February 2009 Archives by thread

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Starting: Sun Feb 1 10:48:20 CET 2009
Ending: Sat Feb 28 19:53:10 CET 2009
Messages: 711

• [gmx-users] genbox   Sunil Thapa
  • [gmx-users] genbox   David van der Spoel
• [gmx-users] IN4 molecule type error   Mohammed Kamal
• [gmx-users] Re: gmx-users Digest, Vol 58, Issue 2   Ms. Aswathy S
  • [gmx-users] Re: gmx-users Digest, Vol 58, Issue 2   Mohammed Kamal
• [gmx-users] COM motion removal   Mark Abraham
• [gmx-users] infinite polymer crystals at gromacs 4.x.x   Claus Valka
  • [gmx-users] infinite polymer crystals at gromacs 4.x.x   David van der Spoel
    • [gmx-users] infinite polymer crystals at gromacs 4.x.x   Berk Hess
• [gmx-users] Melittin in methanol...   sharada
  • [gmx-users] Melittin in methanol...   Justin A. Lemkul
• [gmx-users] Advice for simulating small DNA   Joshua Ballanco
  • [gmx-users] Advice for simulating small DNA   Mark Abraham
    • [gmx-users] Advice for simulating small DNA   Joshua Ballanco
      • [gmx-users] Advice for simulating small DNA   Justin A. Lemkul
      • [gmx-users] Advice for simulating small DNA   Mark Abraham
      • [gmx-users] Advice for simulating small DNA   Joshua Ballanco
      • [gmx-users] Advice for simulating small DNA   Justin A. Lemkul
      • [gmx-users] Advice for simulating small DNA   Mark Abraham
      • [gmx-users] Advice for simulating small DNA   Joshua Ballanco
      • [gmx-users] Advice for simulating small DNA   Mark Abraham
• [gmx-users] installation problem   Rafael Real Guerra
  • [gmx-users] installation problem   Justin A. Lemkul
  • [gmx-users] installation problem   Mark Abraham
  • [gmx-users] installation problem   Jussi Lehtola
• [gmx-users] Porcupine Plots   nahren manuel
  • [gmx-users] Porcupine Plots   Mark Abraham
    • [gmx-users] Porcupine Plots   Tsjerk Wassenaar
      • Re (in reply to Tsjerk): [gmx-users] Porcupine Plots   nahren manuel
      • Re (in reply to Tsjerk): [gmx-users] Porcupine Plots   Tsjerk Wassenaar
    • [gmx-users] Porcupine Plots   Diego Enry Gomes
• [gmx-users] pdb2gmx: Bond type, Angle type, Dihedral angle type missing in topology file.   anoop dimri
  • [gmx-users] pdb2gmx: Bond type, Angle type, Dihedral angle type missing in topology file.   Mark Abraham
• [gmx-users] about dumping the last frame   Shirin Awasthi
  • [gmx-users] about dumping the last frame   nahren manuel
    • [gmx-users] about dumping the last frame   Tsjerk Wassenaar
• [gmx-users] CG   dota
  • [gmx-users] CG   doty alexiou
    • [gmx-users] CG   Justin A. Lemkul
• [gmx-users] protein crystallization   Santan William
  • [gmx-users] protein crystallization   Justin A. Lemkul
• [gmx-users] how to get the original pdb file about CG DNA model   He, Yang
  • [gmx-users] how to get the original pdb file about CG DNA mode   Dallas B. Warren
• [gmx-users] Martini + other " force field "   DAVID RINCON
  • [gmx-users] Martini + other " force field "   XAvier Periole
    • [gmx-users] Martini + other " force field "   Elton Carvalho
      • [gmx-users] Martini + other " force field "   XAvier Periole
      • [gmx-users] Martini + other " force field "   Jones de Andrade
• [gmx-users] energy groups   Liu Shiyong
  • [gmx-users] energy groups   Justin A. Lemkul
    • [gmx-users] energy groups   Liu Shiyong
      • [gmx-users] energy groups   Justin A. Lemkul
      • [gmx-users] energy groups   Liu Shiyong
      • [gmx-users] energy groups   Justin A. Lemkul
      • [gmx-users] energy groups   Liu Shiyong
      • [gmx-users] energy groups   Justin A. Lemkul
