June 2014 Archives by thread

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Starting: Sun Jun 1 00:01:56 CEST 2014
Ending: Mon Jun 30 22:03:43 CEST 2014
Messages: 612

• [gmx-users] crystal, nrexcl   Chetan Mahajan
  • [gmx-users] crystal, nrexcl   Justin Lemkul
• [gmx-users] About free enrgy calculation   vidhya sankar
  • [gmx-users] About free enrgy calculation   Justin Lemkul
• [gmx-users] MD for extracellular and transmembrane system   rahul dhakne
  • [gmx-users] MD for extracellular and transmembrane system   Justin Lemkul
• [gmx-users] g_dielectric errors for getting frequency dependent dielectric constants   550931258 at qq.com
• [gmx-users] help needed   Chetan Mahajan
  • [gmx-users] help needed   Chetan Mahajan
    • [gmx-users] help needed   Mark Abraham
• [gmx-users] hydrogen bond analysis   sunyeping
• [gmx-users] Simplified picture: comments invited   Chetan Mahajan
  • [gmx-users] Simplified picture: comments invited   Mark Abraham
• [gmx-users] Why does the list keep unsubscribing me?   X Rules
  • [gmx-users] Why does the list keep unsubscribing me?   X Rules
    • [gmx-users] Why does the list keep unsubscribing me?   Mark Abraham
      • [gmx-users] Why does the list keep unsubscribing me?   X Rules
      • [gmx-users] Why does the list keep unsubscribing me?   Mark Abraham
      • [gmx-users] Why does the list keep unsubscribing me?   X Rules
• [gmx-users] Soln to visualised long molecule bonds across box in VMD   Dallas Warren
• [gmx-users] need you help - New user   Urszula Uciechowska
  • [gmx-users] need you help - New user   MUSYOKA THOMMAS
    • [gmx-users] need you help - New user   Urszula Uciechowska
      • [gmx-users] need you help - New user   Justin Lemkul
    • [gmx-users] rlist for implicit water   Urszula Uciechowska
      • [gmx-users] rlist for implicit water   Justin Lemkul
      • [gmx-users] rlist for implicit water   Urszula Uciechowska
      • [gmx-users] rlist for implicit water   Justin Lemkul
• [gmx-users] (no subject)   Balasubramanian Suriyanarayanan
  • [gmx-users] (no subject)   Justin Lemkul
• [gmx-users] Prevent protein rotation - rectangular box   Steven Neumann
  • [gmx-users] Prevent protein rotation - rectangular box   Justin Lemkul
    • [gmx-users] Prevent protein rotation - rectangular box   Steven Neumann
      • [gmx-users] Prevent protein rotation - rectangular box   Steven Neumann
      • [gmx-users] Prevent protein rotation - rectangular box   Justin Lemkul
      • [gmx-users] Prevent protein rotation - rectangular box   Steven Neumann
      • [gmx-users] Prevent protein rotation - rectangular box   Justin Lemkul
      • [gmx-users] Prevent protein rotation - rectangular box   Steven Neumann
      • [gmx-users] Prevent protein rotation - rectangular box   Justin Lemkul
      • [gmx-users] Prevent protein rotation - rectangular box   Steven Neumann
      • [gmx-users] Prevent protein rotation - rectangular box   Justin Lemkul
• [gmx-users] Water-Zinc interactions   Steve Seibold
  • [gmx-users] Water-Zinc interactions   Justin Lemkul
  • [gmx-users] Water-Zinc interactions   Vito Genna
• [gmx-users] Problem with T-coupling.   Udaya Dahal
  • [gmx-users] Problem with T-coupling.   Justin Lemkul
• [gmx-users] Non-bonded Interactions   라지브간디
  • [gmx-users] Non-bonded Interactions   Justin Lemkul
• [gmx-users] pH based calculation   Praveen Kumar
  • [gmx-users] pH based calculation   João Henriques
• [gmx-users] Inserting aquaporin-1 in a bilayer with multiple lipids   Melsa Rose Ducut
  • [gmx-users] Inserting aquaporin-1 in a bilayer with multiple lipids   Justin Lemkul
    • [gmx-users] Inserting aquaporin-1 in a bilayer with multiple lipids   Piggot T.
