October 2016 Archives by thread

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Starting: Sat Oct 1 04:49:39 CEST 2016
Ending: Mon Oct 31 23:58:40 CET 2016
Messages: 583

• [gmx-users] Using x2top and grompp   Devon Dillon
  • [gmx-users] Using x2top and grompp   Mark Abraham
• [gmx-users] mail about installation og gromacs 4.6.1   subramanian vidhyasankar
  • [gmx-users] mail about installation og gromacs 4.6.1   Mark Abraham
• [gmx-users] Finding free energy differences between conformation clusters on plumed   Billy Williams-Noonan
• [gmx-users] g_membed failure   Sophia Kuriakidi
  • [gmx-users] g_membed failure   Mark Abraham
    • [gmx-users] g_membed failure   Sophia Kuriakidi
      • [gmx-users] g_membed failure   Sophia Kuriakidi
      • [gmx-users] g_membed failure   Tsjerk Wassenaar
• [gmx-users] Simulating PMMA   Karel de Vries
• [gmx-users] energy minimisation - LINCS WARNING   Nash, Anthony
  • [gmx-users] energy minimisation - LINCS WARNING   Justin Lemkul
    • [gmx-users] energy minimisation - LINCS WARNING   Nash, Anthony
      • [gmx-users] energy minimisation - LINCS WARNING   Mark Abraham
      • [gmx-users] energy minimisation - LINCS WARNING   Nash, Anthony
• [gmx-users] moleculaes breaking off after EM - help   Thejus Kartha
  • [gmx-users] moleculaes breaking off after EM - help   Justin Lemkul
    • [gmx-users] moleculaes breaking off after EM - help   Thejus Kartha
      • [gmx-users] moleculaes breaking off after EM - help   Justin Lemkul
• [gmx-users] restarting the crashed run   Roshan Shrestha
  • [gmx-users] restarting the crashed run   Mark Abraham
• [gmx-users] gromacs mdrun problem   ISHRAT JAHAN
  • [gmx-users] gromacs mdrun problem   Mark Abraham
• [gmx-users] segmentation fault in md   ISHRAT JAHAN
  • [gmx-users] segmentation fault in md   Justin Lemkul
• [gmx-users] Protein Membrane SImulation using CHARMM 36 forcefield   Roshan Shrestha
  • [gmx-users] Protein Membrane SImulation using CHARMM 36 forcefield   Justin Lemkul
• [gmx-users] Errors in building gromacs 5.0.4 MPI version   Steve Seibold
• [gmx-users] Point charges?   Marko S
  • [gmx-users] Point charges?   Justin Lemkul
    • [gmx-users] Point charges?   Marko S
      • [gmx-users] Point charges?   Mark Abraham
• [gmx-users] problem with gmx energy   ali.khourshaei71 at student.sharif.edu
• [gmx-users] problem with gmx energy   ali.khourshaei71 at student.sharif.edu
• [gmx-users] Gromacs Relative Free Energy Calculation Issue   Guanglin Kuang
  • [gmx-users] Gromacs Relative Free Energy Calculation Issue   Mark Abraham
    • [gmx-users] Gromacs Relative Free Energy Calculation Issue   Guanglin Kuang
  • [gmx-users] Gromacs Relative Free Energy Calculation Issue   Hannes Loeffler
  • [gmx-users] Gromacs Relative Free Energy Calculation Issue   Hannes Loeffler
    • [gmx-users] Gromacs Relative Free Energy Calculation Issue   Guanglin Kuang
      • [gmx-users] Gromacs Relative Free Energy Calculation Issue   Hannes Loeffler
      • [gmx-users] Gromacs Relative Free Energy Calculation Issue   Hannes Loeffler
      • [gmx-users] Gromacs Relative Free Energy Calculation Issue   Guanglin Kuang
      • [gmx-users] Gromacs Relative Free Energy Calculation Issue   Hannes Loeffler
• [gmx-users] ion parameters in amber99sb   Irem Altan
  • [gmx-users] ion parameters in amber99sb   Irem Altan
    • [gmx-users] ion parameters in amber99sb   Mark Abraham
      • [gmx-users] ion parameters in amber99sb   Irem Altan
      • [gmx-users] ion parameters in amber99sb   Justin Lemkul
• [gmx-users] Command question   Xiaoyun Yuan
  • [gmx-users] Command question   Mark Abraham
• [gmx-users] Restart after crash   Roshan Shrestha
  • [gmx-users] Restart after crash   Mark Abraham
• [gmx-users] gmx make_ndx - separating pulling groups by fragments   vprytkov
  • [gmx-users] gmx make_ndx - separating pulling groups by fragments   Justin Lemkul
• [gmx-users] D- &/or L- cmap for charmm36 (gromacs.org_gmx-users Digest, Vol 149, Issue 71)   HENRY WITTLER
  • [gmx-users] D- &/or L- cmap for charmm36 (gromacs.org_gmx-users Digest, Vol 149, Issue 71)   Justin Lemkul
• [gmx-users] Fatal Error while using CHARMM 36 force field   Roshan Shrestha
  • [gmx-users] Fatal Error while using CHARMM 36 force field   Justin Lemkul
• [gmx-users] Free energy calculation problem with too high dG   Vlad
  • [gmx-users] Free energy calculation problem with too high dG   Hannes Loeffler
    • [gmx-users] Free energy calculation problem with too high dG   Vlad
      • [gmx-users] Free energy calculation problem with too high dG   Hannes Loeffler
      • [gmx-users] Free energy calculation problem with too high dG   Vlad
