April 2018 Archives by thread

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Starting: Sun Apr 1 02:07:51 CEST 2018
Ending: Mon Apr 30 23:03:17 CEST 2018
Messages: 504

• [gmx-users] Installation   Alex
  • [gmx-users] Installation   Kevin Boyd
• [gmx-users] Dielectric Constant   Iman Ahmadabadi
  • [gmx-users] Dielectric Constant   Alex
• [gmx-users] Problem with unwrap coordinates using the -pbc nojump flag   Μανώλης Σκούντζος
• [gmx-users] Centering the membrane for gmx h2order   Searle Duay
  • [gmx-users] Centering the membrane for gmx h2order   Mark Abraham
    • [gmx-users] Centering the membrane for gmx h2order   Searle Duay
• [gmx-users] Dose gpu support on flatbottom restraint   Bhupendra Dandekar
• [gmx-users] gmx potential   Shreyas Kaptan
  • [gmx-users] gmx potential   Mark Abraham
    • [gmx-users] gmx potential   Shreyas Kaptan
• [gmx-users] Compute average forces along a trajectory   Simone Orioli
  • [gmx-users] Compute average forces along a trajectory   Mark Abraham
    • [gmx-users] Compute average forces along a trajectory   Simone Orioli
• [gmx-users] only SimdUnitTests (Failed)   Alex
  • [gmx-users] only SimdUnitTests (Failed)   Mark Abraham
    • [gmx-users] only SimdUnitTests (Failed)   Alex
      • [gmx-users] only SimdUnitTests (Failed)   Mark Abraham
• [gmx-users] Possible to extract gro file from a tpr?   Viveca Lindahl
  • [gmx-users] Possible to extract gro file from a tpr?   Mark Abraham
• [gmx-users] Regarding calculation of Spatial Distribution Function   Dilip H N
  • [gmx-users] Regarding calculation of Spatial Distribution Function   Dilip H N
    • [gmx-users] Regarding calculation of Spatial Distribution Function   Mark Abraham
      • [gmx-users] Regarding calculation of Spatial Distribution Function   Christopher Neale
• [gmx-users] error in index file   abhisek Mondal
  • [gmx-users] error in index file   Joe Jordan
    • [gmx-users] error in index file   abhisek Mondal
      • [gmx-users] error in index file   Joe Jordan
      • [gmx-users] error in index file   abhisek Mondal
      • [gmx-users] error in index file   Joe Jordan
      • [gmx-users] error in index file   Justin Lemkul
• [gmx-users] Possible to extract gro file from a tpr?   ABEL Stephane
  • [gmx-users] Possible to extract gro file from a tpr?   Mark Abraham
• [gmx-users] Number of Xeon cores per GTX 1080Ti   Jochen Hub
  • [gmx-users] Number of Xeon cores per GTX 1080Ti   Szilárd Páll
    • [gmx-users] Number of Xeon cores per GTX 1080Ti   Jochen Hub
      • [gmx-users] Number of Xeon cores per GTX 1080Ti   Szilárd Páll
      • [gmx-users] Number of Xeon cores per GTX 1080Ti   Jochen Hub
      • [gmx-users] Number of Xeon cores per GTX 1080Ti   Szilárd Páll
• [gmx-users] gmx_mpi works in command line but not in script   Alex
  • [gmx-users] gmx_mpi works in command line but not in script   Mark Abraham
    • [gmx-users] gmx_mpi works in command line but not in script   Alex
      • [gmx-users] gmx_mpi works in command line but not in script   Mark Abraham
      • [gmx-users] gmx_mpi works in command line but not in script   Alex
      • [gmx-users] gmx_mpi works in command line but not in script   Mark Abraham
      • [gmx-users] gmx_mpi works in command line but not in script   Marc Hoemberger
      • [gmx-users] gmx_mpi works in command line but not in script   Alex
      • [gmx-users] gmx_mpi works in command line but not in script   Marc Hoemberger
      • [gmx-users] gmx_mpi works in command line but not in script   Mark Abraham
• [gmx-users] Performance   Szilárd Páll
• [gmx-users] Perturbing Proteins   Sanyam Kapoor
  • [gmx-users] Perturbing Proteins   Qasim Pars
    • [gmx-users] Perturbing Proteins   Joe Jordan
      • [gmx-users] Perturbing Proteins   Sanyam Kapoor
      • [gmx-users] Perturbing Proteins   Mark Abraham
      • [gmx-users] Perturbing Proteins   Sanyam Kapoor
      • [gmx-users] Perturbing Proteins   Mark Abraham
      • [gmx-users] Perturbing Proteins   Sanyam Kapoor
• [gmx-users] Problems with Ionic Liquid Simulations   Joshua Cummings
  • [gmx-users] Problems with Ionic Liquid Simulations   Justin Lemkul
• [gmx-users] gibbs free energy calculation   Raag Saluja
  • [gmx-users] gibbs free energy calculation   Mark Abraham
  • [gmx-users] gibbs free energy calculation   Justin Lemkul
• [gmx-users] gromacs paper   Tomaz Zorec
• [gmx-users] Fixing dssp images using m2p file   Alex Mathew