      • [gmx-users] energy groups   Mark Abraham
      • [gmx-users] energy groups   Liu Shiyong
      • [gmx-users] energy groups   Justin A. Lemkul
      • [gmx-users] energy groups   Mark Abraham
• [gmx-users] free energy with TIP4P bug fixed   Chris Neale
  • [gmx-users] free energy with TIP4P bug fixed   Berk Hess
    • [gmx-users] free energy with TIP4P bug fixed   bharat v. adkar
• [gmx-users] how to calculate the viscosity of the bulk   Yanmei Song
  • [gmx-users] how to calculate the viscosity of the bulk   Justin A. Lemkul
    • [gmx-users] how to calculate the viscosity of the bulk   Berk Hess
      • [gmx-users] how to calculate the viscosity of the bulk   Yanmei Song
      • [gmx-users] how to calculate the viscosity of the bulk   Yanmei Song
• [gmx-users] Re: IN4 molecule type error   Ms. Aswathy S
  • [gmx-users] Re: IN4 molecule type error   Justin A. Lemkul
    • [gmx-users] Re: IN4 molecule type error   Mark Abraham
  • [gmx-users] Re: IN4 molecule type error   Mark Abraham
• [gmx-users] free energy decomposition   friendli
  • [gmx-users] free energy decomposition   Berk Hess
• [gmx-users] segmentation fault   Sunil Thapa
  • [gmx-users] segmentation fault   David van der Spoel
• [gmx-users] constructing polymer.itp files from monomer files obtained from prodrg server   varsha gautham
  • [gmx-users] constructing polymer.itp files from monomer files obtained from prodrg server   Justin A. Lemkul
• [gmx-users] set up self assembly for mixture of lipids using genbox   maria goranovic
  • [gmx-users] set up self assembly for mixture of lipids using genbox   Mark Abraham
• [gmx-users] buckingham & pairs   Luca De Gaetani
• [gmx-users] Re: set up self assembly for mixture of lipids using genbox   maria goranovic
  • [gmx-users] Re: set up self assembly for mixture of lipids using genbox   Mark Abraham
    • [gmx-users] Benchmarks for 4.0.X   Dallas B. Warren
• [gmx-users] RPM and double precision   Casey,Richard
  • [gmx-users] RPM and double precision   Berk Hess
• [gmx-users] langevin dynamics and manual   Marius Retegan
• [gmx-users] RPM and double precision   Casey,Richard
  • [gmx-users] RPM and double precision   Justin A. Lemkul
• [gmx-users] is the tip4p MW velocity treated differently in gromacs 3 vs 4   Chris Neale
  • [gmx-users] is the tip4p MW velocity treated differently in gromacs 3 vs 4   David van der Spoel
• [gmx-users] is the tip4p MW velocity treated differently in gromacs 3 vs 4   Chris Neale
• [gmx-users] Free energy perturbation of Cu(I) binding   Polavarapu, Abhigna
  • [gmx-users] Free energy perturbation of Cu(I) binding   David Mobley
    • [gmx-users] Free energy perturbation of Cu(I) binding   abhigna polavarapu
      • [gmx-users] Free energy perturbation of Cu(I) binding   Mark Abraham
      • [gmx-users] Free energy perturbation of Cu(I) binding   abhigna polavarapu
      • [gmx-users] Free energy perturbation of Cu(I) binding   Mark Abraham
      • [gmx-users] Free energy perturbation of Cu(I) binding   abhigna polavarapu
      • [gmx-users] Free energy perturbation of Cu(I) binding   Mark Abraham
      • [gmx-users] Free energy perturbation of Cu(I) binding   David Mobley
      • [gmx-users] Free energy perturbation of Cu(I) binding   abhigna polavarapu
• [gmx-users] is the tip4p MW velocity treated differently in gromacs 3 vs 4   Chris Neale
  • [gmx-users] is the tip4p MW velocity treated differently in gromacs 3 vs 4   David van der Spoel
    • [gmx-users] is the tip4p MW velocity treated differently in gromacs 3 vs 4   Berk Hess
      • [gmx-users] is the tip4p MW velocity treated differently in gromacs 3 vs 4   Berk Hess
