July 2014 Archives by thread

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Starting: Tue Jul 1 00:15:03 CEST 2014
Ending: Thu Jul 31 20:18:44 CEST 2014
Messages: 819

• [gmx-users] grompp does not find atomtype   Justin Lemkul
  • [gmx-users] grompp does not find atomtype   Dawid das
    • [gmx-users] grompp does not find atomtype   Justin Lemkul
      • [gmx-users] grompp does not find atomtype   Dawid das
      • [gmx-users] grompp does not find atomtype   Justin Lemkul
      • [gmx-users] grompp does not find atomtype   Dawid das
      • [gmx-users] grompp does not find atomtype   Dawid das
      • [gmx-users] grompp does not find atomtype   Justin Lemkul
      • [gmx-users] grompp does not find atomtype   Justin Lemkul
• [gmx-users] dynamic selection memory allocation problem   Teemu Murtola
• [gmx-users] subscribe   Ananda Bhattacharjee
  • [gmx-users] subscribe   Rossen Apostolov
• [gmx-users] Thanks to the developers heroic efforts!   Mark Abraham
• [gmx-users] hydrogen bond auto correlation   Michael Brunsteiner
• [gmx-users] Structuropedia   Amjad Farooq
• [gmx-users] Ion additon   Harshkumar Singh
  • [gmx-users] Ion additon   Justin Lemkul
  • [gmx-users] Ion additon   Harshkumar Singh
    • [gmx-users] Ion additon   Justin Lemkul
• [gmx-users] obtaining .gro timeframe   Chetan Mahajan
  • [gmx-users] obtaining .gro timeframe   Justin Lemkul
    • [gmx-users] obtaining .gro timeframe   Chetan Mahajan
      • [gmx-users] obtaining .gro timeframe   Justin Lemkul
      • [gmx-users] obtaining .gro timeframe   Chetan Mahajan
      • [gmx-users] obtaining .gro timeframe   Justin Lemkul
      • [gmx-users] obtaining .gro timeframe   Chetan Mahajan
      • [gmx-users] obtaining .gro timeframe   Justin Lemkul
• [gmx-users] Inserting required no. of water using genbox -ci -nmol crashing   shivangi nangia
  • [gmx-users] Inserting required no. of water using genbox -ci -nmol crashing   Justin Lemkul
• [gmx-users] TOP file conversion   Andy Chao
  • [gmx-users] TOP file conversion   Justin Lemkul
• [gmx-users] Some basic questions about trajconv   Yip Yew Mun
• [gmx-users] error in grompp command   RINU KHATTRI
• [gmx-users] Changed order of molecules in top   Emma Ahlstrand
  • [gmx-users] Changed order of molecules in top   Justin Lemkul
    • [gmx-users] Changed order of molecules in top   Emma A
      • [gmx-users] Changed order of molecules in top   Justin Lemkul
      • [gmx-users] Changed order of molecules in top   Emma A
      • [gmx-users] Changed order of molecules in top   Justin Lemkul
• [gmx-users] [gmx-announce] GROMACS 5.0 official release   Luís Pereira
  • [gmx-users] [gmx-announce] GROMACS 5.0 official release   Mark Abraham
• [gmx-users] grompp erros   Linlin Sun
  • [gmx-users] grompp erros   Justin Lemkul
• [gmx-users] error in grompp command   ERASTOVA V.
  • [gmx-users] error in grompp command   RINU KHATTRI
    • [gmx-users] error in grompp command   Justin Lemkul
      • [gmx-users] error in grompp command   RINU KHATTRI
      • [gmx-users] error in grompp command   RINU KHATTRI
      • [gmx-users] error in grompp command   Chandan Choudhury
      • [gmx-users] error in grompp command   Justin Lemkul
• [gmx-users] restart the calculation----- checksum error   Guo, Yanan (IPC)
  • [gmx-users] restart the calculation----- checksum error   Justin Lemkul
• [gmx-users] Some basic questions about trajconv   ERASTOVA V.
• [gmx-users] Use trjconv in parallel,   ABEL Stephane 175950
  • [gmx-users] Use trjconv in parallel,   Carsten Kutzner
• [gmx-users] Use trjconv in parallel   ABEL Stephane 175950
  • [gmx-users] Use trjconv in parallel   Tsjerk Wassenaar
• [gmx-users] Problem with g_chi options   Anna Stopka
  • [gmx-users] Problem with g_chi options   Anna Stopka
    • [gmx-users] Problem with g_chi options   Justin Lemkul
      • [gmx-users] Problem with g_chi options   Anna Stopka
• [gmx-users] Graphene topology file   #SUKRITI GUPTA#
  • [gmx-users] Graphene topology file   Justin Lemkul
    • [gmx-users] Graphene topology file   #SUKRITI GUPTA#
      • [gmx-users] Graphene topology file   Justin Lemkul
    • [gmx-users] Graphene topology file   Dr. Vitaly Chaban
      • [gmx-users] Graphene topology file   abhijit Kayal
      • [gmx-users] Graphene topology file   #SUKRITI GUPTA#
      • [gmx-users] Graphene topology file   abhijit Kayal
      • [gmx-users] Graphene topology file   #SUKRITI GUPTA#
      • [gmx-users] Graphene topology file   abhijit Kayal
      • [gmx-users] Graphene topology file   #SUKRITI GUPTA#
      • [gmx-users] Graphene topology file   #SUKRITI GUPTA#
      • [gmx-users] Graphene topology file   abhijit Kayal
      • [gmx-users] Graphene topology file   #SUKRITI GUPTA#
      • [gmx-users] Graphene topology file   Justin Lemkul
      • [gmx-users] Graphene topology file   #SUKRITI GUPTA#
      • [gmx-users] Graphene topology file   Justin Lemkul
      • [gmx-users] Graphene topology file   #SUKRITI GUPTA#
      • [gmx-users] Graphene topology file   Justin Lemkul
      • [gmx-users] Graphene topology file   #SUKRITI GUPTA#
      • [gmx-users] Graphene topology file   Justin Lemkul
      • [gmx-users] Graphene topology file   #SUKRITI GUPTA#
      • [gmx-users] Graphene topology file   Justin Lemkul
      • [gmx-users] Graphene topology file   #SUKRITI GUPTA#
      • [gmx-users] Graphene topology file   Justin Lemkul
      • [gmx-users] Graphene topology file   #SUKRITI GUPTA#
      • [gmx-users] Graphene topology file   Justin Lemkul
      • [gmx-users] Graphene topology file   #SUKRITI GUPTA#
      • [gmx-users] Graphene topology file   #SUKRITI GUPTA#
      • [gmx-users] Graphene topology file   Justin Lemkul
• [gmx-users] CHARMM to GROMACS conversion and inclusion of bonded, non-standard residues and parameters   Nikolaos Michelarakis
  • [gmx-users] CHARMM to GROMACS conversion and inclusion of bonded, non-standard residues and parameters   Justin Lemkul
• [gmx-users] Requesting help on converting a CG (coarse grained) trajectory to a FG (fine grained) trajectory   Yip Yew Mun
  • [gmx-users] Requesting help on converting a CG (coarse grained) trajectory to a FG (fine grained) trajectory   Justin Lemkul
• [gmx-users] GROMACS 5.0 official release   Ali Khan
  • [gmx-users] GROMACS 5.0 official release   Mark Abraham
• [gmx-users] Regarding lipid topology   Venkat Reddy
  • [gmx-users] Regarding lipid topology   Dr. Vitaly Chaban
    • [gmx-users] Regarding lipid topology   Venkat Reddy
• [gmx-users] Gromacs 5.0 download   Harshkumar Singh
  • [gmx-users] Gromacs 5.0 download   Szilárd Páll
    • [gmx-users] Gromacs 5.0 download   Justin Lemkul
      • [gmx-users] Gromacs 5.0 download   Szilárd Páll
      • [gmx-users] Gromacs 5.0 download   Harshkumar Singh
• [gmx-users] [gmx-announce] GROMACS 5.0 official release   Szilárd Páll
• [gmx-users] Gromacs 5.0 download   Roland Schulz
  • [gmx-users] Gromacs 5.0 download   Harshkumar Singh
• [gmx-users] g_polystat sorts the eigen vector   Chandan Choudhury