  • [gmx-users] Fixing dssp images using m2p file   Justin Lemkul
• [gmx-users] Problem with unwrap coordinates using the -pbc nojump flag   Μανώλης Σκούντζος
• [gmx-users] Number of Xeon cores per GTX 1080Ti   Raman Preet Singh
  • [gmx-users] Number of Xeon cores per GTX 1080Ti   Szilárd Páll
• [gmx-users] Xeon Phi's Re: Number of Xeon cores per GTX 1080Ti   Szilárd Páll
• [gmx-users] gibbs calculation: job.sh   Raag Saluja
  • [gmx-users] gibbs calculation: job.sh   Justin Lemkul
• [gmx-users] Dielectric Constant: Theory and Implementation   Iman Ahmadabadi
• [gmx-users] charmm-gui   m g
  • [gmx-users] charmm-gui   Justin Lemkul
• [gmx-users] Fwd: Implicit solvent simulations using GROMACS-2016   Sai Pooja
  • [gmx-users] Fwd: Implicit solvent simulations using GROMACS-2016   Mark Abraham
• [gmx-users] viscosity calculation using g_energy   Jo
  • [gmx-users] viscosity calculation using g_energy   David van der Spoel
    • [gmx-users] viscosity calculation using g_energy   Ali Ahmed
      • [gmx-users] viscosity calculation using g_energy   Ali Ahmed
      • [gmx-users] viscosity calculation using g_energy   David van der Spoel
      • [gmx-users] viscosity calculation using g_energy   Ali Ahmed
      • [gmx-users] viscosity calculation using g_energy   David van der Spoel
      • [gmx-users] viscosity calculation using g_energy   Jo
• [gmx-users] charmm-gui   m g
• [gmx-users] Problem with CUDA   Borchert, Christopher B ERDC-RDE-ITL-MS Contractor
  • [gmx-users] Problem with CUDA   Szilárd Páll
    • [gmx-users] Problem with CUDA   Borchert, Christopher B ERDC-RDE-ITL-MS Contractor
      • [gmx-users] Problem with CUDA   Szilárd Páll
      • [gmx-users] Problem with CUDA   Szilárd Páll
      • [gmx-users] Problem with CUDA   Borchert, Christopher B ERDC-RDE-ITL-MS Contractor
      • [gmx-users] Problem with CUDA   Szilárd Páll
      • [gmx-users] Problem with CUDA   Borchert, Christopher B ERDC-RDE-ITL-MS Contractor
      • [gmx-users] Problem with CUDA   Szilárd Páll
      • [gmx-users] Problem with CUDA   Borchert, Christopher B ERDC-RDE-ITL-MS Contractor
• [gmx-users] anyone have a development version or fork of gromacs that puts bonded interactions on the GPUs?   Christopher Neale
  • [gmx-users] anyone have a development version or fork of gromacs that puts bonded interactions on the GPUs?   Kevin Boyd
    • [gmx-users] anyone have a development version or fork of gromacs that puts bonded interactions on the GPUs?   Christopher Neale
      • [gmx-users] anyone have a development version or fork of gromacs that puts bonded interactions on the GPUs?   Mark Abraham
• [gmx-users] Speed up simulations with GROMACS with virtual interaction sites   ABEL Stephane
  • [gmx-users] Speed up simulations with GROMACS with virtual interaction sites   Anthony Nash
  • [gmx-users] Speed up simulations with GROMACS with virtual interaction sites   Viveca Lindahl
• [gmx-users] Speed up simulations with GROMACS with virtual interaction sites   ABEL Stephane
  • [gmx-users] Speed up simulations with GROMACS with virtual interaction sites   Anthony Nash
    • [gmx-users] Speed up simulations with GROMACS with virtual interaction sites   Erik Marklund
• [gmx-users] How to search answers for previous posts?   ZHANG Cheng
  • [gmx-users] How to search answers for previous posts?   Szilárd Páll
• [gmx-users] chain separator issue for the "gmx do_dssp": do NOT need to provide a "ss.map" file   ZHANG Cheng
  • [gmx-users] chain separator issue for the "gmx do_dssp": do NOT need to provide a "ss.map" file   ZHANG Cheng
• [gmx-users] Speed up simulations with GROMACS with virtual interaction sites   ABEL Stephane
• [gmx-users] using constant velocities during simulation   Qasim Pars
  • [gmx-users] using constant velocities during simulation   Mark Abraham
• [gmx-users] gmx select and gmx trjconv or gmx density   Dan Gil
  • [gmx-users] gmx select and gmx trjconv or gmx density   Mark Abraham
    • [gmx-users] gmx select and gmx trjconv or gmx density   Dan Gil
• [gmx-users] GROMACS 2018 MDRun: Multiple Ranks/GPU Issue   Hollingsworth, Bobby
  • [gmx-users] GROMACS 2018 MDRun: Multiple Ranks/GPU Issue   Szilárd Páll
• [gmx-users] High pressure in coarse-grained parametrization   Alex
  • [gmx-users] High pressure in coarse-grained parametrization   Mark Abraham
• [gmx-users] OPLS3 forcefield   Neha Gupta
  • [gmx-users] OPLS3 forcefield   Smith, Micholas D.