• [gmx-users] Missing atom error when using some force fields   Peggy Yao
  • [gmx-users] Missing atom error when using some force fields   Justin A. Lemkul
    • [gmx-users] Re: Benchmarks for 4.0.X   Dallas B. Warren
      • [gmx-users] RE: Benchmarks for 4.0.X   Dallas B. Warren
• [gmx-users] monoclinic super cell   farzaneh fatahi
• [gmx-users] monoclinic super cell   farzaneh fatahi
• [gmx-users] monoclinic super cell   farzaneh fatahi
• [gmx-users] monoclinic super cell   farzaneh fatahi
• [gmx-users] monoclinic super cell   farzaneh fatahi
• [gmx-users] monoclinic super cell   farzaneh fatahi
  • [gmx-users] monoclinic super cell   Martyn Winn
• [gmx-users] g_hbond problem to select donor atoms in drug   geeta kant
  • [gmx-users] g_hbond problem to select donor atoms in drug   Mark Abraham
    • [gmx-users] g_hbond problem to select donor atoms in drug   David van der Spoel
• [gmx-users] Fatal error: Could only find a forcefield type for 106 out of 270 atoms   darrellk at ece.ubc.ca
  • [gmx-users] Fatal error: Could only find a forcefield type for 106 out of 270 atoms   David van der Spoel
• [gmx-users] analyzing beta factor   özge kül
  • [gmx-users] analyzing beta factor   David van der Spoel
    • [gmx-users] analyzing beta factor   özge kül
      • [gmx-users] analyzing beta factor   David van der Spoel
      • [gmx-users] analyzing beta factor   Martyn Winn
      • [gmx-users] analyzing beta factor   David van der Spoel
      • [gmx-users] analyzing beta factor   Martyn Winn
• [gmx-users] 3Dplot   Alessandro Casoni
  • [gmx-users] 3Dplot   David van der Spoel
    • [gmx-users] 3Dplot   Alessandro Casoni
• [gmx-users] Problem compiling gromacs with mopac   Subhrangshu Supakar
• [gmx-users] is the tip4p MW velocity treated differently in gromacs 3 vs 4   chris.neale at utoronto.ca
• [gmx-users] Poor parallel performance in Ubuntu 8.04   Alexandre Suman de Araujo
  • [gmx-users] Poor parallel performance in Ubuntu 8.04   Jussi Lehtola
• [gmx-users] micelle disaggregated in serial, but not parallel, runs using sd integrator   chris.neale at utoronto.ca
  • [gmx-users] micelle disaggregated in serial, but not parallel, runs using sd integrator   Berk Hess
• [gmx-users] Poor parallel performance in Ubuntu 8.04   Jussi Lehtola
  • [gmx-users] Poor parallel performance in Ubuntu 8.04   Alexandre Suman de Araujo
• [gmx-users] micelle disaggregated in serial, but not parallel, runs using sd integrator   chris.neale at utoronto.ca
  • [gmx-users] micelle disaggregated in serial, but not parallel, runs using sd integrator   Berk Hess
• [gmx-users] micelle disaggregated in serial, but not parallel, runs using sd integrator   Chris Neale
• [gmx-users] Parallel running of mdrun   Dallas B. Warren
• [gmx-users] Parallel running of mdrun   Chris Neale
  • [gmx-users] Parallel running of mdrun   Dallas B. Warren
• [gmx-users] micelle disaggregated in serial, but not parallel, runs using sd integrator   Chris Neale
  • [gmx-users] micelle disaggregated in serial, but not parallel, runs using sd integrator   Berk Hess
    • [gmx-users] micelle disaggregated in serial, but not parallel, runs using sd integrator   Ran Friedman
      • [gmx-users] micelle disaggregated in serial, but not parallel, runs using sd integrator   Berk Hess
      • [gmx-users] micelle disaggregated in serial, but not parallel, runs using sd integrator   Ran Friedman
• [gmx-users] Rtp for polymer.   varsha gautham
  • [gmx-users] Rtp for polymer.   Mark Abraham
  • [gmx-users] Rtp for polymer.   Andrea Muntean