  • [gmx-users] g_polystat sorts the eigen vector   Chandan Choudhury
• [gmx-users] Solvating protein in a CG representation - genbox problem   Carlos Navarrro Retamal
  • [gmx-users] Solvating protein in a CG representation - genbox roblem   Carlos Navarrro Retamal
• [gmx-users] Gromacs 5.0 download   Roland Schulz
• [gmx-users] Excess Heat of mixing   AMNINDER SINGH
  • [gmx-users] Excess Heat of mixing   Justin Lemkul
    • [gmx-users] Excess Heat of mixing   Amninder
• [gmx-users] regarding error during EM   dhaval patel
  • [gmx-users] regarding error during EM   Mark Abraham
• [gmx-users] conf.gro   RINU KHATTRI
  • [gmx-users] conf.gro   RINU KHATTRI
• [gmx-users] Incorrectly added water molecule by genbox.   Dawid das
  • [gmx-users] Incorrectly added water molecule by genbox.   Mark Abraham
    • [gmx-users] Incorrectly added water molecule by genbox.   Dawid das
      • [gmx-users] Incorrectly added water molecule by genbox.   Mark Abraham
• [gmx-users] use -maxwarn option   Urszula Uciechowska
  • [gmx-users] use -maxwarn option   Carsten Kutzner
  • [gmx-users] use -maxwarn option   Christian Wagner
• [gmx-users] Excess Heat of mixing   Michael Brunsteiner
• [gmx-users] Molecular Configuration of ionic liquids   Andy Chao
• [gmx-users] hardware setup for gmx   Michael Brunsteiner
  • [gmx-users] hardware setup for gmx   Szilárd Páll
• [gmx-users] gmx-5.0 features   Michael Brunsteiner
  • [gmx-users] gmx-5.0 features   Szilárd Páll
• [gmx-users] problem with calculating angles and dynamic selections   gigo
  • [gmx-users] problem with calculating angles and dynamic selections   Venkat Reddy
  • [gmx-users] problem with calculating angles and dynamic selections   Venkat Reddy
    • [gmx-users] problem with calculating angles and dynamic selections   Teemu Murtola
      • [gmx-users] problem with calculating angles and dynamic selections   gigo
• [gmx-users] Problems with NFS   Natalia Alveal F.
  • [gmx-users] Problems with NFS   Victor Rosas Garcia
    • [gmx-users] Problems with NFS   Natalia Alveal F.
      • [gmx-users] Problems with NFS   Victor Rosas Garcia
      • [gmx-users] Problems with NFS   Natalia Alveal F.
      • [gmx-users] Problems with NFS   Victor Rosas Garcia
      • [gmx-users] Problems with NFS   Mark Abraham
      • [gmx-users] Problems with NFS   Natalia Alveal F.
• [gmx-users] Cross correlation/Normalised covariance calculation problems   Bailey A.
• [gmx-users] Restarts with 5.0   Ali Khan
  • [gmx-users] Restarts with 5.0   Mark Abraham
    • [gmx-users] Restarts with 5.0   Ali Khan
• [gmx-users] Molecular Configuration of ionic liquids (Andy Chao)   Andrey Frolov
• [gmx-users] Difference between charmm22 and charmm27 force fields.   Dawid das
  • [gmx-users] Difference between charmm22 and charmm27 force fields.   Justin Lemkul
• [gmx-users] -extend problem   gromacs query
  • [gmx-users] -extend problem   Justin Lemkul
    • [gmx-users] -extend problem   gromacs query
      • [gmx-users] -extend problem   Justin Lemkul
      • [gmx-users] -extend problem   gromacs query
      • [gmx-users] -extend problem   Justin Lemkul
      • [gmx-users] -extend problem   gromacs query
      • [gmx-users] -extend problem   gromacs query
      • [gmx-users] 答复: -extend problem   #ZHANG HAIPING#
• [gmx-users] Inter-hydrogen bond half life   sidra rafi
• [gmx-users] why the energy items in gromacs is different from charmm?   wliu
  • [gmx-users] why the energy items in gromacs is different from charmm?   Mark Abraham
• [gmx-users] regarding group selection in output   RINU KHATTRI
  • [gmx-users] regarding group selection in output   Justin Lemkul
• [gmx-users] help with poor performance on gromacs on Cray linux   Mark Abraham
• [gmx-users] confout.gro   RINU KHATTRI
  • [gmx-users] confout.gro   Victor Rosas Garcia
    • [gmx-users] confout.gro   RINU KHATTRI
      • [gmx-users] confout.gro   Justin Lemkul
      • [gmx-users] confout.gro   RINU KHATTRI
      • [gmx-users] confout.gro   RINU KHATTRI
      • [gmx-users] confout.gro   RINU KHATTRI
      • [gmx-users] confout.gro   RINU KHATTRI
      • [gmx-users] confout.gro   RINU KHATTRI
      • [gmx-users] confout.gro   Justin Lemkul
      • [gmx-users] confout.gro   RINU KHATTRI
      • [gmx-users] confout.gro   RINU KHATTRI
      • [gmx-users] confout.gro   Justin Lemkul
      • [gmx-users] confout.gro   Justin Lemkul
• [gmx-users] Minimisation failure: The charge group moved more than the distance allowed by the domain decomposition   Vytautas Rakeviius
  • [gmx-users] Minimisation failure: The charge group moved more than the distance allowed by the domain decomposition   Justin Lemkul
• [gmx-users] [ pairs_nb ] in topology   Jin Zhang
• [gmx-users] question about Computational Electrophysiology   Tom
  • [gmx-users] question about Computational Electrophysiology   Carsten Kutzner
• [gmx-users] simulation at acid medium   donna at iflysib.unlp.edu.ar
  • [gmx-users] simulation at acid medium   Erik Marklund
    • [gmx-users] simulation at acid medium   donna at iflysib.unlp.edu.ar
      • [gmx-users] simulation at acid medium   Erik Marklund
      • [gmx-users] simulation at acid medium   donna at iflysib.unlp.edu.ar
      • [gmx-users] simulation at acid medium   Douglas Grahame
      • [gmx-users] simulation at acid medium   donna at iflysib.unlp.edu.ar
• [gmx-users] gromacs.org_gmx-users Digest, Vol 123, Issue 29   Tom
  • [gmx-users] gromacs.org_gmx-users Digest, Vol 123, Issue 29   Mark Abraham
• [gmx-users] Helix Twist   Natalia Alveal F.
  • [gmx-users] Helix Twist   Mark Abraham
• [gmx-users] Invalid order for directive atomtypes   Albert
  • [gmx-users] Invalid order for directive atomtypes   Mark Abraham
    • [gmx-users] Invalid order for directive atomtypes   Albert
• [gmx-users] What analysis do I need?   Batdorj Batsaikhan
  • [gmx-users] What analysis do I need?   Justin Lemkul
• [gmx-users] Replacing a molecule with multiple ions   Timothy Click
  • [gmx-users] Replacing a molecule with multiple ions   Mark Abraham
• [gmx-users] Constant pH simulations   Douglas Grahame
  • [gmx-users] Constant pH simulations   Ullmann, Thomas
• [gmx-users] GROMPP COMMAND   Andy Chao
  • [gmx-users] GROMPP COMMAND   abhijit Kayal
  • [gmx-users] GROMPP COMMAND   Justin Lemkul
• [gmx-users] Implementations of/similar to accelerated MD (aMD) in GROMACS   Manu Vajpai
  • [gmx-users] Implementations of/similar to accelerated MD (aMD) in GROMACS   Carsten Kutzner
• [gmx-users] Tutorial updates   Justin Lemkul
  • [gmx-users] Tutorial updates   Oliver Stueker
    • [gmx-users] Tutorial updates   Justin Lemkul
• [gmx-users] 1 gpu vs 2 gpu speedup   Harry Mark Greenblatt
  • [gmx-users] 1 gpu vs 2 gpu speedup   Szilárd Páll
    • [gmx-users] 1 gpu vs 2 gpu speedup   Harry Mark Greenblatt
      • [gmx-users] 1 gpu vs 2 gpu speedup   Szilárd Páll
• [gmx-users] 1 gpu vs 2 gpu speedup   Harry Mark Greenblatt
• [gmx-users] question about modified LJ combination rule   sujithkakkat .