      • [gmx-users] Inserting aquaporin-1 in a bilayer with multiple lipids   Melsa Rose Ducut
      • [gmx-users] Inserting aquaporin-1 in a bilayer with multiple lipids   Thomas Piggot
• [gmx-users] Confusion about itp file generated by topolbuild   Bikramjit Sharma
  • [gmx-users] Confusion about itp file generated by topolbuild   Justin Lemkul
    • [gmx-users] Confusion about itp file generated by topolbuild   Mark Abraham
    • [gmx-users] Confusion about itp file generated by topolbuild   Bikramjit Sharma
      • [gmx-users] Confusion about itp file generated by topolbuild   Justin Lemkul
• [gmx-users] Fwd: Fw: Confusion about itp file generated by topolbuild   Sushma Yadav
• [gmx-users] Confusion about itp file generated by topolbuild   Sushma Yadav
• [gmx-users] Fw: Confusion about itp file generated by topolbuild   Bikramjit Sharma
• [gmx-users] Simulation of wild and mutant types of HSA protein   Negar Parvizi
  • [gmx-users] Simulation of wild and mutant types of HSA protein   Francesco Carbone
    • [gmx-users] Simulation of wild and mutant types of HSA protein   Negar Parvizi
  • [gmx-users] Simulation of wild and mutant types of HSA protein   Justin Lemkul
• [gmx-users] isothermal-isometric ensemble on gromacs   Carlos Navarrro Retamal
  • [gmx-users] isothermal-isometric ensemble on gromacs   Justin Lemkul
    • [gmx-users] isothermal-isometric ensemble on gromacs   Antonio Baptista
• [gmx-users] from coarse-grained to all atoms   Francesco Carbone
• [gmx-users] Gromacs & GPU no longer working together   Rafael I. Silverman y de la Vega
  • [gmx-users] Gromacs & GPU no longer working together   Rafael I. Silverman y de la Vega
• [gmx-users] Out of disk space   Carlos Familia
  • [gmx-users] Out of disk space   Mark Abraham
    • [gmx-users] Out of disk space   Mark Abraham
• [gmx-users] New Molecule Topology   Todor Antonijevic
  • [gmx-users] New Molecule Topology   Todor Antonijevic
• [gmx-users] Remove rotation around the center of mass   gmail
  • [gmx-users] Remove rotation around the center of mass   Mark Abraham
• [gmx-users] Eror: No parallel Ewald use PME instead!   Ali Alizadeh
  • [gmx-users] Eror: No parallel Ewald use PME instead!   Mark Abraham
• [gmx-users] g_membed itp file   h.alizadeh at znu.ac.ir
• [gmx-users] g_membed itp file   h.alizadeh at znu.ac.ir
  • [gmx-users] g_membed itp file   Justin Lemkul
• [gmx-users] No such moleculetype ZN   elham tazikeh
  • [gmx-users] No such moleculetype ZN   Mark Abraham
  • [gmx-users] No such moleculetype ZN   Justin Lemkul
• [gmx-users] Error in mdrun   Harshkumar Singh
  • [gmx-users] Error in mdrun   Praveen Kumar
    • [gmx-users] Error in mdrun   Harshkumar Singh
    • [gmx-users] Error in mdrun   Justin Lemkul
• [gmx-users] Eror: No parallel Ewald use PME instead!   Ali Alizadeh
  • [gmx-users] Eror: No parallel Ewald use PME instead!   Ali Alizadeh
  • [gmx-users] Eror: No parallel Ewald use PME instead!   Mark Abraham
    • [gmx-users] Eror: No parallel Ewald use PME instead!   Ali Alizadeh
      • [gmx-users] Eror: No parallel Ewald use PME instead!   Justin Lemkul
• [gmx-users] Non-bonded interactions   라지브간디
  • [gmx-users] Non-bonded interactions   Justin Lemkul
• [gmx-users] Remove rotation around the center of mass   gmail
  • [gmx-users] Remove rotation around the center of mass   Mark Abraham
• [gmx-users] (no subject)   elham tazikeh
• [gmx-users] No such moleculetype for ZN   elham tazikeh
  • [gmx-users] No such moleculetype for ZN   Justin Lemkul
• [gmx-users] Intra molecular force correction for SPME   Sumith YD
  • [gmx-users] Intra molecular force correction for SPME   Mark Abraham
• [gmx-users] Eror: No parallel Ewald use PME instead!   Ali Alizadeh
  • [gmx-users] Eror: No parallel Ewald use PME instead!   Mark Abraham
• [gmx-users] No such moleculetype ZN   elham tazikeh
  • [gmx-users] No such moleculetype ZN   Justin Lemkul
• [gmx-users] Intra molecular force correction for SPME   Sumith YD
  • [gmx-users] Intra molecular force correction for SPME   Mark Abraham
• [gmx-users] help gm1   leonardo villalba
  • [gmx-users] help gm1   Justin Lemkul
• [gmx-users] the water box become much larger in high temporature replicas after replica exchange simulation   #ZHANG HAIPING#
  • [gmx-users] the water box become much larger in high temporature replicas after replica exchange simulation   Mark Abraham
    • [gmx-users] 答复: the water box become much larger in high temporature replicas after replica exchange simulation   #ZHANG HAIPING#
      • [gmx-users] 答复: the water box become much larger in high temporature replicas after replica exchange simulation   Mark Abraham
    • [gmx-users] the water box become much larger in high temporature replicas after replica exchange simulation   Dr. Vitaly Chaban
• [gmx-users] Polymers   James
  • [gmx-users] Polymers   Tsjerk Wassenaar
    • [gmx-users] Polymers   James
      • [gmx-users] Polymers   Tsjerk Wassenaar
• [gmx-users] ZN-His coordinate bond   陈功
• [gmx-users] dssp   Uma Devi
  • [gmx-users] dssp   Erik Marklund
  • [gmx-users] dssp   Uma Devi
    • [gmx-users] dssp   Tsjerk Wassenaar
      • [gmx-users] dssp   Gurunath Katagi
• [gmx-users] Need some help with membrane simulation   Ali Khan
  • [gmx-users] Need some help with membrane simulation   Mark Abraham
  • [gmx-users] Need some help with membrane simulation   Justin Lemkul
    • [gmx-users] Need some help with membrane simulation   Ali Khan
      • [gmx-users] Need some help with membrane simulation   Justin Lemkul
      • [gmx-users] Need some help with membrane simulation   Ali Khan
      • [gmx-users] Need some help with membrane simulation   Justin Lemkul
      • [gmx-users] Need some help with membrane simulation   Ali Khan
      • [gmx-users] Need some help with membrane simulation   Piggot T.