    • [gmx-users] OPLS3 forcefield   Alex
      • [gmx-users] OPLS3 forcefield   Krzysztof Kolman
• [gmx-users] help with orientation restraints   Hanin Omar
• [gmx-users] The problem of adding 4 peptides in CHARMM-GUI   m g
• [gmx-users] gibbs calculation   Raag Saluja
  • [gmx-users] gibbs calculation   Justin Lemkul
• [gmx-users] degrees of freedom and position restraint   Qasim Pars
• [gmx-users] golp-CHARMM   Sun Moon
• [gmx-users] problem in running job.sh for free energy calculations.   neelam wafa
  • [gmx-users] problem in running job.sh for free energy calculations.   Justin Lemkul
    • [gmx-users] problem in running job.sh for free energy calculations.   neelam wafa
      • [gmx-users] problem in running job.sh for free energy calculations.   neelam wafa
      • [gmx-users] problem in running job.sh for free energy calculations.   Justin Lemkul
      • [gmx-users] problem in running job.sh for free energy calculations.   neelam wafa
  • [gmx-users] problem in running job.sh for free energy calculations.   Mark Abraham
• [gmx-users] Carbon-Alpha RMSD Plots   jt555
  • [gmx-users] Carbon-Alpha RMSD Plots   Mark Abraham
• [gmx-users] -rerun with energygrps   Alex
  • [gmx-users] -rerun with energygrps   Mark Abraham
    • [gmx-users] -rerun with energygrps   Alex
    • [gmx-users] -rerun with energygrps   Alex
• [gmx-users] Freezing atoms, energy group exclusion and pressure calculation   Mateusz Bieniek
  • [gmx-users] Freezing atoms, energy group exclusion and pressure calculation   Mark Abraham
• [gmx-users] Regarding Coulomb-14 Energy   zaved at tezu.ernet.in
  • [gmx-users] Regarding Coulomb-14 Energy   Mark Abraham
• [gmx-users] Error when for gmx tune_pme on Cray   Viveca Lindahl
  • [gmx-users] Error when for gmx tune_pme on Cray   Kutzner, Carsten
    • [gmx-users] Error when for gmx tune_pme on Cray   Mark Abraham
      • [gmx-users] Error when for gmx tune_pme on Cray   Viveca Lindahl
      • [gmx-users] Error when for gmx tune_pme on Cray   Mark Abraham
      • [gmx-users] Error when for gmx tune_pme on Cray   Viveca Lindahl
      • [gmx-users] Error when for gmx tune_pme on Cray   Kutzner, Carsten
• [gmx-users] Membrane tutorial regarding,   RAHUL SURESH
  • [gmx-users] Membrane tutorial regarding,   Justin Lemkul
    • [gmx-users] Membrane tutorial regarding,   RAHUL SURESH
      • [gmx-users] Membrane tutorial regarding,   Justin Lemkul
      • [gmx-users] Membrane tutorial regarding,   RAHUL SURESH
• [gmx-users] GMX hbond   Dhumal, Nilesh
  • [gmx-users] GMX hbond   Justin Lemkul
    • [gmx-users] GMX hbond   Dhumal, Nilesh
      • [gmx-users] GMX hbond   Justin Lemkul
      • [gmx-users] GMX hbond   Dhumal, Nilesh
      • [gmx-users] GMX hbond   Justin Lemkul
• [gmx-users] Protein atomic charges modeling question   Thanh Le
  • [gmx-users] Protein atomic charges modeling question   Joe Jordan
• [gmx-users] affect of water removal on subsequent energy calculations   Harry Mark Greenblatt
  • [gmx-users] affect of water removal on subsequent energy calculations   Alex
    • [gmx-users] affect of water removal on subsequent energy calculations   Harry Mark Greenblatt
      • [gmx-users] affect of water removal on subsequent energy calculations   Alex
      • [gmx-users] affect of water removal on subsequent energy calculations   Harry Mark Greenblatt
      • [gmx-users] affect of water removal on subsequent energy calculations   Justin Lemkul
      • [gmx-users] affect of water removal on subsequent energy calculations   Mark Abraham
      • [gmx-users] affect of water removal on subsequent energy calculations   Alex
      • [gmx-users] affect of water removal on subsequent energy calculations   Justin Lemkul
      • [gmx-users] affect of water removal on subsequent energy calculations   Alex
• [gmx-users] Regarding getting the coordinates within certain region of amino-acid   Dilip.H.N
  • [gmx-users] Regarding getting the coordinates within certain region of amino-acid   Joe Jordan