  • [gmx-users] question about modified LJ combination rule   Justin Lemkul
• [gmx-users] centering molecule for movies   Neha Gandhi
  • [gmx-users] centering molecule for movies   Justin Lemkul
• [gmx-users] illegal instruction, core dumped   abbas yousefpour
  • [gmx-users] illegal instruction, core dumped   Justin Lemkul
• [gmx-users] Verlet AND tabulated potential   Tamas Karpati
  • [gmx-users] Verlet AND tabulated potential   Mark Abraham
    • [gmx-users] Verlet AND tabulated potential   Tamas Karpati
• [gmx-users] GROMACS 4.6.6 is released   Mark Abraham
• [gmx-users] Automated simulations with Gromacs: MD, BAR, Umbrella, Force Field conversion.   Andrey Frolov
• [gmx-users] strange but true : How to explain and avoid?   Chetan Mahajan
  • [gmx-users] strange but true : How to explain and avoid?   Justin Lemkul
    • [gmx-users] strange but true : How to explain and avoid?   Chetan Mahajan
      • [gmx-users] strange but true : How to explain and avoid?   Justin Lemkul
      • [gmx-users] strange but true : How to explain and avoid?   Chetan Mahajan
      • [gmx-users] strange but true : How to explain and avoid?   Tsjerk Wassenaar
      • [gmx-users] strange but true : How to explain and avoid?   Chetan Mahajan
      • [gmx-users] strange but true : How to explain and avoid?   Tsjerk Wassenaar
      • [gmx-users] strange but true : How to explain and avoid?   Chetan Mahajan
      • [gmx-users] strange but true : How to explain and avoid?   Justin Lemkul
      • [gmx-users] strange but true : How to explain and avoid?   Chetan Mahajan
      • [gmx-users] strange but true : How to explain and avoid?   Justin Lemkul
      • [gmx-users] strange but true : How to explain and avoid?   Tsjerk Wassenaar
      • [gmx-users] strange but true : How to explain and avoid?   Chetan Mahajan
      • [gmx-users] strange but true : How to explain and avoid?   Tsjerk Wassenaar
• [gmx-users] strange but true : How to explain and avoid?   Roland Schulz
• [gmx-users] Semiisotropic pcoupltype for liquid crystals   Todor Antonijevic
• [gmx-users] polarizable MARTINI water   Katie Maerzke
  • [gmx-users] polarizable MARTINI water   Tsjerk Wassenaar
    • [gmx-users] polarizable MARTINI water   Katie Maerzke
• [gmx-users] Requesting for Help on Hybrid CG-AA MD Simulations   Yip Yew Mun
  • [gmx-users] Requesting for Help on Hybrid CG-AA MD Simulations   ms
    • [gmx-users] Requesting for Help on Hybrid CG-AA MD Simulations   Maestre, Mitcheell
    • [gmx-users] Requesting for Help on Hybrid CG-AA MD Simulations   Maestre, Mitcheell
• [gmx-users] Problems in compiling GROMACS with VMD plugin   ming ma
• [gmx-users] Problems in compiling GROMACS with VMD plugin   Roland Schulz
• [gmx-users] gromacs.org_gmx-users Digest, Vol 123, Issue 49   ming ma
• [gmx-users] Cannot link to SIMD version when installing GMX4.6.6 on BG/P   Xingcheng Lin
  • [gmx-users] Cannot link to SIMD version when installing GMX4.6.6 on BG/P   lina
    • [gmx-users] Cannot link to SIMD version when installing GMX4.6.6 on BG/P   lina
  • [gmx-users] Cannot link to SIMD version when installing GMX4.6.6 on BG/P   Mark Abraham
• [gmx-users] how to quantify and visualize the flow of water into a protein   Thomas Evangelidis
  • [gmx-users] how to quantify and visualize the flow of water into a protein   Justin Lemkul
• [gmx-users] GPU tutorial   Raman Parkesh
  • [gmx-users] GPU tutorial   Chandan Choudhury
    • [gmx-users] GPU tutorial   Raman Parkesh
• [gmx-users] Regarding gmx gangle selection   Venkat Reddy
  • [gmx-users] Regarding gmx gangle selection   Venkat Reddy
    • [gmx-users] Regarding gmx gangle selection   Teemu Murtola
      • [gmx-users] Regarding gmx gangle selection   Venkat Reddy
• [gmx-users] polarizable water and non-polarizable alkanes   Yana Tsoneva
  • [gmx-users] polarizable water and non-polarizable alkanes   Justin Lemkul
• [gmx-users] parameters for Ag+ ions   Rebeca García Fandiño
• [gmx-users] Reducing the dimensionality of my cross correlation matrix   Bailey A.
  • [gmx-users] Reducing the dimensionality of my cross correlation matrix   Bailey A.
• [gmx-users] Problems in compiling GROMACS with VMD plugin (Roland Schulz)   ming ma
• [gmx-users] Error in system_inflate.gro coordinates does not match   RINU KHATTRI
  • [gmx-users] Error in system_inflate.gro coordinates does not match   Justin Lemkul
    • [gmx-users] Error in system_inflate.gro coordinates does not match   RINU KHATTRI
      • [gmx-users] Error in system_inflate.gro coordinates does not match   RINU KHATTRI
      • [gmx-users] Error in system_inflate.gro coordinates does not match   RINU KHATTRI
      • [gmx-users] Error in system_inflate.gro coordinates does not match   Justin Lemkul
      • [gmx-users] Error in system_inflate.gro coordinates does not match   RINU KHATTRI
      • [gmx-users] Error in system_inflate.gro coordinates does not match   RINU KHATTRI
      • [gmx-users] Error in system_inflate.gro coordinates does not match   Justin Lemkul
      • [gmx-users] Error in system_inflate.gro coordinates does not match   RINU KHATTRI
      • [gmx-users] Error in system_inflate.gro coordinates does not match   RINU KHATTRI
      • [gmx-users] Error in system_inflate.gro coordinates does not match   RINU KHATTRI
      • [gmx-users] Error in system_inflate.gro coordinates does not match   Dallas Warren
      • [gmx-users] Error in system_inflate.gro coordinates does not match   RINU KHATTRI
      • [gmx-users] Error in system_inflate.gro coordinates does not match   RINU KHATTRI
      • [gmx-users] Error in system_inflate.gro coordinates does not match   Justin Lemkul
      • [gmx-users] Error in system_inflate.gro coordinates does not match   RINU KHATTRI
      • [gmx-users] Error in system_inflate.gro coordinates does not match   Justin Lemkul
      • [gmx-users] Error in system_inflate.gro coordinates does not match   Dallas Warren
      • [gmx-users] Error in system_inflate.gro coordinates does not match   Justin Lemkul
      • [gmx-users] Error in system_inflate.gro coordinates does not match   RINU KHATTRI
      • [gmx-users] Error in system_inflate.gro coordinates does not match   RINU KHATTRI
      • [gmx-users] Error in system_inflate.gro coordinates does not match   RINU KHATTRI
      • [gmx-users] Error in system_inflate.gro coordinates does not match   Justin Lemkul
      • [gmx-users] Error in system_inflate.gro coordinates does not match   Justin Lemkul
      • [gmx-users] Error in system_inflate.gro coordinates does not match   RINU KHATTRI