• [gmx-users] Gromacs and ssh problem   Bernhard Knapp
  • [gmx-users] Gromacs and ssh problem   Mark Abraham
• [gmx-users] heat exchanges   Carlo Camilloni
  • [gmx-users] heat exchanges   XAvier Periole
    • [gmx-users] heat exchanges   David van der Spoel
      • [gmx-users] heat exchanges   Berk Hess
      • [gmx-users] heat exchanges   David van der Spoel
      • [gmx-users] heat exchanges   XAvier Periole
      • [gmx-users] heat exchanges   Berk Hess
      • [gmx-users] heat exchanges   XAvier Periole
• [gmx-users] Re: gmx-users Digest, Vol 58, Issue 31   Prof. Ettore Bismuto
• [gmx-users] Re: IN4 molecule type error   Ms. Aswathy S
• [gmx-users] Re: gmx-users Digest, Vol 58, Issue 33   Carlo Camilloni
• [gmx-users] Is Gromacs CUDA compatible   Jagdish S. Varma
  • [gmx-users] Is Gromacs CUDA compatible   Vasilii Artyukhov
• [gmx-users] heat exchanges   chris.neale at utoronto.ca
  • [gmx-users] heat exchanges   Berk Hess
• [gmx-users] micelle disaggregated in serial, but not parallel, runs using sd integrator   Chris Neale
• [gmx-users] Residue name   Dinesh Pinisetty
  • [gmx-users] Residue name   Justin A. Lemkul
• [gmx-users] shake for water   David Mobley
  • [gmx-users] shake for water   David van der Spoel
    • [gmx-users] shake for water   Berk Hess
      • [gmx-users] shake for water   David van der Spoel
      • [gmx-users] shake for water   Berk Hess
      • [gmx-users] shake for water   Berk Hess
      • [gmx-users] shake for water   David Mobley
      • [gmx-users] shake for water   Berk Hess
      • [gmx-users] shake for water   David Mobley
      • [gmx-users] shake for water   David van der Spoel
      • [gmx-users] shake for water   David Mobley
  • [gmx-users] shake for water   Berk Hess
    • [gmx-users] shake for water   David Mobley
• [gmx-users] heat exchanges   Chris Neale
  • [gmx-users] heat exchanges   Berk Hess
• [gmx-users] about the repelling of DNA base pair   He, Yang
  • [gmx-users] about the repelling of DNA base pair   Mark Abraham
  • [gmx-users] about the repelling of DNA base pair   Justin A. Lemkul
    • [gmx-users] about the repelling of DNA base pair   He, Yang
      • [gmx-users] about the repelling of DNA base pair   Justin A. Lemkul
• [gmx-users] Free energy perturbation of Cu(I) binding   chris.neale at utoronto.ca
• [gmx-users] g_hbond angle def   rob yang
  • [gmx-users] g_hbond angle def   David van der Spoel
    • [gmx-users] g_hbond angle def   rob yang
      • [gmx-users] g_hbond angle def   David van der Spoel
      • [gmx-users] g_hbond angle def   rob yang
• [gmx-users] Reidue UNK not found   ksm tprk
  • [gmx-users] Reidue UNK not found   Dallas B. Warren
• [gmx-users] Nicelevel default 0 - mdrun_mpi of Gromacs 4.0.2   João M. Damas
  • [gmx-users] Nicelevel default 0 - mdrun_mpi of Gromacs 4.0.2   Berk Hess
    • [gmx-users] Nicelevel default 0 - mdrun_mpi of Gromacs 4.0.2   João M. Damas
      • [gmx-users] Nicelevel default 0 - mdrun_mpi of Gromacs 4.0.2   Berk Hess
      • [gmx-users] Nicelevel default 0 - mdrun_mpi of Gromacs 4.0.2   João M. Damas
• [gmx-users] Continuous polymer chain?   Joshua Ballanco
  • [gmx-users] Continuous polymer chain?   Justin A. Lemkul
  • [gmx-users] Continuous polymer chain?   David van der Spoel
    • [gmx-users] Continuous polymer chain?   Joshua Ballanco
• [gmx-users] about g_wham   Jochen Hub
• [gmx-users] QMMM/mopac install   osmair oliveira
  • [gmx-users] QMMM/mopac install   Justin A. Lemkul
    • [gmx-users] QMMM/mopac install   osmair oliveira
• [gmx-users] QMMM/mopac install   Justin A. Lemkul
• [gmx-users] Place compound in membrane   Casey,Richard