  • [gmx-users] Regarding getting the coordinates within certain region of amino-acid   Marc Hoemberger
    • [gmx-users] Regarding getting the coordinates within certain region of amino-acid   Dilip.H.N
      • [gmx-users] Regarding getting the coordinates within certain region of amino-acid   Joe Jordan
      • [gmx-users] Regarding getting the coordinates within certain region of amino-acid   Dilip.H.N
      • [gmx-users] Regarding getting the coordinates within certain region of amino-acid   Joe Jordan
      • [gmx-users] Regarding getting the coordinates within certain region of amino-acid   Dilip.H.N
• [gmx-users] g_sans calculation   Alexey Shvetsov
• [gmx-users] bug in trjconv?   Harry Mark Greenblatt
  • [gmx-users] bug in trjconv?   Justin Lemkul
  • [gmx-users] bug in trjconv?   Mark Abraham
    • [gmx-users] bug in trjconv?   Harry Mark Greenblatt
• [gmx-users] RMSF started increasing after 60 ns simulation   MD
  • [gmx-users] RMSF started increasing after 60 ns simulation   Mark Abraham
    • [gmx-users] RMSF started increasing after 60 ns simulation   MD
  • [gmx-users] RMSF started increasing after 60 ns simulation   Justin Lemkul
    • [gmx-users] RMSF started increasing after 60 ns simulation   MD
      • [gmx-users] RMSF started increasing after 60 ns simulation   Justin Lemkul
      • [gmx-users] RMSF started increasing after 60 ns simulation   MD
      • [gmx-users] RMSF started increasing after 60 ns simulation   Justin Lemkul
      • [gmx-users] RMSF started increasing after 60 ns simulation   MD
      • [gmx-users] RMSF started increasing after 60 ns simulation   Justin Lemkul
      • [gmx-users] RMSF started increasing after 60 ns simulation   MD
      • [gmx-users] RMSF started increasing after 60 ns simulation   Justin Lemkul
      • [gmx-users] RMSF started increasing after 60 ns simulation   MD
      • [gmx-users] RMSF started increasing after 60 ns simulation   Justin Lemkul
      • [gmx-users] RMSF started increasing after 60 ns simulation   MD
      • [gmx-users] RMSF started increasing after 60 ns simulation   MD
      • [gmx-users] RMSF started increasing after 60 ns simulation   Justin Lemkul
• [gmx-users] Criteria used to get DIHEDRAL DISTRIBUTION at discrete points   sanjeet kumar singh ch16d012
  • [gmx-users] Criteria used to get DIHEDRAL DISTRIBUTION at discrete points   Justin Lemkul
• [gmx-users] Triclinic box of solvent   Pelin S Bulutoglu
• [gmx-users] How to post a reply on user list?   sanjeet kumar singh ch16d012
  • [gmx-users] How to post a reply on user list?   RAHUL SURESH
• [gmx-users] gromacs.org_gmx-users Digest, Vol 168, Issue 45   zaved at tezu.ernet.in
  • [gmx-users] gromacs.org_gmx-users Digest, Vol 168, Issue 45   Justin Lemkul
• [gmx-users] changing the time frame for simmulation   neelam wafa
  • [gmx-users] changing the time frame for simmulation   Justin Lemkul
    • [gmx-users] changing the time frame for simmulation   neelam wafa
      • [gmx-users] changing the time frame for simmulation   Justin Lemkul
      • [gmx-users] changing the time frame for simmulation   neelam wafa
• [gmx-users] GPU Command   zaved at tezu.ernet.in
  • [gmx-users] GPU Command   Mark Abraham
• [gmx-users] Formatting of spacing in .top and .itp files   Andrew DeYoung
  • [gmx-users] Formatting of spacing in .top and .itp files   Justin Lemkul
• [gmx-users] two peptides in simulation tend to stick together   MD
  • [gmx-users] two peptides in simulation tend to stick together   Justin Lemkul
    • [gmx-users] two peptides in simulation tend to stick together   MD
• [gmx-users] Gmx hbond   rose rahmani
  • [gmx-users] Gmx hbond   Justin Lemkul
• [gmx-users] Polarizability analysis   rose rahmani
  • [gmx-users] Polarizability analysis   Justin Lemkul
• [gmx-users] force field parameters for Fe3O4?   leila karami
  • [gmx-users] force field parameters for Fe3O4?   Paul bauer
    • [gmx-users] force field parameters for Fe3O4?   rose rahmani
      • [gmx-users] force field parameters for Fe3O4?   Paul bauer