      • [gmx-users] Need some help with membrane simulation   lloyd riggs
    • [gmx-users] Need some help with membrane simulation   Ali Khan
      • [gmx-users] Need some help with membrane simulation   Mark Abraham
      • [gmx-users] Need some help with membrane simulation   Ali Khan
• [gmx-users] Intra molecular force correction for SPME   Sumith YD
  • [gmx-users] Intra molecular force correction for SPME   Mark Abraham
• [gmx-users] hardware problem of GPU?   Albert
  • [gmx-users] hardware problem of GPU?   Mark Abraham
    • [gmx-users] hardware problem of GPU?   Albert
      • [gmx-users] hardware problem of GPU?   Mark Abraham
      • [gmx-users] hardware problem of GPU?   Albert
      • [gmx-users] hardware problem of GPU?   Mark Abraham
      • [gmx-users] hardware problem of GPU?   Albert
      • [gmx-users] hardware problem of GPU?   Mark Abraham
      • [gmx-users] hardware problem of GPU?   Albert
• [gmx-users] optimize cpu with gpu node for gromacs   rahul dhakne
  • [gmx-users] optimize cpu with gpu node for gromacs   Szilárd Páll
• [gmx-users] Indicators of protein stability   Pappu Kumar
• [gmx-users] problem with membrane simulation   free882 at inwind.it
  • [gmx-users] problem with membrane simulation   Justin Lemkul
• [gmx-users] exchange kinetic   dina dusti
• [gmx-users] ligand_protein binding free energy caculation using gromacs   #ZHANG HAIPING#
  • [gmx-users] ligand_protein binding free energy caculation using gromacs   Justin Lemkul
    • [gmx-users] 答复: ligand_protein binding free energy caculation using gromacs   #ZHANG HAIPING#
• [gmx-users] specbond identified by pdb2gmx but not added to topology   Vedat Durmaz
  • [gmx-users] specbond identified by pdb2gmx but not added to topology   Justin Lemkul
  • [gmx-users] specbond identified by pdb2gmx but not added to topology   lloyd riggs
  • [gmx-users] specbond identified by pdb2gmx but not added to topology   lloyd riggs
  • [gmx-users] specbond identified by pdb2gmx but not added to topology   Vedat Durmaz
• [gmx-users] (no subject)   #ZHANG HAIPING#
  • [gmx-users] (no subject)   Justin Lemkul
    • [gmx-users] 答复: (no subject)   #ZHANG HAIPING#
• [gmx-users] why deltaG=0?   Albert
  • [gmx-users] why deltaG=0?   Justin Lemkul
    • [gmx-users] why deltaG=0?   Albert
      • [gmx-users] why deltaG=0?   Justin Lemkul
• [gmx-users] g_sham segmentation fault   Soumya Lipsa Rath
• [gmx-users] charge groups   Negar Parvizi
  • [gmx-users] Fw: charge groups   Negar Parvizi
  • [gmx-users] charge groups   Justin Lemkul
• [gmx-users] Some confusion related to extending a simulation   bharat gupta
  • [gmx-users] Some confusion related to extending a simulation   Justin Lemkul
• [gmx-users] DSSP -regarding   Uma Devi
• [gmx-users] Regarding membrane construction   Venkat Reddy
  • [gmx-users] Regarding membrane construction   陈功
    • [gmx-users] Regarding membrane construction   Venkat Reddy
    • [gmx-users] Regarding membrane construction   Justin Lemkul
      • [gmx-users] Regarding membrane construction   Venkat Reddy
      • [gmx-users] Regarding membrane construction   陈功
      • [gmx-users] Regarding membrane construction   Venkat Reddy
      • [gmx-users] Regarding membrane construction   Justin Lemkul
      • [gmx-users] Regarding membrane construction   Venkat Reddy
      • [gmx-users] Regarding membrane construction   Justin Lemkul
      • [gmx-users] Regarding membrane construction   Venkat Reddy
      • [gmx-users] Regarding membrane construction   Justin Lemkul
• [gmx-users] Problem in NVT equilibration   Balasubramanian Suriyanarayanan
  • [gmx-users] Problem in NVT equilibration   Venkat Reddy
    • [gmx-users] Problem in NVT equilibration   Balasubramanian Suriyanarayanan
      • [gmx-users] Problem in NVT equilibration   Justin Lemkul
      • [gmx-users] Problem in NVT equilibration   Venkat Reddy
• [gmx-users] charge groups   Justin Lemkul
• [gmx-users] NVT equilibration - error message   Balasubramanian Suriyanarayanan
• [gmx-users] g_cluster   Neha Gandhi
• [gmx-users] Regarding protein folding kinetics   Singam Karthick
• [gmx-users] Reactive force field   Nilesh Dhumal
  • [gmx-users] Reactive force field   Dr. Vitaly Chaban
• [gmx-users] Reactive force field   Nilesh Dhumal
• [gmx-users] g_mmpbsa: MM-PBSA method for GROMACS   Rashmi
  • [gmx-users] g_mmpbsa: MM-PBSA method for GROMACS   David van der Spoel
    • [gmx-users] g_mmpbsa: MM-PBSA method for GROMACS   Rashmi
      • [gmx-users] g_mmpbsa: MM-PBSA method for GROMACS   sucharita dey
      • [gmx-users] g_mmpbsa: MM-PBSA method for GROMACS   Rashmi
      • [gmx-users] g_mmpbsa: MM-PBSA method for GROMACS   sucharita dey
• [gmx-users] helix crossing angle   Natalia Alveal F.