  • [gmx-users] Place compound in membrane   Justin A. Lemkul
• [gmx-users] cCntinue running in Gromacs 4.0   xuji
• [gmx-users] Continue running in Gromacs 4.0   xuji
  • [gmx-users] Continue running in Gromacs 4.0   Mark Abraham
• [gmx-users] (no subject)   Sunil Thapa
  • [gmx-users] (no subject)   Mark Abraham
• [gmx-users] How to get log written to file ...   Dallas B. Warren
  • [gmx-users] How to get log written to file ...   Mark Abraham
    • [gmx-users] How to get log written to file ...   Dallas B. Warren
      • [gmx-users] Continuation of Runs and Checkpoint File Use   Dallas B. Warren
      • [gmx-users] RE: Continuation of Runs and Checkpoint File Use   Dallas B. Warren
      • [gmx-users] 4.0.3 goes off into la la land .... infinite loop   Dallas B. Warren
      • [gmx-users] 4.0.3 goes off into la la land .... infinite loop   Mark Abraham
      • [gmx-users] 4.0.3 goes off into la la land .... infinite loop   Dallas B. Warren
      • [gmx-users] 4.0.3 goes off into la la land .... infinite loop   Dallas B. Warren
      • [gmx-users] Possible to stop mdrun changing file names when using checkpoint files?   Dallas B. Warren
      • [gmx-users] Possible to stop mdrun changing file names when using checkpoint files?   Justin A. Lemkul
      • [gmx-users] Possible to stop mdrun changing file names when usingcheckpoint files?   Dallas B. Warren
    • [gmx-users] gromacs to DLPOLY   ROHIT MALSHE
• [gmx-users] Pull Peptide Apart   Joseph Johnson
  • [gmx-users] Pull Peptide Apart   Mark Abraham
• [gmx-users] grompp error   Q. Y. HUAN
  • [gmx-users] grompp error   Justin A. Lemkul
    • [gmx-users] grompp error   Q. Y. HUAN
      • [gmx-users] grompp error   Mark Abraham
• [gmx-users] lantibiotics   Peter Tieleman
• [gmx-users] Martini Cg-model can not be downloaded!   xi zhao
  • [gmx-users] Martini Cg-model can not be downloaded!   XAvier Periole
  • [gmx-users] Martini Cg-model can not be downloaded!   Andrei Neamtu
  • [gmx-users] Martini Cg-model can not be downloaded!   weixin
    • [gmx-users] Martini Cg-model can not be downloaded!   XAvier Periole
      • [gmx-users] Martini Cg-model can not be downloaded!   weixin
      • [gmx-users] Martini Cg-model can not be downloaded!   XAvier Periole
• [gmx-users] Re: Martini Cg-model can not be downloaded!   Andrei Neamtu
• [gmx-users] (no subject)   Sunil Thapa
  • [gmx-users] (no subject)   Justin A. Lemkul
• [gmx-users] energy and coordinates at different times   Robert Fenwick
  • [gmx-users] energy and coordinates at different times   Justin A. Lemkul
• [gmx-users] Magic Number Error in XTC file   Rebeca García Fandiño
  • [gmx-users] Magic Number Error in XTC file   Justin A. Lemkul
• [gmx-users] Formating PDB Files   Jack Shultz
  • [gmx-users] Formating PDB Files   Justin A. Lemkul
• [gmx-users] P-N vector orientation   ANINDITA GAYEN
  • [gmx-users] P-N vector orientation   XAvier Periole
  • [gmx-users] P-N vector orientation   Nicolas
  • [gmx-users] P-N vector orientation   Nicolas
    • [gmx-users] P-N vector orientation   Berk Hess
    • [gmx-users] P-N vector orientation   patrick fuchs
• [gmx-users] question about .trr file   Anna Marabotti
  • [gmx-users] question about .trr file   Justin A. Lemkul
  • [gmx-users] question about .trr file   Mark Abraham
• [gmx-users] Virial from non-bonded forces   Omololu Akin-Ojo
  • [gmx-users] Virial from non-bonded forces   David van der Spoel
    • [gmx-users] Virial from non-bonded forces   Omololu Akin-Ojo
• [gmx-users] Re: Martini Cg-model can not be downloaded!   sobereva
• [gmx-users] Gromacs 4.0 Benchmarks   Robert Fenwick