      • [gmx-users] Error in system_inflate.gro coordinates does not match   Justin Lemkul
      • [gmx-users] Error in system_inflate.gro coordinates does not match   RINU KHATTRI
      • [gmx-users] Error in system_inflate.gro coordinates does not match   Justin Lemkul
      • [gmx-users] Error in system_inflate.gro coordinates does not match   RINU KHATTRI
      • [gmx-users] Error in system_inflate.gro coordinates does not match   Justin Lemkul
      • [gmx-users] Error in system_inflate.gro coordinates does not match   RINU KHATTRI
      • [gmx-users] Error in system_inflate.gro coordinates does not match   Justin Lemkul
      • [gmx-users] Error in system_inflate.gro coordinates does not match   RINU KHATTRI
      • [gmx-users] Error in system_inflate.gro coordinates does not match   Justin Lemkul
      • [gmx-users] Error in system_inflate.gro coordinates does not match   RINU KHATTRI
      • [gmx-users] Error in system_inflate.gro coordinates does not match   Justin Lemkul
      • [gmx-users] Error in system_inflate.gro coordinates does not match   RINU KHATTRI
      • [gmx-users] Error in system_inflate.gro coordinates does not match   Justin Lemkul
• [gmx-users] CHARMM to GROMACS conversion and inclusion of bonded, non-standard residues and parameters   Nikolaos Michelarakis
  • [gmx-users] CHARMM to GROMACS conversion and inclusion of bonded, non-standard residues and parameters   Justin Lemkul
• [gmx-users] Fwd: DSSP- error   Uma Devi
  • [gmx-users] Fwd: DSSP- error   Justin Lemkul
• [gmx-users] Passing group of solvent molecules by argument in genion   Marco Rougeth
  • [gmx-users] Passing group of solvent molecules by argument in genion   Justin Lemkul
    • [gmx-users] Passing group of solvent molecules by argument in genion   Marco Rougeth
• [gmx-users] CHARMM to GROMACS conversion and inclusion of bonded, non-standard residues and parameters   Nikolaos Michelarakis
  • [gmx-users] CHARMM to GROMACS conversion and inclusion of bonded, non-standard residues and parameters   Justin Lemkul
• [gmx-users] Regarding 'insolidangle' and some tools   Venkat Reddy
  • [gmx-users] Regarding 'insolidangle' and some tools   Teemu Murtola
    • [gmx-users] Regarding 'insolidangle' and some tools   Venkat Reddy
• [gmx-users] 3dc + GPU   Ondrej Kroutil
  • [gmx-users] 3dc + GPU   Mark Abraham
    • [gmx-users] 3dc + GPU   Ondrej Kroutil
      • [gmx-users] 3dc + GPU   Szilárd Páll
• [gmx-users] Question about "atom" field in .top / .itp file vs ffnonbonded.itp   Eric Smoll
  • [gmx-users] Question about "atom" field in .top / .itp file vs ffnonbonded.itp   Justin Lemkul
• [gmx-users] mdrun error messages   Andy Chao
  • [gmx-users] mdrun error messages   Mark Abraham
• [gmx-users] MDRUN error message   Andy Chao
  • [gmx-users] MDRUN error message   Justin Lemkul
• [gmx-users] Problems in compiling GROMACS with VMD plugin (Roland Schulz)   Roland Schulz
• [gmx-users] How to calculate the COM and box vectors in umbrella sampling   Maziya Ibrahim
  • [gmx-users] How to calculate the COM and box vectors in umbrella sampling   Justin Lemkul
    • [gmx-users] How to calculate the COM and box vectors in umbrella sampling   Maziya Ibrahim
      • [gmx-users] How to calculate the COM and box vectors in umbrella sampling   Justin Lemkul
• [gmx-users] Subtract structure to a trajectory   Marco Gerolin
  • [gmx-users] Subtract structure to a trajectory   James
    • [gmx-users] Subtract structure to a trajectory   Marco Gerolin
• [gmx-users] .top file molecules directive   Aranha, Michelle
  • [gmx-users] .top file molecules directive   Justin Lemkul
• [gmx-users] g_energy help   ANDRES ADOLFO ORTEGA GUERRERO
  • [gmx-users] g_energy help   Justin Lemkul
• [gmx-users] inconsistency in obtained temperature values by traj and g_energy tools   Rasoul Nasiri
  • [gmx-users] inconsistency in obtained temperature values by traj and g_energy tools   Justin Lemkul
    • [gmx-users] inconsistency in obtained temperature values by traj and g_energy tools   Rasoul Nasiri
      • [gmx-users] inconsistency in obtained temperature values by traj and g_energy tools   Justin Lemkul
      • [gmx-users] inconsistency in obtained temperature values by traj and g_energy tools   Rasoul Nasiri
      • [gmx-users] inconsistency in obtained temperature values by traj and g_energy tools   Justin Lemkul
      • [gmx-users] inconsistency in obtained temperature values by traj and g_energy tools   Rasoul Nasiri
      • [gmx-users] inconsistency in obtained temperature values by traj and g_energy tools   Justin Lemkul
      • [gmx-users] inconsistency in obtained temperature values by traj and g_energy tools   Rasoul Nasiri
      • [gmx-users] inconsistency in obtained temperature values by traj and g_energy tools   Tsjerk Wassenaar
      • [gmx-users] inconsistency in obtained temperature values by traj and g_energy tools   Rasoul Nasiri
      • [gmx-users] inconsistency in obtained temperature values by traj and g_energy tools   Tsjerk Wassenaar
      • [gmx-users] inconsistency in obtained temperature values by traj and g_energy tools   Rasoul Nasiri
      • [gmx-users] inconsistency in obtained temperature values by traj and g_energy tools   Justin Lemkul
      • [gmx-users] inconsistency in obtained temperature values by traj and g_energy tools   Rasoul Nasiri
      • [gmx-users] inconsistency in obtained temperature values by traj and g_energy tools   Justin Lemkul
      • [gmx-users] inconsistency in obtained temperature values by traj and g_energy tools   Rasoul Nasiri
      • [gmx-users] inconsistency in obtained temperature values by traj and g_energy tools   Justin Lemkul
      • [gmx-users] inconsistency in obtained temperature values by traj and g_energy tools   Rasoul Nasiri
• [gmx-users] gmx-5.0 does not seem to honour plus/minus signs in topology files   Michael Brunsteiner
  • [gmx-users] gmx-5.0 does not seem to honour plus/minus signs in topology files   Justin Lemkul
    • [gmx-users] gmx-5.0 does not seem to honour plus/minus signs in topology files   Tsjerk Wassenaar
      • [gmx-users] gmx-5.0 does not seem to honour plus/minus signs in topology files   Justin Lemkul
      • [gmx-users] gmx-5.0 does not seem to honour plus/minus signs in topology files   Mark Abraham
• [gmx-users] Interaction energy between helices   Natalia Alveal F.
  • [gmx-users] Interaction energy between helices   Justin Lemkul
    • [gmx-users] Interaction energy between helices   Natalia Alveal F.
