  • [gmx-users] Making disulfide bonds between protein and glutathion (GSH)   Justin Lemkul
    • [gmx-users] Making disulfide bonds between protein and glutathion (GSH)   Vy Phan
• [gmx-users] Topology for Ligand from Prodrg server and force field 54a7 for protein   Vy Phan
  • [gmx-users] Topology for Ligand from Prodrg server and force field 54a7 for protein   Justin Lemkul
• [gmx-users] trjcat issue   Giannis Gl
  • [gmx-users] trjcat issue   Justin Lemkul
• [gmx-users] [ pairs_nb ] directive problems   João Martins
  • [gmx-users] [ pairs_nb ] directive problems   Mark Abraham
    • [gmx-users] [ pairs_nb ] directive problems   João Martins
      • [gmx-users] [ pairs_nb ] directive problems   Mark Abraham
      • [gmx-users] [ pairs_nb ] directive problems   João Martins
• [gmx-users] persistence length of triple helix   Ming Tang
• [gmx-users] User directive for non-bonded interactions   Peter Kroon
  • [gmx-users] User directive for non-bonded interactions   João Martins
    • [gmx-users] User directive for non-bonded interactions   Peter Kroon
      • [gmx-users] User directive for non-bonded interactions   Justin Lemkul
      • [gmx-users] User directive for non-bonded interactions   Peter Kroon
      • [gmx-users] User directive for non-bonded interactions   Barnett, James W
      • [gmx-users] User directive for non-bonded interactions   Mark Abraham
• [gmx-users] Regarding difference in SASA values using GMX versions 5.X and 4.X   bipin singh
  • [gmx-users] Regarding difference in SASA values using GMX versions 5.X and 4.X   Mark Abraham
    • [gmx-users] Regarding difference in SASA values using GMX versions 5.X and 4.X   bipin singh
• [gmx-users] Iodide ion LJ parameters   Yunlong Liu
• [gmx-users] (no subject)   HongTham
• [gmx-users] number of Nodes after extension   Faezeh Pousaneh
  • [gmx-users] number of Nodes after extension   Mark Abraham
    • [gmx-users] number of Nodes after extension   Faezeh Pousaneh
• [gmx-users] PDB files   soumadwip ghosh
  • [gmx-users] PDB files   Justin Lemkul
  • [gmx-users] Rule for atom names in GROMACS   Ebert Maximilian
    • [gmx-users] Rule for atom names in GROMACS   Justin Lemkul
• [gmx-users] Simulation at Different pH's   xy21hb
  • [gmx-users] Simulation at Different pH's   Justin Lemkul
• [gmx-users] check point file   Atila Petrosian
  • [gmx-users] check point file   Mark Abraham
• [gmx-users] rtp file   shahab shariati
  • [gmx-users] rtp file   Justin Lemkul
• [gmx-users] edr file   Andrew Bostick
  • [gmx-users] edr file   Justin Lemkul
• [gmx-users] edr file   Andrew Bostick
  • [gmx-users] edr file   Mark Abraham
• [gmx-users] Should I fix my drugs during membrane penetration simulation?   yoochan
  • [gmx-users] Should I fix my drugs during membrane penetration simulation?   Justin Lemkul
• [gmx-users] Cyclohexane simulation problem   mohsen shahlaei
  • [gmx-users] Cyclohexane simulation problem   Justin Lemkul
• [gmx-users] regarding pdb2gmx   soumadwip ghosh
  • [gmx-users] regarding pdb2gmx   Justin Lemkul
• [gmx-users] regarding pdb2gmx   soumadwip ghosh
  • [gmx-users] regarding pdb2gmx   Justin Lemkul
• [gmx-users] Cyclohexane simulation problem   Justin Lemkul
• [gmx-users] Checksum wrong   Ahmet Yıldırım
  • [gmx-users] Checksum wrong   Ahmet Yıldırım
• [gmx-users] Cyclohexane simulation problem   mohsen shahlaei
  • [gmx-users] Cyclohexane simulation problem   Justin Lemkul
• [gmx-users] regarding pdb2gmx   soumadwip ghosh
  • [gmx-users] regarding pdb2gmx   Justin Lemkul
• [gmx-users] Adding a substrate into protein-lipid bilayer system   MPI

Last message date: Sun May 31 22:17:11 CEST 2015
Archived on: Sun May 31 22:17:12 CEST 2015

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