  • [gmx-users] helix crossing angle   Justin Lemkul
• [gmx-users] -inf potential with TPIC   Rafael I. Silverman y de la Vega
  • [gmx-users] -inf potential with TPIC   Justin Lemkul
    • [gmx-users] -inf potential with TPIC   Rafael I. Silverman y de la Vega
      • [gmx-users] -inf potential with TPIC   Rafael I. Silverman y de la Vega
      • [gmx-users] -inf potential with TPIC   Justin Lemkul
      • [gmx-users] -inf potential with TPIC   Rafael I. Silverman y de la Vega
      • [gmx-users] -inf potential with TPIC   Justin Lemkul
      • [gmx-users] -inf potential with TPIC   Rafael I. Silverman y de la Vega
      • [gmx-users] -inf potential with TPIC   Justin Lemkul
      • [gmx-users] -inf potential with TPIC   Rafael I. Silverman y de la Vega
      • [gmx-users] -inf potential with TPIC   Justin Lemkul
      • [gmx-users] -inf potential with TPIC   João M. Damas
      • [gmx-users] -inf potential with TPIC   Rafael I. Silverman y de la Vega
      • [gmx-users] -inf potential with TPIC   João M. Damas
• [gmx-users] charge groups   Negar Parvizi
  • [gmx-users] charge groups   Justin Lemkul
• [gmx-users] (no subject)   Balasubramanian Suriyanarayanan
  • [gmx-users] (no subject)   Venkat Reddy
    • [gmx-users] (no subject)   Balasubramanian Suriyanarayanan
• [gmx-users] Packing lipid around protein   Balasubramanian Suriyanarayanan
• [gmx-users] packing lipid around protein   Balasubramanian Suriyanarayanan
  • [gmx-users] packing lipid around protein   Catarina Santos
    • [gmx-users] packing lipid around protein   Balasubramanian Suriyanarayanan
• [gmx-users] (no subject)   Balasubramanian Suriyanarayanan
• [gmx-users] I am still being regularly unsubscribed from the gromacs.org mailing list   Bruce D. Ray
• [gmx-users] Martini in Gromacs   Neha Gandhi
  • [gmx-users] Martini in Gromacs   Zhi Yue
  • [gmx-users] Martini in Gromacs   Dr. Vitaly Chaban
  • [gmx-users] Martini in Gromacs   Justin Lemkul
• [gmx-users] Tc grps, one group or two?   陈功
• [gmx-users] C36 cyclopropanated lipids in Gromacs   Ariel Leong
  • [gmx-users] C36 cyclopropanated lipids in Gromacs   Justin Lemkul
    • [gmx-users] C36 cyclopropanated lipids in Gromacs   Ariel Leong
      • [gmx-users] C36 cyclopropanated lipids in Gromacs   Justin Lemkul
      • [gmx-users] C36 cyclopropanated lipids in Gromacs   Ariel Leong
• [gmx-users] virtual site independent from other structure   Linlin Sun
  • [gmx-users] virtual site independent from other structure   Justin Lemkul
• [gmx-users] GROMOS96 user guide   Negar Parvizi
  • [gmx-users] GROMOS96 user guide   Justin Lemkul
    • [gmx-users] GROMOS96 user guide   Piggot T.
• [gmx-users] question about topolbuild   Hui Wen Ng
  • [gmx-users] question about topolbuild   Hui Wen Ng
• [gmx-users] Broken molecule across periodic boundary: "The sum of the two largest charge group radii (xxx) is larger than rlist (xxx)"   yunshi11 .
• [gmx-users] Using specbond.dat in pdb2gmx   Matthew Stancea
  • [gmx-users] Using specbond.dat in pdb2gmx   Justin Lemkul
    • [gmx-users] Using specbond.dat in pdb2gmx   Matthew Stancea
      • [gmx-users] Using specbond.dat in pdb2gmx   Justin Lemkul
      • [gmx-users] Using specbond.dat in pdb2gmx   Matthew Stancea
      • [gmx-users] Using specbond.dat in pdb2gmx   Justin Lemkul
      • [gmx-users] Using specbond.dat in pdb2gmx   Matthew Stancea
      • [gmx-users] Using specbond.dat in pdb2gmx   Justin Lemkul
      • [gmx-users] Using specbond.dat in pdb2gmx   Matthew Stancea
      • [gmx-users] Using specbond.dat in pdb2gmx   Justin Lemkul
      • [gmx-users] Using specbond.dat in pdb2gmx   Mark Abraham
      • [gmx-users] Using specbond.dat in pdb2gmx   Mark Abraham
      • [gmx-users] Using specbond.dat in pdb2gmx   Matthew Stancea
      • [gmx-users] Using specbond.dat in pdb2gmx   Justin Lemkul
      • [gmx-users] Using specbond.dat in pdb2gmx   Matthew Stancea
      • [gmx-users] Using specbond.dat in pdb2gmx   Justin Lemkul
      • [gmx-users] Using specbond.dat in pdb2gmx   Matthew Stancea
      • [gmx-users] Using specbond.dat in pdb2gmx   Justin Lemkul
      • [gmx-users] Using specbond.dat in pdb2gmx   Matthew Stancea
      • [gmx-users] Using specbond.dat in pdb2gmx   Justin Lemkul
      • [gmx-users] Using specbond.dat in pdb2gmx   Matthew Stancea
      • [gmx-users] Using specbond.dat in pdb2gmx   Mark Abraham
      • [gmx-users] Using specbond.dat in pdb2gmx   Matthew Stancea
      • [gmx-users] Using specbond.dat in pdb2gmx   Justin Lemkul
• [gmx-users] Broken molecule across periodic boundary: "The sum of the two largest charge group radii (xxx) is larger than rlist (xxx)"   yunshi11 .
• [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] Interaction energy between helices   Justin Lemkul
• [gmx-users] Tc grps, one group or two?   陈功
  • [gmx-users] Tc grps, one group or two?   Mark Abraham
• [gmx-users] Salt Bridge   bharat gupta
• [gmx-users] Hbonds per residue   Natalia Alveal F.