      • [gmx-users] Free energy calculation problem with too high dG   Hannes Loeffler
• [gmx-users] Different Results with Different Platforms   Kelechi Okoroafor
  • [gmx-users] Different Results with Different Platforms   Mark Abraham
• [gmx-users] Angular probability function   João Henriques
  • [gmx-users] Angular probability function   João Henriques
• [gmx-users] Different Results with Different Platforms   Kelechi Okoroafor
  • [gmx-users] Different Results with Different Platforms   Justin Lemkul
  • [gmx-users] Different Results with Different Platforms   Mark Abraham
• [gmx-users] Electron Density   Sanket Ghawali
  • [gmx-users] Electron Density   David van der Spoel
• [gmx-users] Different Results with Different Platforms   Kelechi Okoroafor
  • [gmx-users] Different Results with Different Platforms   Justin Lemkul
• [gmx-users] Different Results with Different Platforms   Kelechi Okoroafor
  • [gmx-users] Different Results with Different Platforms   Szilárd Páll
• [gmx-users] mail about g_select tool   subramanian vidhyasankar
• [gmx-users] Different Results with Different Platforms   Kelechi Okoroafor
• [gmx-users] Different Results with Different Platforms   Kelechi Okoroafor
• [gmx-users] Replica Exchange MD   Kalyanashis Jana
  • [gmx-users] Replica Exchange MD   Sotirios Dionysios I. Papadatos
    • [gmx-users] Replica Exchange MD   Kalyanashis Jana
      • [gmx-users] Replica Exchange MD   Mark Abraham
      • [gmx-users] Replica Exchange MD   Kalyanashis Jana
      • [gmx-users] Replica Exchange MD   Mark Abraham
      • [gmx-users] Replica Exchange MD   Kalyanashis Jana
• [gmx-users] continuing a run, no .cpt file generated   shivangi nangia
• [gmx-users] g_spatial Problem   Christopher Neale
  • [gmx-users] g_spatial Problem   Rubaiyet Abedin
    • [gmx-users] g_spatial Problem   Christopher Neale
      • [gmx-users] g_spatial Problem   Rubaiyet Abedin
      • [gmx-users] g_spatial Problem   Christopher Neale
• [gmx-users] Regarding Force field   Sathish Kumar
  • [gmx-users] Regarding Force field   Justin Lemkul
• [gmx-users] segmentation fault with unusually high temperature and energy values   Sahithya S Iyer
  • [gmx-users] segmentation fault with unusually high temperature and energy values   Justin Lemkul
• [gmx-users] moleculaes breaking off after EM - help   Justin Lemkul
  • [gmx-users] moleculaes breaking off after EM - help   Thejus Kartha
    • [gmx-users] moleculaes breaking off after EM - help   Justin Lemkul
• [gmx-users] refinement of homology-based protein structure   Mahboobeh Eslami
  • [gmx-users] refinement of homology-based protein structure   Mahboobeh Eslami
• [gmx-users] Regarding Fatal error   Kamal Chaudhary
  • [gmx-users] Regarding Fatal error   Justin Lemkul
• [gmx-users] Different Results with Different Platforms   Kelechi Okoroafor
  • [gmx-users] Different Results with Different Platforms   jkrieger at mrc-lmb.cam.ac.uk
• [gmx-users] pulling time   Alexander Alexander
  • [gmx-users] pulling time   Justin Lemkul
• [gmx-users] Different Results with Different Platforms   Kelechi Okoroafor
  • [gmx-users] Different Results with Different Platforms   Justin Lemkul
• [gmx-users] Different Results with Different Platforms   Kelechi Okoroafor
  • [gmx-users] Different Results with Different Platforms   Justin Lemkul
• [gmx-users] Topology question   Xiaoyun Yuan
• [gmx-users] Fatal error Invalid pairs 5   Devon
  • [gmx-users] Fatal error Invalid pairs 5   Justin Lemkul
• [gmx-users] high-temperature MD   YanhuaOuyang
  • [gmx-users] high-temperature MD   Justin Lemkul
    • [gmx-users] high-temperature MD   OuyangYanhua
      • [gmx-users] high-temperature MD   Justin Lemkul
      • [gmx-users] high-temperature MD   Christopher Neale
      • [gmx-users] high-temperature MD   OuyangYanhua
• [gmx-users] PMF of a short peptide on a solid surface   Alexander Alexander
• [gmx-users] Different Results with Different Platforms   Kelechi Okoroafor
  • [gmx-users] Different Results with Different Platforms   Justin Lemkul
• [gmx-users] mdrun don't write a checkpoint file   Menig, Simon
  • [gmx-users] mdrun don't write a checkpoint file   Justin Lemkul
    • [gmx-users] mdrun don't write a checkpoint file   Menig, Simon
      • [gmx-users] mdrun don't write a checkpoint file   Justin Lemkul
      • [gmx-users] mdrun don't write a checkpoint file   Menig, Simon
• [gmx-users] Different Results with Different Platforms   Kelechi Okoroafor
• [gmx-users] mail regarding installation of geomacs5.1.2   subramanian vidhyasankar
  • [gmx-users] mail regarding installation of geomacs5.1.2   Justin Lemkul
• [gmx-users] Gromacs GMX_BUILD_FFTW warning in building Gromas 5.0.4   Steve Seibold