      • [gmx-users] force field parameters for Fe3O4?   rose rahmani
      • [gmx-users] force field parameters for Fe3O4?   Justin Lemkul
• [gmx-users] trjconv ndec not working   Eric Smoll
• [gmx-users] trjconv ndec not working   Eric Smoll
  • [gmx-users] trjconv ndec not working   Joe Jordan
    • [gmx-users] trjconv ndec not working   Eric Smoll
      • [gmx-users] trjconv ndec not working   Paul Bauer
      • [gmx-users] trjconv ndec not working   Mark Abraham
      • [gmx-users] trjconv ndec not working   Eric Smoll
      • [gmx-users] trjconv ndec not working   Dawid das
      • [gmx-users] trjconv ndec not working   Dawid das
      • [gmx-users] trjconv ndec not working   Justin Lemkul
      • [gmx-users] simulation crash   Andrea Spitaleri
• [gmx-users] calculating pairwise interactions   Sahithya S Iyer
  • [gmx-users] calculating pairwise interactions   Mark Abraham
    • [gmx-users] calculating pairwise interactions   Sahithya S Iyer
    • [gmx-users] calculating pairwise interactions   Justin Lemkul
• [gmx-users] md simulation of circular rna   Atila Petrosian
  • [gmx-users] md simulation of circular rna   Viveca Lindahl
• [gmx-users] Free Energy calculatio   Anjali Patel
  • [gmx-users] Free Energy calculatio   Mark Abraham
• [gmx-users] Domain decomposition error   Dawid das
  • [gmx-users] Domain decomposition error   Justin Lemkul
    • [gmx-users] Domain decomposition error   Dawid das
• [gmx-users] Errors faced in reproducing simulation in Gromacs 2018.1 that works fine in v. 4.6.x   Neelima S.
• [gmx-users] Errors faced in reproducing simulation in Gromacs 2018.1 that works fine in v. 4.6.x   Neelima S.
• [gmx-users] build virus envelop   sunyeping
  • [gmx-users] build virus envelop   Justin Lemkul
• [gmx-users] Dihedral Angle Distribution   Anjana Jayasinghe
  • [gmx-users] Dihedral Angle Distribution   Justin Lemkul
    • [gmx-users] Dihedral Angle Distribution   Anjana Jayasinghe
      • [gmx-users] Dihedral Angle Distribution   Justin Lemkul
• [gmx-users] REMD Simulation   ISHRAT JAHAN
  • [gmx-users] Fwd: REMD Simulation   ISHRAT JAHAN
  • [gmx-users] REMD Simulation   Mark Abraham
• [gmx-users] Gmx_solvate   rose rahmani
  • [gmx-users] Gmx_solvate   Justin Lemkul
    • [gmx-users] Gmx_solvate   rose rahmani
      • [gmx-users] Gmx_solvate   Justin Lemkul
      • [gmx-users] Gmx_solvate   rose rahmani
      • [gmx-users] Gmx_solvate   Justin Lemkul
• [gmx-users] gromos54a7 - topolbuild   Alex
• [gmx-users] Definiting protonation in pdb2gmx input   mhuhtala at abo.fi
  • [gmx-users] Definiting protonation in pdb2gmx input   Justin Lemkul
    • [gmx-users] Definiting protonation in pdb2gmx input   mhuhtala at abo.fi
      • [gmx-users] Definiting protonation in pdb2gmx input   Justin Lemkul
      • [gmx-users] Definiting protonation in pdb2gmx input   mhuhtala at abo.fi
• [gmx-users] gromos54a7 - topolbuild   Ray, Bruce D
• [gmx-users] WARNING: Listed nonbonded interaction between particles X and Y at distance   faride badalkhani
  • [gmx-users] WARNING: Listed nonbonded interaction between particles X and Y at distance   Mark Abraham
• [gmx-users] calculating pairwise interactions   Nikhil Maroli
• [gmx-users] GPU Command   Nikhil Maroli
• [gmx-users] Free Energy calculation   Anjali Patel
• [gmx-users] CGenff parameters in gromacs but missing in charmm package   Fabian Keller
  • [gmx-users] CGenff parameters in gromacs but missing in charmm package   Justin Lemkul
• [gmx-users] CGenff parameters in gromacs but missing in charmm package   Fabian Keller
• [gmx-users] Installation of g_mmpbsa with Gromacs 2016.3   Hermann, Johannes
• [gmx-users] Error in full MD   ISHRAT JAHAN
  • [gmx-users] Error in full MD   RAHUL SURESH
    • [gmx-users] Error in full MD   ISHRAT JAHAN
• [gmx-users] installion of gromacs 5.07   SHAHEE ISLAM
  • [gmx-users] Fwd: installion of gromacs 5.07   SHAHEE ISLAM
  • [gmx-users] installion of gromacs 5.07   Mark Abraham
    • [gmx-users] installion of gromacs 5.07   SHAHEE ISLAM