  • [gmx-users] Hbonds per residue   Erik Marklund
• [gmx-users] how many groups shall I use to control the temperature?   陈功
  • [gmx-users] how many groups shall I use to control the temperature?   Justin Lemkul
    • [gmx-users] how many groups shall I use to control the temperature?   陈功
      • [gmx-users] how many groups shall I use to control the temperature?   Dr. Vitaly Chaban
• [gmx-users] Energy minimisation step in Lipid protein simulation   Balasubramanian Suriyanarayanan
  • [gmx-users] Energy minimisation step in Lipid protein simulation   Justin Lemkul
    • [gmx-users] Energy minimisation step in Lipid protein simulation   Balasubramanian Suriyanarayanan
      • [gmx-users] Energy minimisation step in Lipid protein simulation   Justin Lemkul
• [gmx-users] energy minimisation step in lipid protein simulation   Balasubramanian Suriyanarayanan
• [gmx-users] energy minimisation step in protein lipid simulation   Balasubramanian Suriyanarayanan
• [gmx-users] pH simulation   Lovika Moudgil
  • [gmx-users] pH simulation   rajat desikan
    • [gmx-users] pH simulation   Lovika Moudgil
• [gmx-users] (no subject)   Balasubramanian Suriyanarayanan
  • [gmx-users] (no subject)   Justin Lemkul
  • [gmx-users] (no subject)   Vedat Durmaz
  • [gmx-users] (no subject)   Vedat Durmaz
• [gmx-users] energy minimisation in lipid protein simulation   Balasubramanian Suriyanarayanan
• [gmx-users] (no subject)   Balasubramanian Suriyanarayanan
• [gmx-users] (no subject)   Vedat Durmaz
• [gmx-users] Acpyte with opls-aa   Saman Shahriyari
• [gmx-users] g_clustsize   David van der Spoel
• [gmx-users] Adding residue at two end of DNA   Mehdi Bagherpour
• [gmx-users] about thermal intergation calculations   mircial at sjtu.edu.cn
• [gmx-users] peculiar water behavior   Chetan Mahajan
  • [gmx-users] peculiar water behavior   Chetan Mahajan
  • [gmx-users] peculiar water behavior   Justin Lemkul
    • [gmx-users] peculiar water behavior   Chetan Mahajan
      • [gmx-users] peculiar water behavior   Chetan Mahajan
      • [gmx-users] peculiar water behavior   Mark Abraham
      • [gmx-users] peculiar water behavior   Chetan Mahajan
      • [gmx-users] peculiar water behavior   Chetan Mahajan
      • [gmx-users] peculiar water behavior   Chetan Mahajan
      • [gmx-users] peculiar water behavior   Justin Lemkul
      • [gmx-users] peculiar water behavior   Chetan Mahajan
      • [gmx-users] peculiar water behavior   Justin Lemkul
      • [gmx-users] peculiar water behavior   Chetan Mahajan
• [gmx-users] Problem in energy minimization and further dynamics probably for atomic clashes   sucharita dey
  • [gmx-users] Problem in energy minimization and further dynamics probably for atomic clashes   Justin Lemkul
• [gmx-users] ligand topology for opls.aa   Saman Shahriyari
• [gmx-users] gromacs.org_gmx-users Digest, Vol 122, Issue 61   Andrey Frolov
• [gmx-users] ligand topology for opls.aa   Andrey Frolov
• [gmx-users] Adding polyatomic ions using genion or genbox ..   Alberto Sergio Garay
  • [gmx-users] Adding polyatomic ions using genion or genbox ..   Justin Lemkul
• [gmx-users] truncated octahedron box vector angles and number of waters   gromacs query
  • [gmx-users] truncated octahedron box vector angles and number of waters   Tsjerk Wassenaar
• [gmx-users] g_clustsize   Raisa Kociurzynski
  • [gmx-users] g_clustsize   Tsjerk Wassenaar
• [gmx-users] folding kinetics from SMD simulation   Singam Karthick
• [gmx-users] How to rotate box in editconf   Rini Gupta
  • [gmx-users] How to rotate box in editconf   Mark Abraham
• [gmx-users] Calculating dielectric constant using g_dipoles and g_dielectric   bipin singh
• [gmx-users] interaction potential parameters and the forcefield.itp file   akari karin
  • [gmx-users] interaction potential parameters and the forcefield.itp file   Mark Abraham
    • [gmx-users] interaction potential parameters and the forcefield.itp file   akari karin
      • [gmx-users] interaction potential parameters and the forcefield.itp file   Mark Abraham
• [gmx-users] g_cluster for ligand clustering   mbalint at caesar.elte.hu
  • [gmx-users] g_cluster for ligand clustering   Mark Abraham
• [gmx-users] g_gyrate or g_polystat   Argyrios Karatrantos
• [gmx-users] Net charge neutrality during thermodynamic integration   Leandro Bortot
  • [gmx-users] Net charge neutrality during thermodynamic integration   Michael Shirts
• [gmx-users] How to exit cluster during the simulation   Batdorj Batsaikhan
  • [gmx-users] How to exit cluster during the simulation   Carlos Navarrro Retamal
  • [gmx-users] How to exit cluster during the simulation   Thomas C. O'Connor
  • [gmx-users] How to exit cluster during the simulation   陈功
    • [gmx-users] How to exit cluster during the simulation   Batdorj Batsaikhan
  • [gmx-users] How to exit cluster during the simulation   Dr. Vitaly Chaban
• [gmx-users] How to exit cluster during the simulation   Monoj Mon Kalita
• [gmx-users] Regarding lipid topology   Venkat Reddy
  • [gmx-users] Regarding lipid topology   Dr. Vitaly Chaban
• [gmx-users] How to extend Amber FF parameters of Lipids   Batdorj Batsaikhan
  • [gmx-users] How to extend Amber FF parameters of Lipids   Justin Lemkul