  • [gmx-users] Gromacs GMX_BUILD_FFTW warning in building Gromas 5.0.4   Justin Lemkul
• [gmx-users] fatal error invalid pairs 5   Devon Dillon
  • [gmx-users] fatal error invalid pairs 5   Justin Lemkul
• [gmx-users] nonbonded molecules and atoms   sumair ahmed
  • [gmx-users] nonbonded molecules and atoms   Justin Lemkul
• [gmx-users] Problem with gmx genion   Live King
  • [gmx-users] Problem with gmx genion   Justin Lemkul
• [gmx-users] Umbrella sampling tutorial   gozde ergin
  • [gmx-users] Umbrella sampling tutorial   Justin Lemkul
    • [gmx-users] Umbrella sampling tutorial   gozde ergin
      • [gmx-users] Umbrella sampling tutorial   gozde ergin
• [gmx-users] principal component analysis chain break   胡杰
  • [gmx-users] principal component analysis chain break   Tsjerk Wassenaar
• [gmx-users] gromacs.org_gmx-users Digest, Vol 150, Issue 35   胡杰
• [gmx-users] Capping the termini of a protein   soumadwip ghosh
  • [gmx-users] Capping the termini of a protein   Justin Lemkul
• [gmx-users] Errors during energy minimization of POPC membrane   Roshan Shrestha
  • [gmx-users] Errors during energy minimization of POPC membrane   Justin Lemkul
  • [gmx-users] Errors during energy minimization of POPC membrane   Roshan Shrestha
    • [gmx-users] Errors during energy minimization of POPC membrane   Justin Lemkul
• [gmx-users] GPU performance question   Irem Altan
  • [gmx-users] GPU performance question   Mark Abraham
• [gmx-users] Editconf module and manual editing   Thejus Kartha
  • [gmx-users] Editconf module and manual editing   Justin Lemkul
• [gmx-users] gmx energy -fluct_rprops (gmx 5.1.2): output?   Jones de Andrade
  • [gmx-users] gmx energy -fluct_rprops (gmx 5.1.2): output?   Justin Lemkul
    • [gmx-users] gmx energy -fluct_rprops (gmx 5.1.2): output?   Jones de Andrade
      • [gmx-users] gmx energy -fluct_rprops (gmx 5.1.2): output?   Jones de Andrade
      • [gmx-users] gmx energy -fluct_rprops (gmx 5.1.2): output?   Justin Lemkul
      • [gmx-users] gmx energy -fluct_rprops (gmx 5.1.2): output?   Jones de Andrade
      • [gmx-users] gmx energy -fluct_rprops (gmx 5.1.2): output?   Justin Lemkul
      • [gmx-users] gmx energy -fluct_rprops (gmx 5.1.2): output?   Jones de Andrade
• [gmx-users] help to install gromacs in a windows system   Arnauld Robert Tapa
• [gmx-users] Unknown bond_atomtype CAY   Sameer Edirisinghe
  • [gmx-users] Unknown bond_atomtype CAY   Justin Lemkul
• [gmx-users] gromacs build options   Mahmood Naderan
  • [gmx-users] gromacs build options   Mark Abraham
    • [gmx-users] gromacs build options   Mahmood Naderan
      • [gmx-users] gromacs build options   Mark Abraham
      • [gmx-users] gromacs build options   Mahmood Naderan
      • [gmx-users] gromacs build options   Mark Abraham
      • [gmx-users] gromacs build options   Mahmood Naderan
      • [gmx-users] gromacs build options   Mark Abraham
      • [gmx-users] gromacs build options   Mahmood Naderan
      • [gmx-users] gromacs build options   Mark Abraham
      • [gmx-users] gromacs build options   Mahmood Naderan
      • [gmx-users] gromacs build options   Mark Abraham
      • [gmx-users] gromacs build options   Mahmood Naderan
      • [gmx-users] gromacs build options   Mark Abraham
      • [gmx-users] gromacs build options   Mahmood Naderan
• [gmx-users] Installation of gromacs 5.1.4 in a windows system   Arnauld Robert Tapa
• [gmx-users] principal component analysis chain break (Tsjerk Wassenaar)   胡杰
  • [gmx-users] principal component analysis chain break (Tsjerk Wassenaar)   Tsjerk Wassenaar
• [gmx-users] Errors during energy minimization of POPC membrane   Justin Lemkul
• [gmx-users] PMF and lack if NPT equilibration   Alex
  • [gmx-users] PMF and lack if NPT equilibration   Justin Lemkul
    • [gmx-users] PMF and lack if NPT equilibration   Alex
      • [gmx-users] PMF and lack if NPT equilibration   Justin Lemkul
      • [gmx-users] PMF and lack if NPT equilibration   Alex
      • [gmx-users] PMF and lack if NPT equilibration   Justin Lemkul
• [gmx-users] Catenation of trajectories   Sun Iba
  • [gmx-users] Catenation of trajectories   Mark Abraham
• [gmx-users] Tabulated dihedral potential   Parvez Mh
  • [gmx-users] Tabulated dihedral potential   Mark Abraham
• [gmx-users] Installation of gromacs 5.1.4 in a windows system   Nikhil Maroli
• [gmx-users] Multithread run issues   Mahmood Naderan
  • [gmx-users] Multithread run issues   Mark Abraham
    • [gmx-users] Multithread run issues   Mahmood Naderan
      • [gmx-users] Multithread run issues   Mark Abraham
      • [gmx-users] Multithread run issues   Mahmood Naderan
      • [gmx-users] Multithread run issues   Mahmood Naderan