• [gmx-users] Trouble with gmx distance   Justin Lemkul
  • [gmx-users] Trouble with gmx distance   Teemu Murtola
    • [gmx-users] Trouble with gmx distance   Justin Lemkul
• [gmx-users] Running job on GPUs   Nidhi Katyal
  • [gmx-users] Running job on GPUs   Szilárd Páll
  • [gmx-users] Running job on GPUs   Mark Abraham
• [gmx-users] g_wham and hist question   ANDRES ADOLFO ORTEGA GUERRERO
  • [gmx-users] g_wham and hist question   Justin Lemkul
• [gmx-users] (no subject)   elham tazikeh
• [gmx-users] g_saltbr analysis   elham tazikeh
  • [gmx-users] g_saltbr analysis   Justin Lemkul
• [gmx-users] scount.xvg analysis   elham tazikeh
  • [gmx-users] scount.xvg analysis   Justin Lemkul
  • [gmx-users] scount.xvg analysis   elham tazikeh
    • [gmx-users] scount.xvg analysis   Justin Lemkul
• [gmx-users] question about pdb2gmx   Tom
  • [gmx-users] question about pdb2gmx   Justin Lemkul
• [gmx-users] Gromacs and graphene sheets   Dr. Timothy Click
  • [gmx-users] Gromacs and graphene sheets   Justin Lemkul
• [gmx-users] regarding pdb   pratibha kapoor
  • [gmx-users] regarding pdb   Justin Lemkul
• [gmx-users] How To Turn Off Electrostatics Linearly in TI Simulations   Yip Yew Mun
  • [gmx-users] How To Turn Off Electrostatics Linearly in TI Simulations   Justin Lemkul
• [gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT   vivek sinha
  • [gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT   Justin Lemkul
    • [gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT   vivek sinha
      • [gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT   Justin Lemkul
      • [gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT   vivek sinha
      • [gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT   Justin Lemkul
      • [gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT   vivek sinha
      • [gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT   vivek sinha
      • [gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT   vivek sinha
      • [gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT   Justin Lemkul
      • [gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT   vivek sinha
      • [gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT   Justin Lemkul
      • [gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT   vivek sinha
      • [gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT   Justin Lemkul
      • [gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT   vivek sinha
      • [gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT   vivek sinha
      • [gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT   Dallas Warren
      • [gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT   vivek sinha
      • [gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT   Dallas Warren
• [gmx-users] Regarding constant force pulling   Singam Karthick
  • [gmx-users] Regarding constant force pulling   Justin Lemkul
• [gmx-users] Having Problem with Gromacs Regressiontests   Todor Antonijevic
  • [gmx-users] Having Problem with Gromacs Regressiontests   Justin Lemkul
    • [gmx-users] Having Problem with Gromacs Regressiontests   Todor Antonijevic
• [gmx-users] How To Turn Off Electrostatics Linearly in TI Simulations   Yip Yew Mun
  • [gmx-users] How To Turn Off Electrostatics Linearly in TI Simulations   Michael Shirts
• [gmx-users] Force GROMACS 5.0 to use GPU   Nizar
  • [gmx-users] Force GROMACS 5.0 to use GPU   Mirco Wahab
• [gmx-users] (no subject)   Yana Tsoneva
  • [gmx-users] (no subject)   Justin Lemkul
• [gmx-users] pdb2gmx   mirko busato
• [gmx-users] g_hbond   mirko busato
  • [gmx-users] g_hbond   Justin Lemkul
  • [gmx-users] g_hbond   Justin Lemkul
    • [gmx-users] g_hbond   mirko busato
      • [gmx-users] g_hbond   Erik Marklund
      • [gmx-users] g_hbond   Erik Marklund
• [gmx-users] g_hbond   mirko busato
• [gmx-users] perl script running   elham tazikeh
  • [gmx-users] perl script running   Mirco Wahab
• [gmx-users] limitation of no. of atoms in the .gro file   Sikandar Mashayak
  • [gmx-users] limitation of no. of atoms in the .gro file   Mark Abraham
    • [gmx-users] limitation of no. of atoms in the .gro file   Sikandar Mashayak
• [gmx-users] g_energy help   ANDRES ADOLFO ORTEGA GUERRERO
  • [gmx-users] g_energy help   Justin Lemkul
• [gmx-users] illegal instruction while using mdrun command   Andy Chao
  • [gmx-users] illegal instruction while using mdrun command   Mark Abraham
    • [gmx-users] illegal instruction while using mdrun command   Szilárd Páll
      • [gmx-users] illegal instruction while using mdrun command   Szilárd Páll
• [gmx-users] How can I add subsequent simulations?   Batdorj Batsaikhan
  • [gmx-users] How can I add subsequent simulations?   Dallas Warren
• [gmx-users] Gromacs - Dimer Simulation problems   Michael Carter
  • [gmx-users] Gromacs - Dimer Simulation problems   Kavyashree M
    • [gmx-users] Gromacs - Dimer Simulation problems   Michael Carter
• [gmx-users] .rtp file - how to define improper dihedrals?   Dawid das
  • [gmx-users] .rtp file - how to define improper dihedrals?   Justin Lemkul
• [gmx-users] CELLmicrocosmos neXt: 1st Call for Abstracts   Björn Sommer
• [gmx-users] more than 99,999 atoms in conf.gro   Sikandar Mashayak
  • [gmx-users] more than 99,999 atoms in conf.gro   Chandan Choudhury
    • [gmx-users] more than 99,999 atoms in conf.gro   Sikandar Mashayak
• [gmx-users] Going from OPLS-AA dihedrals to CHARMM22 dihedrals.   Dawid das
  • [gmx-users] Going from OPLS-AA dihedrals to CHARMM22 dihedrals.   Justin Lemkul
    • [gmx-users] Going from OPLS-AA dihedrals to CHARMM22 dihedrals.   Dawid das
      • [gmx-users] Going from OPLS-AA dihedrals to CHARMM22 dihedrals.   Justin Lemkul
      • [gmx-users] Going from OPLS-AA dihedrals to CHARMM22 dihedrals.   Dawid das
• [gmx-users] GPU build error   Sikandar Mashayak
  • [gmx-users] GPU build error   Szilárd Páll
• [gmx-users] my log file to the mdrun error message that on Tue 15, July...   Andy Chao
  • [gmx-users] my log file to the mdrun error message that on Tue 15, July...   Carsten Kutzner
  • [gmx-users] my log file to the mdrun error message that on Tue 15, July...   Szilárd Páll
• [gmx-users] mdrun error messages   Andy Chao
• [gmx-users] Simulation at high temperature   bharat gupta
  • [gmx-users] Simulation at high temperature   rajat desikan
    • [gmx-users] Simulation at high temperature   bharat gupta
• [gmx-users] PRODRG   Sarath Kumar Baskaran
  • [gmx-users] PRODRG   Justin Lemkul
• [gmx-users] Gromacs and graphene sheets   Timothy Click
  • [gmx-users] Gromacs and graphene sheets   Justin Lemkul
  • [gmx-users] Gromacs and graphene sheets   Timothy Click
    • [gmx-users] Gromacs and graphene sheets   Justin Lemkul
      • [gmx-users] Gromacs and graphene sheets   Timothy Click
      • [gmx-users] Gromacs and graphene sheets   Justin Lemkul
• [gmx-users] Normal Mode Analysis   xy21hb
• [gmx-users] Gromacs and graphene sheets   Timothy Click
• [gmx-users] the average value of the pressure   Mahboobeh Eslami
  • [gmx-users] the average value of the pressure   Justin Lemkul
    • [gmx-users] the average value of the pressure   Mahboobeh Eslami
• [gmx-users] Group vs Verlet pair-lists   leila salimi
  • [gmx-users] Group vs Verlet pair-lists   Justin Lemkul
    • [gmx-users] Group vs Verlet pair-lists   leila salimi
• [gmx-users] Group vs Verlet pair-lists   leila salimi
• [gmx-users] cutoff-sch​eme in CPU& GPU   leila salimi
  • [gmx-users] cutoff-sch​eme in CPU& GPU   Szilárd Páll
• [gmx-users] g_wham -sym question   ANDRES ADOLFO ORTEGA GUERRERO
• [gmx-users] Domain decomposition error with implicit solvent   Sapna Sarupria