      • [gmx-users] installion of gromacs 5.07   Mark Abraham
• [gmx-users] Error in gmx trjcat   Syed Azeem
  • [gmx-users] Error in gmx trjcat   Mark Abraham
• [gmx-users] Error in gmx trjcat   Syed Azeem
  • [gmx-users] Error in gmx trjcat   Mark Abraham
• [gmx-users] Issues using Implicit Solvent with Charmm 27   Juan José Galano Frutos
• [gmx-users] Error in gmx trjcat   Syed Azeem
  • [gmx-users] Error in gmx trjcat   Mark Abraham
• [gmx-users] CGenff parameters in gromacs but missing in charmm package   Fabian Keller
  • [gmx-users] CGenff parameters in gromacs but missing in charmm package   Justin Lemkul
• [gmx-users] 3dc warning   Eric Smoll
• [gmx-users] Length of a constrained bond   Eric Smoll
  • [gmx-users] Length of a constrained bond   Mark Abraham
• [gmx-users] Error in gmx trjcat   Syed Azeem
  • [gmx-users] Error in gmx trjcat   Mark Abraham
• [gmx-users] gmx wham (again)   Alex
  • [gmx-users] gmx wham (again)   Justin Lemkul
    • [gmx-users] gmx wham (again)   Alex
    • [gmx-users] gmx wham (again)   Alex
      • [gmx-users] gmx wham (again)   Justin Lemkul
      • [gmx-users] gmx wham (again)   Alex
      • [gmx-users] gmx wham (again)   Alex
      • [gmx-users] gmx wham (again)   Alex
      • [gmx-users] gmx wham (again)   Justin Lemkul
      • [gmx-users] gmx wham (again)   Alex
      • [gmx-users] gmx wham (again)   Alex
      • [gmx-users] gmx wham (again)   Justin Lemkul
      • [gmx-users] gmx wham (again)   Alex
  • [gmx-users] gmx wham (again)   Jochen Hub
• [gmx-users] GPU Command   zaved at tezu.ernet.in
  • [gmx-users] GPU Command   Hollingsworth, Bobby
• [gmx-users] Regarding Coulomb-14 Energy   zaved at tezu.ernet.in
  • [gmx-users] Regarding Coulomb-14 Energy   Mark Abraham
  • [gmx-users] Regarding Coulomb-14 Energy   Justin Lemkul
• [gmx-users] Error in gmx trjcat   Syed Azeem
• [gmx-users] Gromacs 2018 and 2018.1 bug? Atoms/molecules in freezegrps keep moving   Bui, Tai
  • [gmx-users] Gromacs 2018 and 2018.1 bug? Atoms/molecules in freezegrps keep moving   Mark Abraham
    • [gmx-users] Gromacs 2018 and 2018.1 bug? Atoms/molecules in freezegrps keep moving   Bui, Tai
• [gmx-users] v-rescale   Iman Ahmadabadi
• [gmx-users] Umbrella Sampling with water molecules flying away from the reference point   Ben Tam
• [gmx-users] PBC fix for visualization   Mohsen Ramezanpour
• [gmx-users] installing Gromacs on windows using cygwin   Hossein Geraili
• [gmx-users] installing Gromacs on windows using cygwin   Hossein Geraili
  • [gmx-users] installing Gromacs on windows using cygwin   Mark Abraham
    • [gmx-users] installing Gromacs on windows using cygwin   Hossein Geraili
      • [gmx-users] installing Gromacs on windows using cygwin   Mark Abraham
      • [gmx-users] installing Gromacs on windows using cygwin   Hossein Geraili
      • [gmx-users] installing Gromacs on windows using cygwin   Vytautas Rakeviius
• [gmx-users] Error with virtual sites   Ramon Crehuet
• [gmx-users] suggest journals   Rana Rehan Khalid
  • [gmx-users] suggest journals   Victor Rosas Garcia
• [gmx-users] How can I convert psf file to top   1185201182
  • [gmx-users] How can I convert psf file to top   Justin Lemkul
• [gmx-users] Running on multiple GPUs   Searle Duay
  • [gmx-users] Running on multiple GPUs   Hollingsworth, Bobby
    • [gmx-users] Running on multiple GPUs   Searle Duay
• [gmx-users] C-formats of forcefield file sections   Krzysztof Kolman
• [gmx-users] C-formats of forcefield file sections   Krzysztof Kolman
  • [gmx-users] C-formats of forcefield file sections   Justin Lemkul
    • [gmx-users] C-formats of forcefield file sections   Krzysztof Kolman
• [gmx-users] tracking position of single particle   Jo
  • [gmx-users] tracking position of single particle   Justin Lemkul
• [gmx-users] Fraction of trans dihedrals   Anjana Jayasinghe
  • [gmx-users] Fraction of trans dihedrals   Justin Lemkul
• [gmx-users] Gromacs 2018.1 and GROMACS Tutorial (Justin A. Lemkul)   Adarsh V. K.