      • [gmx-users] Multithread run issues   Mark Abraham
• [gmx-users] principal component analysis chain break (Tsjerk Wassenaar)   胡杰
• [gmx-users] problem with gmx genconf?   Thejus Kartha
  • [gmx-users] problem with gmx genconf?   Justin Lemkul
    • [gmx-users] problem with gmx genconf?   Thejus Kartha
      • [gmx-users] problem with gmx genconf?   Justin Lemkul
      • [gmx-users] problem with gmx genconf?   Thejus Kartha
      • [gmx-users] problem with gmx genconf?   Justin Lemkul
• [gmx-users] problem encountered during installation, the AVX2_256support   张敏华
• [gmx-users] US Simulation : profile and histogram   Nikhil Maroli
  • [gmx-users] US Simulation : profile and histogram   Justin Lemkul
• [gmx-users] .itp file error   sumair ahmed
  • [gmx-users] .itp file error   Justin Lemkul
• [gmx-users] GPU Hardware recommendations   Sebastian Stammler
  • [gmx-users] GPU Hardware recommendations   Justin Lemkul
    • [gmx-users] GPU Hardware recommendations   Sebastian Stammler
      • [gmx-users] GPU Hardware recommendations   Mark Abraham
      • [gmx-users] GPU Hardware recommendations   Yahya S
• [gmx-users] calculate cross correlation function in hydrogen bond dynamics, Luzar and Chandler analysis (gmx hbond)   Jiannan Liu
• [gmx-users] gromacs 2016 vs 5.1.4   Nikhil Maroli
  • [gmx-users] gromacs 2016 vs 5.1.4   Erik Marklund
    • [gmx-users] gromacs 2016 vs 5.1.4   Mark Abraham
• [gmx-users] demux.pl   YanhuaOuyang
  • [gmx-users] demux.pl   Mark Abraham
• [gmx-users] PMF   Alex
  • [gmx-users] PMF   Justin Lemkul
    • [gmx-users] PMF   Alex
      • [gmx-users] PMF   Justin Lemkul
      • [gmx-users] PMF   Alex
• [gmx-users] mdp file of membrane simulation   Mijiddorj Batsaikhan
• [gmx-users] mdp file of membrane simulation   Nikhil Maroli
• [gmx-users] Mass and charge data are missing in [ atomtypes ] section.   Dd H
  • [gmx-users] Mass and charge data are missing in [ atomtypes ] section.   Alan
    • [gmx-users] Mass and charge data are missing in [ atomtypes ] section.   Dd H
      • [gmx-users] Mass and charge data are missing in [ atomtypes ] section.   Alan
      • [gmx-users] Mass and charge data are missing in [ atomtypes ] section.   Dd H
      • [gmx-users] Mass and charge data are missing in [ atomtypes ] section.   Alan
      • [gmx-users] Mass and charge data are missing in [ atomtypes ] section.   Dd H
      • [gmx-users] Mass and charge data are missing in [ atomtypes ] section.   Justin Lemkul
      • [gmx-users] Mass and charge data are missing in [ atomtypes ] section.   Dd H
• [gmx-users] pull code geometry direction   Fabian Knoch
  • [gmx-users] pull code geometry direction   Justin Lemkul
• [gmx-users] changes of orientation with respect to time   Nikhil Maroli
  • [gmx-users] changes of orientation with respect to time   Justin Lemkul
• [gmx-users] Fine tune the RDF of water around a dummy metal   Nash, Anthony
  • [gmx-users] Fine tune the RDF of water around a dummy metal   Justin Lemkul
    • [gmx-users] Fine tune the RDF of water around a dummy metal   Nash, Anthony
      • [gmx-users] Fine tune the RDF of water around a dummy metal   Justin Lemkul
• [gmx-users] D- &/or L- cmap for charmm36   HENRY WITTLER
  • [gmx-users] D- &/or L- cmap for charmm36   Justin Lemkul
• [gmx-users] Recruiting a postdoc for GROMACS improvements and development   Michael Shirts
• [gmx-users] Fwd: Questions for the forum   Matilde Viegas
  • [gmx-users] Fwd: Questions for the forum   Dd H
    • [gmx-users] Fwd: Questions for the forum   Matilde Viegas
      • [gmx-users] Fwd: Questions for the forum   Justin Lemkul
      • [gmx-users] Fwd: Questions for the forum   Matilde Viegas
      • [gmx-users] Fwd: Questions for the forum   Justin Lemkul
      • [gmx-users] Fwd: Questions for the forum   Matilde Viegas
      • [gmx-users] Fwd: Questions for the forum   Justin Lemkul
      • [gmx-users] Fwd: Questions for the forum   Matilde Viegas
      • [gmx-users] Fwd: Questions for the forum   Mark Abraham
      • [gmx-users] Fwd: Questions for the forum   Matilde Viegas
      • [gmx-users] Fwd: Questions for the forum   jkrieger at mrc-lmb.cam.ac.uk
      • [gmx-users] Fwd: Questions for the forum   Stéphane Téletchéa
• [gmx-users] Thermodynamic integration and re-weighting method   gozde ergin
• [gmx-users] Free energy change and volume of the box   Alex
  • [gmx-users] Free energy change and volume of the box   Hannes Loeffler
  • [gmx-users] Free energy change and volume of the box   BOSISIO Stefano
• [gmx-users] Thermodynamic integration and re-weighting method   gozde ergin
  • [gmx-users] Thermodynamic integration and re-weighting method   gozde ergin