• [gmx-users] dissociation of protein/peptide complex in the pdb derived from .xtc   Saman Shahriyari
  • [gmx-users] dissociation of protein/peptide complex in the pdb derived from .xtc   Justin Lemkul
• [gmx-users] Too many LINCS warnings   h.alizadeh at znu.ac.ir
  • [gmx-users] Too many LINCS warnings   Mark Abraham
• [gmx-users] How to fix protein went out water?   Batdorj Batsaikhan
  • [gmx-users] How to fix protein went out water?   Justin Lemkul
  • [gmx-users] How to fix protein went out water?   Thales Kronenberger
    • [gmx-users] How to fix protein went out water?   Justin Lemkul
      • [gmx-users] How to fix protein went out water?   Batdorj Batsaikhan
• [gmx-users] tunepme does not start   Soren Wacker
  • [gmx-users] tunepme does not start   Mark Abraham
    • [gmx-users] tunepme does not start   Soren Wacker
      • [gmx-users] tunepme does not start   Mark Abraham
• [gmx-users] CHARMM36 and carbohydrates   Timothy Click
  • [gmx-users] CHARMM36 and carbohydrates   Justin Lemkul
• [gmx-users] (no subject)   AMNINDER SINGH
  • [gmx-users] (no subject)   Justin Lemkul
• [gmx-users] grompp   Meenakshi Rajput
  • [gmx-users] min in vacuum   Urszula Uciechowska
    • [gmx-users] min in vacuum   Justin Lemkul
    • [gmx-users] Pressure scaling more than 1% please help new user   Urszula Uciechowska
      • [gmx-users] Pressure scaling more than 1% please help new user   Justin Lemkul
  • [gmx-users] grompp   Venkat Reddy
  • [gmx-users] grompp   Justin Lemkul
  • [gmx-users] grompp   Meenakshi Rajput
    • [gmx-users] grompp   Justin Lemkul
• [gmx-users] Regarding the difference between g_dipoles and g_dielectric calculations   bipin singh
• [gmx-users] Problem in energy minimization and further dynamics probably for atomic clashes   sucharita dey
  • [gmx-users] Problem in energy minimization and further dynamics probably for atomic clashes   Justin Lemkul
    • [gmx-users] Problem in energy minimization and further dynamics probably for atomic clashes   sucharita dey
      • [gmx-users] Problem in energy minimization and further dynamics probably for atomic clashes   Mark Abraham
• [gmx-users] Atom was not found   h.alizadeh at znu.ac.ir
  • [gmx-users] Atom was not found   Justin Lemkul
• [gmx-users] problem with Charmm36 ff   Esteban.Pedrueza at uv.es
  • [gmx-users] problem with Charmm36 ff   Justin Lemkul
    • [gmx-users] problem with Charmm36 ff   Esteban.Pedrueza at uv.es
      • [gmx-users] problem with Charmm36 ff   Justin Lemkul
      • [gmx-users] problem with Charmm36 ff   Thomas Piggot
      • [gmx-users] problem with Charmm36 ff   Justin Lemkul
      • [gmx-users] problem with Charmm36 ff   Esteban.Pedrueza at uv.es
• [gmx-users] (no subject)   Justin Lemkul
• [gmx-users] pdb2gmx   mirko busato
  • [gmx-users] pdb2gmx   Justin Lemkul
    • [gmx-users] pdb2gmx   mirko busato
      • [gmx-users] pdb2gmx   Justin Lemkul
      • [gmx-users] pdb2gmx   mirko busato
      • [gmx-users] pdb2gmx   Justin Lemkul
      • [gmx-users] pdb2gmx   mirko busato
      • [gmx-users] pdb2gmx   Justin Lemkul
• [gmx-users] (no subject)   fatemeh ramezani
  • [gmx-users] (no subject)   Justin Lemkul
• [gmx-users] Mdrun kill despite the use of nohup   fatemeh ramezani
• [gmx-users] genbox solvate insert_molecules   Soren Wacker
  • [gmx-users] genbox solvate insert_molecules   Justin Lemkul
• [gmx-users] Atom was not found   Monoj Mon Kalita
• [gmx-users] confusion of forward and backward FEP in Gromacs-4.6.5   dbaogen
• [gmx-users] EnMin & constraints: Hamletic doubt   Nicola Staffolani
  • [gmx-users] EnMin & constraints: Hamletic doubt   Justin Lemkul
    • [gmx-users] EnMin & constraints: Hamletic doubt   Nicola Staffolani
      • [gmx-users] EnMin & constraints: Hamletic doubt   Justin Lemkul
      • [gmx-users] EnMin & constraints: Hamletic doubt   Nicola Staffolani
      • [gmx-users] EnMin & constraints: Hamletic doubt   Justin Lemkul
      • [gmx-users] EnMin & constraints: Hamletic doubt   Nicola Staffolani
      • [gmx-users] EnMin & constraints: Hamletic doubt   Justin Lemkul
      • [gmx-users] EnMin & constraints: Hamletic doubt   Nicola Staffolani
      • [gmx-users] EnMin & constraints: Hamletic doubt   Justin Lemkul
      • [gmx-users] EnMin & constraints: Hamletic doubt   Nicola Staffolani
• [gmx-users] Problem in running protein-ligand (Heteroatom type) system: Ligand position not in correct position   neeru sharma
  • [gmx-users] Problem in running protein-ligand (Heteroatom type) system: Ligand position not in correct position   Justin Lemkul
• [gmx-users] Hydrogen bond existence map   Nidhi Katyal
  • [gmx-users] Hydrogen bond existence map   Erik Marklund
    • [gmx-users] Hydrogen bond existence map   andrea
• [gmx-users] More suitable force field and water model   Mohsen Ramezanpour
  • [gmx-users] More suitable force field and water model   Justin Lemkul
    • [gmx-users] More suitable force field and water model   Mohsen Ramezanpour
      • [gmx-users] More suitable force field and water model   Mark Abraham
      • [gmx-users] More suitable force field and water model   Mohsen Ramezanpour
      • [gmx-users] More suitable force field and water model   Justin Lemkul
  • [gmx-users] More suitable force field and water model   Dr. Vitaly Chaban