• [gmx-users] Regarding segmentation fault in GPU_gromacs 4.6.1   DeBaJiT DeY
  • [gmx-users] Regarding segmentation fault in GPU_gromacs 4.6.1   Justin Lemkul
• [gmx-users] Segmentation fault after warning regarding Listed nonbonded interaction   Alexandre Barrozo
  • [gmx-users] Segmentation fault after warning regarding Listed nonbonded interaction   vivek sinha
    • [gmx-users] Segmentation fault after warning regarding Listed nonbonded interaction   Alexandre Barrozo
      • [gmx-users] Segmentation fault after warning regarding Listed nonbonded interaction   Justin Lemkul
• [gmx-users] Regarding Performance Tuning for GROMACS   vidhya sankar
  • [gmx-users] Regarding Performance Tuning for GROMACS   Justin Lemkul
    • [gmx-users] Regarding Performance Tuning for GROMACS   Szilárd Páll
• [gmx-users] Can't allocate memory problem   Yunlong Liu
  • [gmx-users] Can't allocate memory problem   Mark Abraham
    • [gmx-users] 答复: Can't allocate memory problem   Yunlong Liu
      • [gmx-users] 答复: Can't allocate memory problem   Szilárd Páll
      • [gmx-users] 答复: 答复: Can't allocate memory problem   Yunlong Liu
      • [gmx-users] 答复: 答复: Can't allocate memory problem   Szilárd Páll
    • [gmx-users] 答复: Can't allocate memory problem   Yunlong Liu
      • [gmx-users] 答复: Can't allocate memory problem   Szilárd Páll
• [gmx-users] Library file table.xvg not found in current dir nor in default directories   Steven Neumann
  • [gmx-users] Library file table.xvg not found in current dir nor in default directories   Steven Neumann
• [gmx-users] Where to locate the functional form of [ bonds ], [ angles ] and [ dihedrals ]?   Yip Yew Mun
  • [gmx-users] Where to locate the functional form of [ bonds ], [ angles ] and [ dihedrals ]?   Mark Abraham
• [gmx-users] water and alkanes with Drude oscillators   Yana Tsoneva
  • [gmx-users] water and alkanes with Drude oscillators   Justin Lemkul
• [gmx-users] Force GROMACS 5.0 to use GPU   Nizar
• [gmx-users] Force GROMACS 5.0 to use GPU   Nizar
• [gmx-users] convert amber to gromacs   Tom
  • [gmx-users] convert amber to gromacs   Justin Lemkul
• [gmx-users] No .atp file could be found error in KALP-15 in DPPC tutorial   sjubaer at purdue.edu
  • [gmx-users] No .atp file could be found error in KALP-15 in DPPC tutorial   Justin Lemkul
• [gmx-users] Domain Decomposition error with Implicit Solvent   Siva Dasetty
• [gmx-users] energy help   ANDRES ADOLFO ORTEGA GUERRERO
• [gmx-users] dihedraltype parameters   akari karin
• [gmx-users] Over Clocking CPU on GROMACS   Nizar
• [gmx-users] gromacs Bug?   ANDRES ADOLFO ORTEGA GUERRERO
  • [gmx-users] gromacs Bug?   Justin Lemkul
  • [gmx-users] gromacs Bug?   Dr. Vitaly Chaban
• [gmx-users] How to add multiple simulations?   Batdorj Batsaikhan
  • [gmx-users] How to add multiple simulations?   Justin Lemkul
• [gmx-users] g_select   Shima Arasteh
  • [gmx-users] Fw: g_select   Shima Arasteh
  • [gmx-users] g_select   Shima Arasteh
  • [gmx-users] g_select   Justin Lemkul
• [gmx-users] g_select   Shima Arasteh
• [gmx-users] number of coordinates in coordinate file does not match topology   Jonathan Saboury
  • [gmx-users] number of coordinates in coordinate file does not match topology   Justin Lemkul
• [gmx-users] rlistlong problem   Mostafa Javaheri
  • [gmx-users] rlistlong problem   Justin Lemkul
    • [gmx-users] rlistlong problem   Mostafa Javaheri
      • [gmx-users] rlistlong problem   Justin Lemkul
• [gmx-users] Re gromacs Bug?   ANDRES ADOLFO ORTEGA GUERRERO
  • [gmx-users] Re gromacs Bug?   Justin Lemkul
• [gmx-users] Need Help in Running Thermodynamic Integration (TI) Simulations   Yew Mun Yip
• [gmx-users] Can I use Ryckaert-Bellemans parameters to build a multiple dihedrals topology   rss
  • [gmx-users] Can I use Ryckaert-Bellemans parameters to build a multiple dihedrals topology   Mark Abraham
• [gmx-users] Residues in rtp file   Dibyajyoti
  • [gmx-users] Residues in rtp file   Justin Lemkul
• [gmx-users] How to add multiple simulations?   Justin Lemkul
• [gmx-users] Re gromacs Bug?   ANDRES ADOLFO ORTEGA GUERRERO
• [gmx-users] g_wham tpr files   ANDRES ADOLFO ORTEGA GUERRERO
  • [gmx-users] g_wham tpr files   Justin Lemkul
• [gmx-users] Domain Decomposition error with Implicit Solvent   Siva Dasetty
  • [gmx-users] Domain Decomposition error with Implicit Solvent   Mark Abraham
    • [gmx-users] Domain Decomposition error with Implicit Solvent   Siva Dasetty
• [gmx-users] water and alkanes with Drude oscillators   Yana Tsoneva
  • [gmx-users] water and alkanes with Drude oscillators   Justin Lemkul
• [gmx-users] Can I use Ryckaert-Bellemans parameters to build a multiple dihedrals topology   Leo Bian
• [gmx-users] Simulation of Glass Surfaces?   AJ Lanphere
  • [gmx-users] Simulation of Glass Surfaces?   David van der Spoel
• [gmx-users] Help Energy Diferences   ANDRES ADOLFO ORTEGA GUERRERO
  • [gmx-users] Help Energy Diferences   Justin Lemkul
    • [gmx-users] Help Energy Diferences   Mark Abraham
• [gmx-users] DOPG.itp   Ardeshir
• [gmx-users] Issues using tabulated potentials for coarse-grained simulation   Brian Yoo
  • [gmx-users] Issues using tabulated potentials for coarse-grained simulation   Mark Abraham
    • [gmx-users] Issues using tabulated potentials for coarse-grained simulation   Brian Yoo
      • [gmx-users] Issues using tabulated potentials for coarse-grained simulation   Mark Abraham
• [gmx-users] simulating multiple objects in the same box   ibrahim khalil
  • [gmx-users] simulating multiple objects in the same box   Justin Lemkul
• [gmx-users] Help Energy Diferences   ANDRES ADOLFO ORTEGA GUERRERO
• [gmx-users] Installing 5.0 on Cygwin - Getting error   John Doe
  • [gmx-users] Installing 5.0 on Cygwin - Getting error   Mirco Wahab
• [gmx-users] Installing 5.0 on Cygwin - Getting error   Roland Schulz
• [gmx-users] Installing 5.0 on Cygwin - Getting error   Roland Schulz
• [gmx-users] Git Gromacs Cygwin Build - Error   John Doe
• [gmx-users] Git Gromacs Cygwin Build - Error   Roland Schulz
• [gmx-users] Problem in Molecular dynamics of ligand protein complex in POPC lipid   neha bharti
  • [gmx-users] Problem in Molecular dynamics of ligand protein complex in POPC lipid   Justin Lemkul
• [gmx-users] simulating multiple objects in the same box   ibrahim khalil
  • [gmx-users] simulating multiple objects in the same box   Justin Lemkul
• [gmx-users] PAGE forcefiled in Gromacs?   Albert
  • [gmx-users] PAGE forcefiled in Gromacs?   Justin Lemkul
• [gmx-users] water and alkanes with Drude oscillators   Yana Tsoneva
  • [gmx-users] water and alkanes with Drude oscillators   Justin Lemkul
• [gmx-users] Obtaining Positive Energy Values for Both Potential and Total Energies   Yip Yew Mun
  • [gmx-users] Obtaining Positive Energy Values for Both Potential and Total Energies   Mark Abraham
    • [gmx-users] Obtaining Positive Energy Values for Both Potential and Total Energies   Justin Lemkul
• [gmx-users] Simulating beta-peptides   Venkat Reddy
  • [gmx-users] Simulating beta-peptides   Justin Lemkul
• [gmx-users] does not appear to contain CMakeLists.txt Error to compile GROMACS 4.6.3   leila salimi
  • [gmx-users] does not appear to contain CMakeLists.txt Error to compile GROMACS 4.6.3   Justin Lemkul
    • [gmx-users] does not appear to contain CMakeLists.txt Error to compile GROMACS 4.6.3   leila salimi
      • [gmx-users] does not appear to contain CMakeLists.txt Error to compile GROMACS 4.6.3   leila salimi
      • [gmx-users] does not appear to contain CMakeLists.txt Error to compile GROMACS 4.6.3   Justin Lemkul
      • [gmx-users] does not appear to contain CMakeLists.txt Error to compile GROMACS 4.6.3   leila salimi
• [gmx-users] GROMACS: Few questions   lswierczewski .