    • [gmx-users] Thermodynamic integration and re-weighting method   Alex
      • [gmx-users] Thermodynamic integration and re-weighting method   gozde ergin
• [gmx-users] doubt regarding mdp option for rerun   Tushar Ranjan Moharana
  • [gmx-users] doubt regarding mdp option for rerun   Justin Lemkul
• [gmx-users] trr file   Rita Paiva Melo
  • [gmx-users] trr file   Nuno Azoia
    • [gmx-users] trr file   Rita Paiva Melo
      • [gmx-users] trr file   Nuno Azoia
      • [gmx-users] trr file   Mark Abraham
      • [gmx-users] trr file   tasneem kausar
      • [gmx-users] trr file   Diana Lousa
      • [gmx-users] trr file   Dan Gil
  • [gmx-users] trr file   jkrieger at mrc-lmb.cam.ac.uk
• [gmx-users] QMMM install on GMX5.1   Xianchi Dong
  • [gmx-users] QMMM install on GMX5.1   Sunil Pokharel
• [gmx-users] Dielectric constant calculation   Thejus Kartha
  • [gmx-users] Dielectric constant calculation   David van der Spoel
    • [gmx-users] Dielectric constant calculation   Thejus Kartha
• [gmx-users] GROMACS mdrun   Shilpa Janarthanan
  • [gmx-users] GROMACS mdrun   Mark Abraham
• [gmx-users] QMMM install on GMX5.1 (Xianchi Dong)   Clinton King
  • [gmx-users] QMMM install on GMX5.1 (Xianchi Dong)   Xianchi Dong
    • [gmx-users] QMMM install on GMX5.1 (Xianchi Dong)   Andrew Guy
      • [gmx-users] QMMM install on GMX5.1 (Xianchi Dong)   Xianchi Dong
      • [gmx-users] QMMM install on GMX5.1 (Xianchi Dong)   Andrew Guy
• [gmx-users] parameters for PbSe (quantum dot)   SAKO MIRZAIE
  • [gmx-users] parameters for PbSe (quantum dot)   Justin Lemkul
    • [gmx-users] parameters for PbSe (quantum dot)   SAKO MIRZAIE
      • [gmx-users] parameters for PbSe (quantum dot)   André Farias de Moura
• [gmx-users] mdp   Mouri Ahmed
  • [gmx-users] mdp   Parvez Mh
    • [gmx-users] mdp   Justin Lemkul
      • [gmx-users] mdp   Mouri Ahmed
      • [gmx-users] mdp   Mark Abraham
      • [gmx-users] mdp   Mouri Ahmed
• [gmx-users] mdp file   Mouri Ahmed
• [gmx-users] water model   Parvez Mh
  • [gmx-users] water model   Mark Abraham
• [gmx-users] Low cpu utilization   Mahmood Naderan
  • [gmx-users] Low cpu utilization   Parvez Mh
    • [gmx-users] Low cpu utilization   Mahmood Naderan
      • [gmx-users] Low cpu utilization   Mahmood Naderan
      • [gmx-users] Low cpu utilization   Parvez Mh
      • [gmx-users] Low cpu utilization   Mark Abraham
      • [gmx-users] Low cpu utilization   Mahmood Naderan
      • [gmx-users] Low cpu utilization   Mark Abraham
      • [gmx-users] Low cpu utilization   Mahmood Naderan
      • [gmx-users] Low cpu utilization   Mahmood Naderan
      • [gmx-users] Low cpu utilization   Mahmood Naderan
      • [gmx-users] Low cpu utilization   Mark Abraham
• [gmx-users] Continuing simulation with velocities and positions of equilibrated run and after modifying .mdp   Bappa Ghosh
  • [gmx-users] Continuing simulation with velocities and positions of equilibrated run and after modifying .mdp   Mark Abraham
• [gmx-users] gromacs.org_gmx-users Digest, Vol 150, Issue 68   Timofey Tyugashev
• [gmx-users] Mixed Solvents on gromacs v5   Mijiddorj Batsaikhan
  • [gmx-users] Mixed Solvents on gromacs v5   Justin Lemkul
• [gmx-users] Free energy - FEP   Alex
  • [gmx-users] Free energy - FEP   Hannes Loeffler
• [gmx-users] pressure coupling   pari lotfi
  • [gmx-users] pressure coupling   Peter Kroon
• [gmx-users] Computational Electrophysiology: how about implicit solvent?   Vries, de, H.W.
  • [gmx-users] Computational Electrophysiology: how about implicit solvent?   Kutzner, Carsten
• [gmx-users] How to decrease the time gap between frames of an already made simulation   Marko Sever
  • [gmx-users] How to decrease the time gap between frames of an already made simulation   Smith, Micholas D.
• [gmx-users] gmx mdrun restart   Sailesh Bataju
  • [gmx-users] gmx mdrun restart   Mark Abraham
• [gmx-users] TIP4P/2005f parameter modification in Gromacs 5.1.2   Chapman, Christopher W.
  • [gmx-users] TIP4P/2005f parameter modification in Gromacs 5.1.2   Mark Abraham
    • [gmx-users] TIP4P/2005f parameter modification in Gromacs 5.1.2   Chapman, Christopher W.
      • [gmx-users] TIP4P/2005f parameter modification in Gromacs 5.1.2   Justin Lemkul
      • [gmx-users] TIP4P/2005f parameter modification in Gromacs 5.1.2   Chapman, Christopher W.
      • [gmx-users] TIP4P/2005f parameter modification in Gromacs 5.1.2   Justin Lemkul
• [gmx-users] gmx mdrun restart   Sailesh Bataju
  • [gmx-users] gmx mdrun restart   Mark Abraham
• [gmx-users] How to decrease the time gap between frames of an already made simulation   Marko Sever
  • [gmx-users] How to decrease the time gap between frames of an already made simulation   Smith, Micholas D.