• [gmx-users] confusion of forward and backward FEP in Gromacs-4.6.5   dbaogen
• [gmx-users] Angle constraints independent on bond constraints   Fabian Gottwald
• [gmx-users] maximum number of specbonds?   Soren Wacker
  • [gmx-users] maximum number of specbonds?   Soren Wacker
  • [gmx-users] maximum number of specbonds?   Mark Abraham
• [gmx-users] Velocities from checkpoint   Nilesh Dhumal
  • [gmx-users] Velocities from checkpoint   Justin Lemkul
    • [gmx-users] Velocities from checkpoint   Tsjerk Wassenaar
• [gmx-users] .rtp files   Negar Parvizi
  • [gmx-users] .rtp files   Justin Lemkul
• [gmx-users] g_hbond   Nidhi Katyal
  • [gmx-users] g_hbond   Justin Lemkul
• [gmx-users] Problem in running protein-ligand (Heteroatom type) system: Ligand position not in correct position   neeru sharma
• [gmx-users] continue a crashed run, but change the output frequency   #ZHANG HAIPING#
  • [gmx-users] continue a crashed run, but change the output frequency   Justin Lemkul
• [gmx-users] topolbuild   marzieh dehghan
• [gmx-users] lipid bilayer of POPC and cholesterol available for download?   william wang
  • [gmx-users] lipid bilayer of POPC and cholesterol available for download?   Gunther Lukat
• [gmx-users] Welcome to the "gromacs.org_gmx-users" mailing list (Digest mode)   Shahnaz Ashrafpour
• [gmx-users] Intramolecular interactions   Robson da Silva
  • [gmx-users] Intramolecular interactions   Justin Lemkul
• [gmx-users] Numbering coordinate file   Mihaela Drenscko
  • [gmx-users] Numbering coordinate file   Dallas Warren
• [gmx-users] Interpreting energy drift   Chetan Mahajan
• [gmx-users] lipid bilayer of POPC and cholesterol available for download   william wang
• [gmx-users] help with poor performance on gromacs on Cray linux   Tom
  • [gmx-users] help with poor performance on gromacs on Cray linux   Justin Lemkul
• [gmx-users] NPT MD and Berendsen   Chetan Mahajan
  • [gmx-users] NPT MD and Berendsen   Chetan Mahajan
  • [gmx-users] NPT MD and Berendsen   Francis Jing
    • [gmx-users] NPT MD and Berendsen   Chetan Mahajan
      • [gmx-users] NPT MD and Berendsen   Michael Shirts
      • [gmx-users] NPT MD and Berendsen   Chetan Mahajan
  • [gmx-users] NPT MD and Berendsen   Dr. Vitaly Chaban
• [gmx-users] AMBER99SB-ILDNP and AMBER99SB*-ILDNP   Grom Macs
• [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] Mixed 1-4 scaling factors   Liel Sapir
• [gmx-users] Fwd: segmentation fault on gpus   ram bio
  • [gmx-users] Fwd: segmentation fault on gpus   Justin Lemkul
    • [gmx-users] Fwd: segmentation fault on gpus   ram bio
      • [gmx-users] Fwd: segmentation fault on gpus   Justin Lemkul
      • [gmx-users] Fwd: segmentation fault on gpus   Szilárd Páll
      • [gmx-users] Fwd: segmentation fault on gpus   Justin Lemkul
      • [gmx-users] Fwd: segmentation fault on gpus   ram bio
      • [gmx-users] Fwd: segmentation fault on gpus   Mark Abraham
      • [gmx-users] Fwd: segmentation fault on gpus   ram bio
      • [gmx-users] Fwd: segmentation fault on gpus   ram bio
      • [gmx-users] Fwd: segmentation fault on gpus   Justin Lemkul
• [gmx-users] Error in Umbrella sampling   Maziya Ibrahim
  • [gmx-users] Error in Umbrella sampling   Justin Lemkul
• [gmx-users] Charges & non-bonded interaction values usage in different force fields   Rj
  • [gmx-users] Charges & non-bonded interaction values usage in different force fields   Dr. Vitaly Chaban
• [gmx-users] Calculating the interaction energy as well individual energy?   RJ
• [gmx-users] question about installation of gmx on Cray linux   Tom
  • [gmx-users] question about installation of gmx on Cray linux   Mark Abraham
• [gmx-users] Hamiltonian Replica Exchange   Thomas Evangelidis
  • [gmx-users] Hamiltonian Replica Exchange   HANNIBAL LECTER
    • [gmx-users] Hamiltonian Replica Exchange   Mark Abraham
  • [gmx-users] Hamiltonian Replica Exchange   Szilárd Páll
    • [gmx-users] Hamiltonian Replica Exchange   Szilárd Páll
      • [gmx-users] Hamiltonian Replica Exchange   Thomas Evangelidis
      • [gmx-users] Hamiltonian Replica Exchange   Szilárd Páll
• [gmx-users] gromacs.org_gmx-users Digest, Vol 122, Issue 103   라지브간디
• [gmx-users] proteins break up in simulation   sunyeping
  • [gmx-users] proteins break up in simulation   Justin Lemkul
• [gmx-users] topology file   Andy Chao
  • [gmx-users] topology file   Justin Lemkul
• [gmx-users] Carbon monoxide topology   Mark Abraham
  • [gmx-users] Carbon monoxide topology   Dr. Vitaly Chaban
• [gmx-users] Query regarding Domain decomposition   suhani nagpal
  • [gmx-users] Query regarding Domain decomposition   Mark Abraham
    • [gmx-users] Query regarding Domain decomposition   suhani nagpal
      • [gmx-users] Query regarding Domain decomposition   Mark Abraham
      • [gmx-users] Query regarding Domain decomposition   suhani nagpal
• [gmx-users] Unit of force constants and adding new residue.   Dawid das
  • [gmx-users] Unit of force constants and adding new residue.   Justin Lemkul
• [gmx-users] no domain decomposition   Chetan Mahajan
  • [gmx-users] no domain decomposition   Justin Lemkul
  • [gmx-users] no domain decomposition   Mark Abraham
    • [gmx-users] no domain decomposition   Chetan Mahajan
• [gmx-users] mdrun error   Lovika Moudgil