  • [gmx-users] GROMACS: Few questions   Justin Lemkul
    • [gmx-users] GROMACS: Few questions   lswierczewski .
      • [gmx-users] GROMACS: Few questions   Justin Lemkul
• [gmx-users] condition on MPI and GPU tasks   Sikandar Mashayak
  • [gmx-users] condition on MPI and GPU tasks   Szilárd Páll
• [gmx-users] Molecular Solid PBC problem   Guilherme Duarte Ramos Matos
  • [gmx-users] Molecular Solid PBC problem   Justin Lemkul
  • [gmx-users] Molecular Solid PBC problem   Dr. Vitaly Chaban
• [gmx-users] about cos-accelation   Hyunjin Kim
  • [gmx-users] about cos-accelation   Dr. Vitaly Chaban
• [gmx-users] g_energy questions   Andy Chao
  • [gmx-users] g_energy questions   Justin Lemkul
• [gmx-users] Angle group   Cyrus Djahedi
  • [gmx-users] Angle group   Dr. Vitaly Chaban
    • [gmx-users] Angle group   Justin Lemkul
• [gmx-users] Fwd: Diffusion coefficient of metal complex   Meena Singh
• [gmx-users] Diffusion coefficient of metal complex   Meena Singh
  • [gmx-users] Diffusion coefficient of metal complex   Justin Lemkul
• [gmx-users] coulomb interactions with zero charge atoms   Sikandar Mashayak
  • [gmx-users] coulomb interactions with zero charge atoms   Mark Abraham
• [gmx-users] Lennard-Jones potential not matching with published data   ibrahim khalil
  • [gmx-users] Lennard-Jones potential not matching with published data   Justin Lemkul
  • [gmx-users] Lennard-Jones potential not matching with published data   Elton Carvalho
    • [gmx-users] Lennard-Jones potential not matching with published data   Justin Lemkul
      • [gmx-users] Lennard-Jones potential not matching with published data   Elton Carvalho
• [gmx-users] Pull code with dummy atom as reference - not working   Stella Nickerson
  • [gmx-users] Pull code with dummy atom as reference - not working   Justin Lemkul
    • [gmx-users] Pull code with dummy atom as reference - not working   Stella Nickerson
      • [gmx-users] Pull code with dummy atom as reference - not working   Justin Lemkul
• [gmx-users] genion question   ANDRES ADOLFO ORTEGA GUERRERO
  • [gmx-users] genion question   Justin Lemkul
• [gmx-users] Urea induced denaturation   Douglas Grahame
  • [gmx-users] Urea induced denaturation   Justin Lemkul
    • [gmx-users] Urea induced denaturation   Douglas Grahame
• [gmx-users] Where to locate the functional form of [ bonds ], [ angles ] and [ dihedrals ]?   Yip Yew Mun
• [gmx-users] g_energy definition   Andy Chao
  • [gmx-users] g_energy definition   Justin Lemkul
• [gmx-users] Domain Decomposition error with Implicit Solvent   Siva Dasetty
• [gmx-users] Fwd: Obtaining Positive Energy Values for Both Potential and Total Energies   Mark Abraham
• [gmx-users] Angle group   Cyrus Djahedi
  • [gmx-users] Angle group   Justin Lemkul
• [gmx-users] Fw:Normal Mode Analysis   xy21hb
• [gmx-users] continuation run segmentation fault   David de Sancho
  • [gmx-users] continuation run segmentation fault   Szilárd Páll
• [gmx-users] gromacs.org_gmx-users Digest, Vol 123, Issue 124: reply to message 1   Guilherme Duarte Ramos Matos
• [gmx-users] Gromacs performance on virtual servers   Elton Carvalho
  • [gmx-users] Gromacs performance on virtual servers   Mark Abraham
    • [gmx-users] Gromacs performance on virtual servers   Szilárd Páll
      • [gmx-users] Gromacs performance on virtual servers   Mark Abraham
      • [gmx-users] Gromacs performance on virtual servers   Szilárd Páll
• [gmx-users] how to compile and make a C analyzing code under GROMACS 5.0   qiaobf
  • [gmx-users] how to compile and make a C analyzing code under GROMACS 5.0   Mark Abraham
  • [gmx-users] how to compile and make a C analyzing code under GROMACS 5.0   qiaobf
    • [gmx-users] how to compile and make a C analyzing code under GROMACS 5.0   Mark Abraham
      • [gmx-users] how to compile and make a C analyzing code under GROMACS 5.0   Teemu Murtola
    • [gmx-users] how to compile and make a C analyzing code under GROMACS 5.0   qiaobf
• [gmx-users] time accounting in log file with GPU   Sikandar Mashayak
  • [gmx-users] time accounting in log file with GPU   Mark Abraham
    • [gmx-users] time accounting in log file with GPU   Sikandar Mashayak
      • [gmx-users] time accounting in log file with GPU   Szilárd Páll
      • [gmx-users] time accounting in log file with GPU   Sikandar Mashayak
      • [gmx-users] time accounting in log file with GPU   Mark Abraham
      • [gmx-users] time accounting in log file with GPU   Sikandar Mashayak
• [gmx-users] Gromacs performance on virtual servers   Szilárd Páll
• [gmx-users] Re grompp and mdrun output files   Melsa Rose Ducut
  • [gmx-users] Re grompp and mdrun output files   Giuseppina La Sala
• [gmx-users] g_cluster analysis for structure refirement   James Starlight
  • [gmx-users] g_cluster analysis for structure refirement   Tsjerk Wassenaar
    • [gmx-users] g_cluster analysis for structure refirement   James Starlight
      • [gmx-users] g_cluster analysis for structure refirement   Thomas Evangelidis
      • [gmx-users] g_cluster analysis for structure refirement   James Starlight
• [gmx-users] Groups in index.ndx   INPE (Ingrid Viveka Pettersson)
  • [gmx-users] Groups in index.ndx   Justin Lemkul
    • [gmx-users] Groups in index.ndx   INPE (Ingrid Viveka Pettersson)
  • [gmx-users] Groups in index.ndx   Nidhi Katyal
• [gmx-users] Angle group   Cyrus Djahedi
  • [gmx-users] Angle group   Justin Lemkul
• [gmx-users] hints for core/shell optimization?   Tamas Karpati
  • [gmx-users] hints for core/shell optimization?   Justin Lemkul
    • [gmx-users] hints for core/shell optimization?   Tamas Karpati
      • [gmx-users] hints for core/shell optimization?   Justin Lemkul
      • [gmx-users] hints for core/shell optimization?   Tamas Karpati
      • [gmx-users] hints for core/shell optimization?   Justin Lemkul
      • [gmx-users] hints for core/shell optimization?   Tamas Karpati
      • [gmx-users] hints for core/shell optimization?   Justin Lemkul
      • [gmx-users] hints for core/shell optimization?   Tamas Karpati
      • [gmx-users] hints for core/shell optimization?   Tamas Karpati
      • [gmx-users] hints for core/shell optimization?   Justin Lemkul
      • [gmx-users] hints for core/shell optimization?   Tamas Karpati
      • [gmx-users] hints for core/shell optimization?   Justin Lemkul
      • [gmx-users] hints for core/shell optimization?   Tamas Karpati
      • [gmx-users] hints for core/shell optimization?   Justin Lemkul
      • [gmx-users] hints for core/shell optimization?   Tamas Karpati
• [gmx-users] Lennard jones parameters for ions   #SUKRITI GUPTA#
  • [gmx-users] Lennard jones parameters for ions   Justin Lemkul
    • [gmx-users] Lennard jones parameters for ions   #SUKRITI GUPTA#
      • [gmx-users] Lennard jones parameters for ions   Justin Lemkul
  • [gmx-users] Lennard jones parameters for ions   Dr. Vitaly Chaban
• [gmx-users] Lennard jones parameters for metal ions   #SUKRITI GUPTA#
• [gmx-users] genbox_mpi and "Error: Invalid number of threads defined"   lswierczewski .