    • [gmx-users] How to decrease the time gap between frames of an already made simulation   Mark Abraham
• [gmx-users] mpirun error   Sun Iba
  • [gmx-users] mpirun error   Andrew Guy
    • [gmx-users] mpirun error   Sun Iba
• [gmx-users] How to decrease the time gap between frames of an already made simulation   Marko Sever
  • [gmx-users] How to decrease the time gap between frames of an already made simulation   Mark Abraham
• [gmx-users] GROMACS simulation with GPU at different nodes   오태환
  • [gmx-users] GROMACS simulation with GPU at different nodes   Mark Abraham
• [gmx-users] GROMACS simulation with GPU at different nodes   TaeHwan OH
  • [gmx-users] GROMACS simulation with GPU at different nodes   Mark Abraham
• [gmx-users] mpirun error   Timofey Tyugashev
• [gmx-users] mpirun error   Nikhil Maroli
• [gmx-users] Pore Size   Sanket Ghawali
  • [gmx-users] Pore Size   Pierre Ghesquiere
• [gmx-users] How to decrease the time gap between frames of an already made simulation   Marko Sever
• [gmx-users] How to remove ions from, and from which file in the finished simulation?   Marko Sever
  • [gmx-users] How to remove ions from, and from which file in the finished simulation?   Justin Lemkul
• [gmx-users] Negative pressure in an interface NVT simulation   Surya Prakash Tiwari
• [gmx-users] RMSDs between pairs of frames in 2 trajectories   Abramyan, Tigran
• [gmx-users] Difference between POPI and DOPI membranes? and about lipid headgroups   Mijiddorj Batsaikhan
  • [gmx-users] Difference between POPI and DOPI membranes? and about lipid headgroups   jkrieger at mrc-lmb.cam.ac.uk
• [gmx-users] Pore Size   Sanket Ghawali
• [gmx-users] Carbon double bond in Gromos   Faust SHI
  • [gmx-users] Carbon double bond in Gromos   Sotirios Dionysios I. Papadatos
• [gmx-users] gromacs 2016 make check errors...   Anna Vernon
• [gmx-users] make check error   Anna Vernon
  • [gmx-users] make check error   Mark Abraham
    • [gmx-users] make check error   Anna Vernon
      • [gmx-users] make check error   Mark Abraham
      • [gmx-users] make check error   Anna Vernon
      • [gmx-users] make check error   Mark Abraham
      • [gmx-users] make check error   Anna Vernon
      • [gmx-users] make check error   Mark Abraham
• [gmx-users] Difference between POPI and DOPI membranes? and about lipid headgroups   Mijiddorj Batsaikhan
  • [gmx-users] Difference between POPI and DOPI membranes? and about lipid headgroups   jkrieger at mrc-lmb.cam.ac.uk
• [gmx-users] QM/MM   Adamu, Aliyu
• [gmx-users] Constraint COM of water droplet at specific position with Umbrella sampling simulation   Bui, Tai
• [gmx-users] Mac Support   Reza Esmaeili
  • [gmx-users] Mac Support   Mark Abraham
    • [gmx-users] Mac Support   Felipe Merino
      • [gmx-users] Mac Support   Szilárd Páll
      • [gmx-users] Mac Support   Mark Abraham
  • [gmx-users] Mac Support   Szilárd Páll
• [gmx-users] QM/MM (Adamu, Aliyu)   Groenhof, Gerrit
• [gmx-users] mdp file of membrane simulation   Mijiddorj Batsaikhan
  • [gmx-users] mdp file of membrane simulation   Justin Lemkul
• [gmx-users] gmx velacc does not calculate on "too often saved" files?   Jones de Andrade
  • [gmx-users] Fwd: gmx velacc does not calculate on "too often saved" files?   Jones de Andrade
• [gmx-users] Dielectric constant   Thejus Kartha
  • [gmx-users] Dielectric constant   Justin Lemkul
• [gmx-users] mdp file of membrane simulation   Mijiddorj Batsaikhan
• [gmx-users] Dielectric constant   Justin Lemkul
  • [gmx-users] Dielectric constant   Thejus Kartha
    • [gmx-users] Dielectric constant   Justin Lemkul
• [gmx-users] Normal mode analysis in solvent: Hessian of protein only   Rachel Baarda
• [gmx-users] gromacs 4.6 mpirun mdrun_mpi poor output performance   shubhandra tripathi
  • [gmx-users] gromacs 4.6 mpirun mdrun_mpi poor output performance   Mark Abraham
• [gmx-users] Fwd: make check error   Anna Lappala
  • [gmx-users] Fwd: make check error   Mark Abraham
    • [gmx-users] Fwd: make check error   Anna Vernon
      • [gmx-users] Fwd: make check error   Mark Abraham
• [gmx-users] Switching Group to Verlet   Mahmood Naderan
  • [gmx-users] Switching Group to Verlet   Mahmood Naderan
    • [gmx-users] Switching Group to Verlet   Mark Abraham
      • [gmx-users] Switching Group to Verlet   Mahmood Naderan
      • [gmx-users] Switching Group to Verlet   Mark Abraham
      • [gmx-users] Switching Group to Verlet   Mahmood Naderan
      • [gmx-users] Switching Group to Verlet   Mark Abraham
      • [gmx-users] Switching Group to Verlet   Mahmood Naderan
      • [gmx-users] Switching Group to Verlet   Mark Abraham
      • [gmx-users] Switching Group to Verlet   Mahmood Naderan
      • [gmx-users] Switching Group to Verlet   Mahmood Naderan
      • [gmx-users] Switching Group to Verlet   Mario Fernández Pendás