  • [gmx-users] Gromacs 4.0 Benchmarks   Justin A. Lemkul
• [gmx-users] funny zero-step mdrun results in 4.0.3   David Mobley
  • [gmx-users] funny zero-step mdrun results in 4.0.3   David van der Spoel
    • [gmx-users] funny zero-step mdrun results in 4.0.3   David Mobley
      • [gmx-users] funny zero-step mdrun results in 4.0.3   Berk Hess
      • [gmx-users] funny zero-step mdrun results in 4.0.3   David Mobley
      • [gmx-users] funny zero-step mdrun results in 4.0.3   Berk Hess
      • [gmx-users] funny zero-step mdrun results in 4.0.3   Berk Hess
      • [gmx-users] funny zero-step mdrun results in 4.0.3   Berk Hess
• [gmx-users] DOPC + Cholesterol topology and forcefield files   Hari Shankar M
• [gmx-users] R: Re: question about .trr file   Anna Marabotti
• [gmx-users] Re: gmx-users Digest, Vol 58, Issue 59   Robert Fenwick
  • [gmx-users] Re: gmx-users Digest, Vol 58, Issue 59   Justin A. Lemkul
• [gmx-users] g_wham Error bars   Raphael Alhadeff
  • [gmx-users] g_wham Error bars   Nicolas
  • [gmx-users] g_wham Error bars   Jochen Hub
• [gmx-users] Barostat & Density decreasing to zero   Omer Markovitch
  • [gmx-users] Barostat & Density decreasing to zero   Ran Friedman
• [gmx-users] Re: gmx-users Digest, Vol 58, Issue 61   Robert Fenwick
• [gmx-users] gromacs 4.0.3 tests validations   Tru Huynh
  • [gmx-users] gromacs 4.0.3 tests validations   Ran Friedman
    • [gmx-users] gromacs 4.0.3 tests validations   Tru Huynh
      • [gmx-users] gromacs 4.0.3 tests validations   Justin A. Lemkul
      • [gmx-users] gromacs 4.0.3 tests validations   David van der Spoel
      • [gmx-users] gromacs 4.0.3 tests validations   David van der Spoel
• [gmx-users] template   Alexander Malafeev
  • [gmx-users] template   Mark Abraham
    • [gmx-users] template   Alexander Malafeev
      • [gmx-users] template   Mark Abraham
• [gmx-users] Problem with continuation of files using checkpoint files   Monika Sharma
  • [gmx-users] Problem with continuation of files using checkpoint files   Berk Hess
• [gmx-users] PR dynamics   bhargavi ch
• [gmx-users] position restraint dynamics   bhargavi ch
  • [gmx-users] position restraint dynamics   Justin A. Lemkul
• [gmx-users] (no subject)   sharada
  • [gmx-users] (no subject)   Nuno Azoia
    • [gmx-users] SIMULATED ANNEALING   sharada
      • [gmx-users] SIMULATED ANNEALING   Mark Abraham
      • [gmx-users] SIMULATED ANNEALING   sharada
      • [gmx-users] SIMULATED ANNEALING   Mark Abraham
• [gmx-users] mass of a index group   Christian Seifert
  • [gmx-users] mass of a index group   David van der Spoel
    • [gmx-users] mass of a index group   Christian Seifert
      • [gmx-users] mass of a index group   Justin A. Lemkul
      • [gmx-users] mass of a index group   Christian Seifert
• [gmx-users] Physical problems of comm removal   Christian Seifert
  • [gmx-users] Physical problems of comm removal   Berk Hess
    • [gmx-users] Physical problems of comm removal   Christian Seifert
      • [gmx-users] Physical problems of comm removal   Berk Hess
      • [gmx-users] Physical problems of comm removal   Christian Seifert
      • [gmx-users] Physical problems of comm removal   Berk Hess
      • [gmx-users] Physical problems of comm removal   Justin A. Lemkul
      • [gmx-users] Physical problems of comm removal   XAvier Periole
• [gmx-users] position restraint dynamics   bhargavi ch
• [gmx-users] position restraint dynamics   chris.neale at utoronto.ca
• [gmx-users] pull code, lambda, and soft core availability   chris.neale at utoronto.ca
  • [gmx-users] pull code, lambda, and soft core availability   Matt Wyczalkowski