  • [gmx-users] mdrun error   Justin Lemkul
    • [gmx-users] mdrun error   Lovika Moudgil
• [gmx-users] Free energy change upon residue mutation in protein   tomas bastys
• [gmx-users] Energy minimization has stopped, but the forces have not converged   Iris Nira Smith
  • [gmx-users] Energy minimization has stopped, but the forces have not converged   Justin Lemkul
• [gmx-users] cholesterol bond rotation   Michael Weiner
  • [gmx-users] cholesterol bond rotation   Justin Lemkul
• [gmx-users] Calculating shifted VDW energies   Michael Lerner
  • [gmx-users] Calculating shifted VDW energies   Michael Lerner
• [gmx-users] hbond correspondence between hbond.log and hbmap.xpm   Zheng Ruan
  • [gmx-users] hbond correspondence between hbond.log and hbmap.xpm   Justin Lemkul
• [gmx-users] gromacs genbox SPC water population   Chetan Mahajan
  • [gmx-users] gromacs genbox SPC water population   Chetan Mahajan
    • [gmx-users] gromacs genbox SPC water population   Chetan Mahajan
• [gmx-users] how to set number of exchange attempts in replica exchange simulation   #ZHANG HAIPING#
  • [gmx-users] how to set number of exchange attempts in replica exchange simulation   Justin Lemkul
• [gmx-users] About pdb2gmx and cyclic peptides   Ivan Gladich
  • [gmx-users] About pdb2gmx and cyclic peptides   Justin Lemkul
    • [gmx-users] About pdb2gmx and cyclic peptides   Ivan Gladich
• [gmx-users] Can i change the dihedral angle during MD   xiao
  • [gmx-users] Can i change the dihedral angle during MD   Justin Lemkul
• [gmx-users] Possible trjconv malfunction?   Nathan Scott
  • [gmx-users] Possible trjconv malfunction?   Justin Lemkul
    • [gmx-users] Possible trjconv malfunction?   Nathan Scott
      • [gmx-users] Possible trjconv malfunction?   Justin Lemkul
• [gmx-users] Possible trjconv malfunction?   Nathan Scott
  • [gmx-users] Possible trjconv malfunction?   Christopher Neale
    • [gmx-users] Possible trjconv malfunction?   Nathan Scott
      • [gmx-users] Possible trjconv malfunction?   Christopher Neale
• [gmx-users] g_rmsdist ignores -equiv option   sebastian.buchenberg
• [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   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   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] cholesterol bond rotation   Michael Weiner
• [gmx-users] Strange error message when trying to preprocess a cyclotide in GROMACS   Matthew Stancea
  • [gmx-users] Strange error message when trying to preprocess a cyclotide in GROMACS   Justin Lemkul
• [gmx-users] help with poor performance on gromacs on Cray linux   Tom
  • [gmx-users] help with poor performance on gromacs on Cray linux   Justin Lemkul
  • [gmx-users] help with poor performance on gromacs on Cray linux   Mark Abraham
• [gmx-users] Re:Carbon monoxide topology- Charges & non-bonded interaction values usage   라지브간디
  • [gmx-users] Carbon monoxide topology- Charges & non-bonded interaction values usage   Justin Lemkul
• [gmx-users] REMD: A small bug in repl_ex.c and a related question   Suman Chakrabarty
  • [gmx-users] REMD: A small bug in repl_ex.c and a related question   Mark Abraham
• [gmx-users] Fwd: ion mutation in FEP   SEMRAN İPEK
• [gmx-users] dynamic selection memory allocation problem   gigo
  • [gmx-users] dynamic selection memory allocation problem   Teemu Murtola
    • [gmx-users] dynamic selection memory allocation problem   gigo
      • [gmx-users] dynamic selection memory allocation problem   Teemu Murtola
      • [gmx-users] dynamic selection memory allocation problem   gigo
      • [gmx-users] dynamic selection memory allocation problem   Teemu Murtola
      • [gmx-users] dynamic selection memory allocation problem   gigo
• [gmx-users] EDLC simulation using Gromacs   Andy Chao
  • [gmx-users] EDLC simulation using Gromacs   Tsjerk Wassenaar
  • [gmx-users] EDLC simulation using Gromacs   Dr. Vitaly Chaban
• [gmx-users] help with poor performance on gromacs on Cray linux   Tom
• [gmx-users] compile single src file   Eric Smoll
• [gmx-users] How to calculate Box Vectors in the last line of the .gro file?   Todor Antonijevic
  • [gmx-users] How to calculate Box Vectors in the last line of the .gro file?   Justin Lemkul
  • [gmx-users] How to calculate Box Vectors in the last line of the .gro file?   Dr. Vitaly Chaban
• [gmx-users] GROMACS 5.0 official release   Mark Abraham
  • [gmx-users] Thanks to the developers heroic efforts!   Mirco Wahab
    • [gmx-users] Thanks to the developers heroic efforts!   Szilárd Páll
• [gmx-users] Questions regarding converting .GRO files to .TOP files   Andy Chao
  • [gmx-users] Questions regarding converting .GRO files to .TOP files   Dr. Vitaly Chaban
  • [gmx-users] Questions regarding converting .GRO files to .TOP files   Justin Lemkul
• [gmx-users] CNT with BN co doping   akari karin
  • [gmx-users] CNT with BN co doping   Dr. Vitaly Chaban
    • [gmx-users] CNT with BN co doping   akari karin
      • [gmx-users] CNT with BN co doping   Dr. Vitaly Chaban
• [gmx-users] gromacs.org_gmx-users Digest, Vol 122, Issue 128   Andy Chao
  • [gmx-users] ionic liquids   Justin Lemkul

Last message date: Mon Jun 30 22:03:43 CEST 2014
Archived on: Mon Jun 30 22:03:43 CEST 2014

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