      • [gmx-users] Switching Group to Verlet   Mark Abraham
      • [gmx-users] Switching Group to Verlet   Mahmood Naderan
      • [gmx-users] Switching Group to Verlet   Mark Abraham
      • [gmx-users] Switching Group to Verlet   Mahmood Naderan
      • [gmx-users] Switching Group to Verlet   Mahmood Naderan
      • [gmx-users] Switching Group to Verlet   Mark Abraham
      • [gmx-users] Switching Group to Verlet   Mahmood Naderan
• [gmx-users] Re-center the trajectory   gozde ergin
• [gmx-users] Bond distance and H bonds   Sameer Edirisinghe
• [gmx-users] Error in mdrun   Harimuthu
  • [gmx-users] Error in mdrun   Justin Lemkul
• [gmx-users] D-amino acids' force fields   Mijiddorj Batsaikhan
  • [gmx-users] D-amino acids' force fields   Tsjerk Wassenaar
• [gmx-users] Bond distance and H bond   Sameer Edirisinghe
  • [gmx-users] Bond distance and H bond   Samith Rathnayake
• [gmx-users] nt/ntmpi/ntomp   Mahmood Naderan
  • [gmx-users] nt/ntmpi/ntomp   Mark Abraham
• [gmx-users] gromacs.org_gmx-users Digest, Vol 150, Issue 98   Harimuthu
  • [gmx-users] gromacs.org_gmx-users Digest, Vol 150, Issue 98   Harimuthu
• [gmx-users] Negative average pressure value after NPT equilibration   Dario Akaberi
  • [gmx-users] Negative average pressure value after NPT equilibration   Mark Abraham
    • [gmx-users] Negative average pressure value after NPT equilibration   Dario Akaberi
      • [gmx-users] Negative average pressure value after NPT equilibration   Dario Akaberi
      • [gmx-users] Negative average pressure value after NPT equilibration   Justin Lemkul
      • [gmx-users] Negative average pressure value after NPT equilibration   Dario Akaberi
      • [gmx-users] Negative average pressure value after NPT equilibration   Justin Lemkul
• [gmx-users] D-amino acids' force field   Mijiddorj Batsaikhan
• [gmx-users] renaming DILE to ILE for Charmm27?   Mijiddorj Batsaikhan
• [gmx-users] Minimization and Equilibration in PMF   Alex
  • [gmx-users] Minimization and Equilibration in PMF   Justin Lemkul
• [gmx-users] van Hove correlation function   Bin Li
• [gmx-users] renaming DILE to ILE for Charmm27?   Mijiddorj Batsaikhan
  • [gmx-users] renaming DILE to ILE for Charmm27?   Justin Lemkul
• [gmx-users] D-amino acids' force fields   Mijiddorj Batsaikhan
  • [gmx-users] D-amino acids' force fields   Tsjerk Wassenaar
• [gmx-users] Molecular dynamic simulations of Protein-DNA complex   Khadija Amine
  • [gmx-users] Molecular dynamic simulations of Protein-DNA complex   Erik Marklund
  • [gmx-users] Molecular dynamic simulations of Protein-DNA complex   Khadija Amine
    • [gmx-users] Molecular dynamic simulations of Protein-DNA complex   Mark Abraham
• [gmx-users] distance restraint   Mouri Ahmed
• [gmx-users] adding dithiothreitol to amber03   Irem Altan
  • [gmx-users] adding dithiothreitol to amber03   Mark Abraham
• [gmx-users] mpi.h fatal error.   Anna Vernon
  • [gmx-users] mpi.h fatal error.   Mark Abraham
• [gmx-users] mpi.h fatal error.   Anna Vernon
• [gmx-users] Restraint   Mouri Ahmed
• [gmx-users] restraint   Mouri Ahmed
  • [gmx-users] restraint   Justin Lemkul
    • [gmx-users] restraint   Mouri Ahmed
      • [gmx-users] restraint   Justin Lemkul
      • [gmx-users] restraint   Mouri Ahmed
• [gmx-users] gmx_mpi insert-molecules   shahab shariati
  • [gmx-users] gmx_mpi insert-molecules   Justin Lemkul
• [gmx-users] Structure Breaking during minimization   Apramita Chand
  • [gmx-users] Structure Breaking during minimization   Justin Lemkul
• [gmx-users] protein-protein complex gets "separated" in EM step   Gregor Hagelüken
  • [gmx-users] protein-protein complex gets "separated" in EM step   Justin Lemkul
    • [gmx-users] protein-protein complex gets "separated" in EM step   Gregor Hagelueken
• [gmx-users] Trouble compiling gromacs 5.1.2 with plumed 2.2.3   Anna Vernon
  • [gmx-users] Trouble compiling gromacs 5.1.2 with plumed 2.2.3   Mark Abraham
• [gmx-users] Free energy change   Alex
• [gmx-users] mdrun_mpi performance   Steve Seibold
  • [gmx-users] mdrun_mpi performance   Justin Lemkul
• [gmx-users] steinhardt order parameter   Sahithya Iyer
• [gmx-users] Fwd: Trouble compiling gromacs 5.1.2 with plumed 2.2.3   Anna Vernon
• [gmx-users] Center of mass   Mouri Ahmed
  • [gmx-users] Center of mass   Justin Lemkul
    • [gmx-users] Center of mass   Mouri Ahmed
• [gmx-users] Two different force field use in one simulation?   Mijiddorj Batsaikhan
  • [gmx-users] Two different force field use in one simulation?   Justin Lemkul
• [gmx-users] Partial charges correction from PRODRG   gozde ergin
  • [gmx-users] Partial charges correction from PRODRG   Justin Lemkul
• [gmx-users] Two different force field use in one simulation?   Mijiddorj Batsaikhan
  • [gmx-users] Two different force field use in one simulation?   Justin Lemkul