  • [gmx-users] genbox_mpi and "Error: Invalid number of threads defined"   Justin Lemkul
• [gmx-users] Can't run v. 4.6.6 on worker nodes if they are compiled with SIMD   Seyyed Mohtadin Hashemi
  • [gmx-users] Can't run v. 4.6.6 on worker nodes if they are compiled with SIMD   Seyyed Mohtadin Hashemi
    • [gmx-users] Can't run v. 4.6.6 on worker nodes if they are compiled with SIMD   Justin Lemkul
    • [gmx-users] Can't run v. 4.6.6 on worker nodes if they are compiled with SIMD   Seyyed Mohtadin Hashemi
  • [gmx-users] Can't run v. 4.6.6 on worker nodes if they are compiled with SIMD   Mark Abraham
    • [gmx-users] Can't run v. 4.6.6 on worker nodes if they are compiled with SIMD   Seyyed Mohtadin Hashemi
      • [gmx-users] Can't run v. 4.6.6 on worker nodes if they are compiled with SIMD   Mark Abraham
      • [gmx-users] Can't run v. 4.6.6 on worker nodes if they are compiled with SIMD   Seyyed Mohtadin Hashemi
• [gmx-users] electrostatics forces and van der waals forces calculation   Andy Chao
  • [gmx-users] electrostatics forces and van der waals forces calculation   Mark Abraham
• [gmx-users] lipid restrain   RINU KHATTRI
  • [gmx-users] lipid restrain   RINU KHATTRI
    • [gmx-users] lipid restrain   RINU KHATTRI
• [gmx-users] solvent molecules do not fill up the entire box   Maziya Ibrahim
• [gmx-users] PRODRG -cgnr   Atila Petrosian
  • [gmx-users] PRODRG -cgnr   Justin Lemkul
• [gmx-users] How do I get to know the meaning of the first column in log file?   Theodore Si
  • [gmx-users] How do I get to know the meaning of the first column in log file?   Mark Abraham
    • [gmx-users] How do I get to know the meaning of the first column in log file?   Theodore Si
      • [gmx-users] How do I get to know the meaning of the first column in log file?   Mark Abraham
      • [gmx-users] How do I get to know the meaning of the first column in log file?   Theodore Si
      • [gmx-users] How do I get to know the meaning of the first column in log file?   Mark Abraham
      • [gmx-users] How do I get to know the meaning of the first column in log file?   Theodore Si
      • [gmx-users] How do I get to know the meaning of the first column in log file?   Guillaume Chevrot
      • [gmx-users] How do I get to know the meaning of the first column in log file?   Theodore Si
• [gmx-users] Some columns in log file.   Theodore Si
  • [gmx-users] Some columns in log file.   Szilárd Páll
    • [gmx-users] Some columns in log file.   Theodore Si
      • [gmx-users] Some columns in log file.   Justin Lemkul
      • [gmx-users] Some columns in log file.   Theodore Si
• [gmx-users] PRODRG -cgnr   Atila Petrosian
  • [gmx-users] PRODRG -cgnr   Justin Lemkul
• [gmx-users] tpbconv tool change - gromacs 5.0   mattia B.
  • [gmx-users] tpbconv tool change - gromacs 5.0   Justin Lemkul
    • [gmx-users] tpbconv tool change - gromacs 5.0   mattia B.
• [gmx-users] IR spectra, X-ray diffraction   Cyrus Djahedi
• [gmx-users] FEP and equilibration problems   João Martins
• [gmx-users] PRODRG -cgnr   Atila Petrosian
  • [gmx-users] PRODRG -cgnr   Justin Lemkul
  • [gmx-users] PRODRG -cgnr   Atila Petrosian
    • [gmx-users] PRODRG -cgnr   Justin Lemkul
• [gmx-users] PRODRG -cgnr   Atila Petrosian
  • [gmx-users] PRODRG -cgnr   Justin Lemkul
    • [gmx-users] PRODRG -cgnr   Matthew D Kim
      • [gmx-users] PRODRG -cgnr   Matthew D Kim
• [gmx-users] subscription request   nicola staffolani
  • [gmx-users] subscription request   Justin Lemkul
• [gmx-users] maximum energy in ipnic liquid   Andy Chao
  • [gmx-users] maximum energy in ipnic liquid   Dr. Vitaly Chaban
• [gmx-users] Changing .mdp options in continuation run problems   Matthew D Kim
  • [gmx-users] Changing .mdp options in continuation run problems   Justin Lemkul
    • [gmx-users] Changing .mdp options in continuation run problems   Matthew D Kim
• [gmx-users] neighbor list   Sikandar Mashayak
  • [gmx-users] neighbor list   Mark Abraham
    • [gmx-users] neighbor list   Sikandar Mashayak
• [gmx-users] Details about using g_wham   Yoo Chan Myung
  • [gmx-users] Details about using g_wham   Dr. Vitaly Chaban
• [gmx-users] g_tcaf   Andy Chao
  • [gmx-users] g_tcaf   Justin Lemkul
• [gmx-users] g_select position variables   Cara Kreck
  • [gmx-users] g_select position variables   Teemu Murtola
• [gmx-users] measuring surface tension   Mass
• [gmx-users] !Help!: Normal Mode Analysis   xy21hb
  • [gmx-users] !Help!: Normal Mode Analysis   Yu Ogawa
• [gmx-users] No default Proper Dih. types   John Doe
• [gmx-users] Grompp not finding proper dihedral   John Doe
  • [gmx-users] Grompp not finding proper dihedral   Justin Lemkul
  • [gmx-users] Grompp not finding proper dihedral   RINU KHATTRI
    • [gmx-users] Grompp not finding proper dihedral   Justin Lemkul
• [gmx-users] Molecular solid NPT simulation problem   Guilherme Duarte Ramos Matos
• [gmx-users] POPC/POPC structures   Steven Neumann
  • [gmx-users] POPC/POPC structures   RINU KHATTRI
    • [gmx-users] POPC/POPC structures   Steven Neumann
  • [gmx-users] POPC/POPC structures   Justin Lemkul
• [gmx-users] Ligand moving during MD course.   Raju
  • [gmx-users] Ligand moving during MD course.   Thomas Evangelidis
• [gmx-users] hardware setup for gmx   Michael Brunsteiner
  • [gmx-users] hardware setup for gmx   Szilárd Páll
    • [gmx-users] hardware setup for gmx   Szilárd Páll
• [gmx-users] Grompp not finding proper dihedral   John Doe
• [gmx-users] Gromacs 5.0 compiles only with intel 13.1?   David Dotson
  • [gmx-users] Gromacs 5.0 compiles only with intel 13.1?   David van der Spoel
    • [gmx-users] Gromacs 5.0 compiles only with intel 13.1?   David Dotson
      • [gmx-users] Gromacs 5.0 compiles only with intel 13.1?   Szilárd Páll
      • [gmx-users] Gromacs 5.0 compiles only with intel 13.1?   David Dotson
• [gmx-users] gromacs   Meenakshi Rajput
  • [gmx-users] gromacs   HANNIBAL LECTER
    • [gmx-users] gromacs error   Urszula Uciechowska
      • [gmx-users] gromacs error   Justin Lemkul
      • [gmx-users] gromacs error   Urszula Uciechowska
      • [gmx-users] gromacs error   Justin Lemkul
      • [gmx-users] gromacs error   Urszula Uciechowska
      • [gmx-users] gromacs error   Justin Lemkul
  • [gmx-users] gromacs   Justin Lemkul
• [gmx-users] input error?   Urszula Uciechowska
  • [gmx-users] input error?   Justin Lemkul
• [gmx-users] hints for core/shell optimization?   Tamas Karpati
  • [gmx-users] hints for core/shell optimization?   Justin Lemkul
    • [gmx-users] hints for core/shell optimization?   Tamas Karpati

Last message date: Thu Jul 31 20:18:44 CEST 2014
Archived on: Thu Jul 31 20:18:46 CEST 2014

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