  • [gmx-users] Gromacs 2018.1 and GROMACS Tutorial (Justin A. Lemkul)   Mark Abraham
• [gmx-users] Lincs Errors Crashing Simulation   Eric Smoll
  • [gmx-users] Lincs Errors Crashing Simulation   Mark Abraham
• [gmx-users] Well known domain decomposition   Alex
  • [gmx-users] Well known domain decomposition   Mark Abraham
    • [gmx-users] Well known domain decomposition   Alex
• [gmx-users] High rmsf value   SAYAN BHATTACHARJEE
  • [gmx-users] High rmsf value   Justin Lemkul
    • [gmx-users] High rmsf value   SAYAN BHATTACHARJEE
      • [gmx-users] High rmsf value   Justin Lemkul
• [gmx-users] Fundamental Units of MDS Package (time unit t = 48.88821 femtoseconds)   jt555
  • [gmx-users] Fundamental Units of MDS Package (time unit t = 48.88821 femtoseconds)   Mark Abraham
• [gmx-users] Error in GROMACS 2018.1 regression testing - "make check" gives "symbol lookup errors"   Steven Sheridan
• [gmx-users] How to resolve Inconsistent moves, Graphene sheet simulation with Gromacs 5.1.4   Edwine Tendong
  • [gmx-users] How to resolve Inconsistent moves, Graphene sheet simulation with Gromacs 5.1.4   Alex
    • [gmx-users] How to resolve Inconsistent moves, Graphene sheet simulation with Gromacs 5.1.4   Edwine Tendong
      • [gmx-users] How to resolve Inconsistent moves, Graphene sheet simulation with Gromacs 5.1.4   Alex
• [gmx-users] gmx not found   Huang, Tina
  • [gmx-users] gmx not found   Tina Huang
  • [gmx-users] gmx not found   Justin Lemkul
    • [gmx-users] gmx not found   Tina Huang
      • [gmx-users] gmx not found   Tina Huang
      • [gmx-users] gmx not found   Justin Lemkul
• [gmx-users] Predict Physical Properties of Novel Proteins   Academic Research
  • [gmx-users] Predict Physical Properties of Novel Proteins   Justin Lemkul
  • [gmx-users] Predict Physical Properties of Novel Proteins   Anthony Nash
• [gmx-users] Gromacs 2018.1 Errors while working with tutorial   Adarsh V. K.
  • [gmx-users] Gromacs 2018.1 Errors while working with tutorial   Justin Lemkul
• [gmx-users] partial charges leading to non-zero total charge/floating point arithmetic   Shayna Hilburg
  • [gmx-users] partial charges leading to non-zero total charge/floating point arithmetic   Justin Lemkul
• [gmx-users] Writing PDB file so that protonation state of HIS is explicit by name   Dawid das
  • [gmx-users] Writing PDB file so that protonation state of HIS is explicit by name   Justin Lemkul
    • [gmx-users] Writing PDB file so that protonation state of HIS is explicit by name   Dawid das
      • [gmx-users] Writing PDB file so that protonation state of HIS is explicit by name   Justin Lemkul
      • [gmx-users] Writing PDB file so that protonation state of HIS is explicit by name   Mark Abraham
• [gmx-users] Rotation in gmx traj   Iman Ahmadabadi
• [gmx-users] gmx_mpi -nt   Alex
  • [gmx-users] gmx_mpi -nt   Justin Lemkul
    • [gmx-users] gmx_mpi -nt   Alex
      • [gmx-users] gmx_mpi -nt   Justin Lemkul
      • [gmx-users] gmx_mpi -nt   Mark Abraham
• [gmx-users] (no subject)   rose rahmani
  • [gmx-users] (no subject)   Justin Lemkul
• [gmx-users] gmx traj output   Mohsen Ramezanpour
  • [gmx-users] gmx traj output   Justin Lemkul
    • [gmx-users] gmx traj output   Mohsen Ramezanpour
• [gmx-users] Gromacs 2018.1 Errors while working with tutorial; gromacs.org_gmx-users Digest, Vol 168, Issue 101   Adarsh V. K.