• [gmx-users] gromacs 4.6.7 patched with plumed 2.1.5 plumed replica exchange: The number of nodes (1) is not a multiple of the number of simulations (2)   Anna Vernon
• [gmx-users] HELP：how could the simulation restarted from md*_prev.cpt rather than the md*.cpt   张慧玲
  • [gmx-users] HELP：how could the simulation restarted from md*_prev.cpt rather than the md*.cpt   Billy Williams-Noonan
    • [gmx-users] HELP：how could the simulation restarted from md*_prev.cpt rather than the md*.cpt   Billy Williams-Noonan
  • [gmx-users] HELP：how could the simulation restarted from md*_prev.cpt rather than the md*.cpt   Justin Lemkul
• [gmx-users] US cycl. PMF WHAM   Jens Krüger
• [gmx-users] Structure breaking during minimization   Apramita Chand
  • [gmx-users] Structure breaking during minimization   Justin Lemkul
• [gmx-users] problem with -select flag in gmx distance   Irem Altan
  • [gmx-users] problem with -select flag in gmx distance   Justin Lemkul
• [gmx-users] Questions about free energy calculation tutorial   gozde ergin
  • [gmx-users] Questions about free energy calculation tutorial   Justin Lemkul
    • [gmx-users] Questions about free energy calculation tutorial   gozde ergin
      • [gmx-users] Questions about free energy calculation tutorial   Justin Lemkul
      • [gmx-users] Questions about free energy calculation tutorial   gozde ergin
• [gmx-users] Can't find alchemical-gromacs.py   CROUZY Serge 119222
  • [gmx-users] Can't find alchemical-gromacs.py   Justin Lemkul
• [gmx-users] Pulling error   faride badalkhani
• [gmx-users] Question about system equilibration   José Manuel Suárez Sierra
  • [gmx-users] Question about system equilibration   Justin Lemkul
• [gmx-users] Md simulation error   maria khan
  • [gmx-users] Md simulation error   Justin Lemkul
• [gmx-users] KALP15 in DPPC Analysis section   Sailesh Bataju
  • [gmx-users] KALP15 in DPPC Analysis section   Justin Lemkul
• [gmx-users] problem with backward to construct a CHARMM36 model   ABEL Stephane 175950
• [gmx-users] gromacs.org_gmx-users Digest, Vol 150, Issue 114   张慧玲
• [gmx-users] LINCS warming, but continued EM   Mijiddorj Batsaikhan
  • [gmx-users] LINCS warming, but continued EM   Justin Lemkul
• [gmx-users] Drude force field   Xianchi Dong
  • [gmx-users] Drude force field   Justin Lemkul
    • [gmx-users] Drude force field   Xianchi Dong
      • [gmx-users] Drude force field   Justin Lemkul
      • [gmx-users] Drude force field   Xianchi Dong
      • [gmx-users] Drude force field   Justin Lemkul
• [gmx-users] md simulation by gromacs.   maria khan
  • [gmx-users] md simulation by gromacs.   Justin Lemkul
• [gmx-users] pmf   Alex
  • [gmx-users] pmf   Justin Lemkul
    • [gmx-users] pmf   Alex
      • [gmx-users] pmf   Justin Lemkul
• [gmx-users] GROMACS 2016.1 released   Mark Abraham
• [gmx-users] gromacs.org_gmx-users Digest, Vol 150, Issue 114   张慧玲
• [gmx-users] HELP：how could the simulation restarted from md*_prev.cpt rather than the md*.cpt   张慧玲
  • [gmx-users] HELP：how could the simulation restarted from md*_prev.cpt rather than the md*.cpt   Justin Lemkul
• [gmx-users] GROMACS 2016.1 released   Nikhil Maroli
• [gmx-users] Md simulation error   maria khan
  • [gmx-users] Md simulation error   Justin Lemkul
• [gmx-users] LINCS warming, but continued EM   Mijiddorj Batsaikhan
  • [gmx-users] LINCS warming, but continued EM   Justin Lemkul
• [gmx-users] nvidia tesla p100   Irem Altan
  • [gmx-users] nvidia tesla p100   Mark Abraham
    • [gmx-users] nvidia tesla p100   Irem Altan
      • [gmx-users] nvidia tesla p100   Irem Altan
      • [gmx-users] nvidia tesla p100   Mark Abraham
      • [gmx-users] nvidia tesla p100   Irem Altan
      • [gmx-users] nvidia tesla p100   Mark Abraham
      • [gmx-users] nvidia tesla p100   Irem Altan
      • [gmx-users] nvidia tesla p100   Mark Abraham
• [gmx-users] Orienting molecule in a correct direction   faride badalkhani
  • [gmx-users] Orienting molecule in a correct direction   Justin Lemkul
• [gmx-users] Md simulation error.   maria khan
  • [gmx-users] Md simulation error.   Justin Lemkul
• [gmx-users] GROMACS 2016.1 released   Timofey Tyugashev
• [gmx-users] Fwd: Change in dihedral angle   Sudip Das
  • [gmx-users] Fwd: Change in dihedral angle   Justin Lemkul
• [gmx-users] QM/MM with gromacs 2016   Sylwia Kacprzak
• [gmx-users] Md simulation error..   maria khan
• [gmx-users] Bonds between P and O in bilayer head groups   Mijiddorj Batsaikhan
  • [gmx-users] Bonds between P and O in bilayer head groups   Justin Lemkul
• [gmx-users] Inhibitor charges   jonatas cunha
  • [gmx-users] Inhibitor charges   Justin Lemkul

Last message date: Mon Oct 31 23:58:40 CET 2016
Archived on: Mon Oct 31 23:58:42 CET 2016

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