  • [gmx-users] Gromacs 2018.1 Errors while working with tutorial; gromacs.org_gmx-users Digest, Vol 168, Issue 101   Justin Lemkul
• [gmx-users] phosphotyrosine peptide   farial tavakoli
• [gmx-users] DNA strands are separated   spss4 at iacs.res.in
  • [gmx-users] DNA strands are separated   Peter Stern
    • [gmx-users] DNA strands are separated   spss4 at iacs.res.in
• [gmx-users] Fwd: DNA strands are separated   spss4 at iacs.res.in
• [gmx-users] Coulomb-14 Energy   zaved at tezu.ernet.in
  • [gmx-users] Coulomb-14 Energy   Mark Abraham
    • [gmx-users] Coulomb-14 Energy   David van der Spoel
• [gmx-users] Atomtype HC not found   Giordano Perini
  • [gmx-users] Atomtype HC not found   Mark Abraham
• [gmx-users] request   mmahmoudig at razi.tums.ac.ir
• [gmx-users] request   mmahmoudig at razi.tums.ac.ir
• [gmx-users] request   mmahmoudig at razi.tums.ac.ir
  • [gmx-users] request   Mark Abraham
• [gmx-users] water molecules crashing system   Shayna Hilburg
• [gmx-users] CG of molecule in water   Alex
  • [gmx-users] CG of molecule in water   Mark Abraham
• [gmx-users] Force Fields   Momin Ahmad
  • [gmx-users] Force Fields   Mark Abraham
    • [gmx-users] Force Fields   Momin Ahmad
      • [gmx-users] Force Fields   Mark Abraham
• [gmx-users] Topology file for amino acid   rose rahmani
• [gmx-users] Consult   ÁLVARO RODRIGO RUIZ FERNÁNDEZ
• [gmx-users] tilt angle between the axis of a protein normal to the membrane   Alex Mathew
• [gmx-users] Units within Packaged OPLS Force Field File (ffbonded.itp)   Matthew Howenstine
  • [gmx-users] Units within Packaged OPLS Force Field File (ffbonded.itp)   Justin Lemkul
    • [gmx-users] Units within Packaged OPLS Force Field File (ffbonded.itp)   Matthew Howenstine
• [gmx-users] Are multiquestion mails acceptable?   Daniel Brendle
  • [gmx-users] Are multiquestion mails acceptable?   Justin Lemkul
• [gmx-users] Problems with implementation of tabulated potentials of Buckingham function   Diego Andres Henao Gonzalez
• [gmx-users] strange GPU load distribution   Alex
  • [gmx-users] strange GPU load distribution   Szilárd Páll
    • [gmx-users] strange GPU load distribution   Alex
      • [gmx-users] strange GPU load distribution   Mark Abraham
      • [gmx-users] strange GPU load distribution   Alex
      • [gmx-users] strange GPU load distribution   Alex
      • [gmx-users] strange GPU load distribution   Mark Abraham
      • [gmx-users] strange GPU load distribution   Alex
      • [gmx-users] strange GPU load distribution   Mark Abraham
      • [gmx-users] strange GPU load distribution   Alex
      • [gmx-users] strange GPU load distribution   Alex
• [gmx-users] Gromacs 2018.1 Errors while working with tutorial; gromacs.org_gmx-users Digest, Vol 168, Issue 108   Adarsh V. K.
  • [gmx-users] Gromacs 2018.1 Errors while working with tutorial; gromacs.org_gmx-users Digest, Vol 168, Issue 108   Mark Abraham
• [gmx-users] Equilibration step in MD   SHYANTANI MAITI
• [gmx-users] Coulomb-14 Energy   zaved at tezu.ernet.in
• [gmx-users] Two pair_styles for same atomtypes   Sudip Das
• [gmx-users] Box size to be considered in editconf   SHYANTANI MAITI
  • [gmx-users] Box size to be considered in editconf   Justin Lemkul
• [gmx-users] Force fields   Alex
  • [gmx-users] Force fields   Alex
    • [gmx-users] Force fields   Mark Abraham
• [gmx-users] Domain decomposition error with -rerun   Sahithya S Iyer
  • [gmx-users] Domain decomposition error with -rerun   RAHUL SURESH
    • [gmx-users] Domain decomposition error with -rerun   Sahithya S Iyer
      • [gmx-users] Domain decomposition error with -rerun   RAHUL SURESH
      • [gmx-users] Domain decomposition error with -rerun   Sahithya S Iyer
      • [gmx-users] Domain decomposition error with -rerun   Mark Abraham
      • [gmx-users] Domain decomposition error with -rerun   Sahithya S Iyer
• [gmx-users] Dihedral parameters from QM and MM relaxed surface scans   Eric Smoll
  • [gmx-users] Dihedral parameters from QM and MM relaxed surface scans   Mark Abraham
    • [gmx-users] Dihedral parameters from QM and MM relaxed surface scans   Eric Smoll
      • [gmx-users] Dihedral parameters from QM and MM relaxed surface scans   Justin Lemkul
      • [gmx-users] Dihedral parameters from QM and MM relaxed surface scans   Eric Smoll
      • [gmx-users] Dihedral parameters from QM and MM relaxed surface scans   Justin Lemkul
• [gmx-users] Domain decomposition error with -rerun   Nikhil Maroli
• [gmx-users] structure factor   Jo
• [gmx-users] Heme topology   Ragothaman Yennamalli
  • [gmx-users] Heme topology   Justin Lemkul
• [gmx-users] gromacs.org_gmx-users Digest, Vol 167, Issue 139   SHYANTANI MAITI
• [gmx-users] Protein-protein complex regarding   RAHUL SURESH
  • [gmx-users] Protein-protein complex regarding   Justin Lemkul

Last message date: Mon Apr 30 23:03:17 CEST 2018
Archived on: Mon Apr 30 23:03:19 CEST 2018

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