• [gmx-users] pull code, lambda, and soft core availability   chris.neale at utoronto.ca
• [gmx-users] checkpoint   jayant james
  • [gmx-users] checkpoint   Justin A. Lemkul
• [gmx-users] Problem with decane box   Ragnarok sdf
  • [gmx-users] Problem with decane box   Justin A. Lemkul
• [gmx-users] pull code, lambda, and soft core availability   chris.neale at utoronto.ca
• [gmx-users] g_wham Error bars   chris.neale at utoronto.ca
• [gmx-users] Number of Frames in Trajectory   varsha gautham
  • [gmx-users] Number of Frames in Trajectory   Mark Abraham
• [gmx-users] how to get a solvent density map using volumeslice in VMD   Jinyao Wang
• [gmx-users] Nehalem   Rainer Bockmann
• [gmx-users] .mdp file for polymer   varsha gautham
  • [gmx-users] .mdp file for polymer   Mark Abraham
• [gmx-users] Re: Nehalem   sobereva
  • [gmx-users] Re: Nehalem   Jones de Andrade
• [gmx-users] Problem using MPIRUN MDRUN   fprisch at nimr.mrc.ac.uk
  • [gmx-users] Problem using MPIRUN MDRUN   osmair oliveira
• [gmx-users] Problem using MPIRUN MDRUN   Mark Abraham
  • [gmx-users] Problem using MPIRUN MDRUN   fprisch at nimr.mrc.ac.uk
• [gmx-users] how to get a solvent density map using volumeslice in VMD   chris.neale at utoronto.ca
• [gmx-users] Problem with different version   Shaghayegh Vafaei
• [gmx-users] Langevin Dyanamics in GROMACS   M Hafizur Rahman
  • [gmx-users] Langevin Dyanamics in GROMACS   Justin A. Lemkul
    • [gmx-users] Langevin Dyanamics in GROMACS   M Hafizur Rahman
      • [gmx-users] Langevin Dyanamics in GROMACS   Mark Abraham
• [gmx-users] Problem using MPIRUN MDRUN   Mark Abraham
  • [gmx-users] Problem using MPIRUN MDRUN   fprisch at nimr.mrc.ac.uk
• [gmx-users] Atom index overflow after adding water   Peggy Yao
  • [gmx-users] Atom index overflow after adding water   Justin A. Lemkul
    • [gmx-users] Atom index overflow after adding water   Peggy Yao
      • [gmx-users] Atom index overflow after adding water   Mark Abraham
      • [gmx-users] Atom index overflow after adding water   Peggy Yao
      • [gmx-users] Atom index overflow after adding water   Justin A. Lemkul
      • [gmx-users] Atom index overflow after adding water   Peggy Yao
• [gmx-users] Re: Chris   Jinyao Wang
• [gmx-users] g_spatial and vmd volume slice (was "chris")   chris.neale at utoronto.ca
• [gmx-users] Problem with different version!!   Shaghayegh Vafaei
  • [gmx-users] Problem with different version!!   Justin A. Lemkul
• [gmx-users] How to show the created box?   Chih-Ying Lin
  • [gmx-users] How to show the created box?   Mark Abraham
    • [gmx-users] extrnal itp files   bhf70
      • [gmx-users] extrnal itp files   Mark Abraham
      • [gmx-users] extrnal itp files   bhf70
      • [gmx-users] extrnal itp files   XAvier Periole
    • [gmx-users] How to show the created box?   Lucio Montero
  • [gmx-users] How to show the created box?   Dallas B. Warren
  • [gmx-users] How to show the created box?   Matt Wyczalkowski
• [gmx-users] .mdp file for polymer   varsha gautham
  • [gmx-users] .mdp file for polymer   Mark Abraham
  • [gmx-users] .mdp file for polymer   Berk Hess
  • [gmx-users] .mdp file for polymer   Berk Hess
• [gmx-users] Problem using MPIRUN MDRUN   Mark Abraham
• [gmx-users] One question about Domain decomposition   xuji
  • [gmx-users] One question about Domain decomposition   Berk Hess
• [gmx-users] Oscillating Electrical Field   Benjamin Hall
  • [gmx-users] Oscillating Electrical Field   David van der Spoel
• [gmx-users] The difference about NPT and NVT ensemble.   fufengliu
  • [gmx-users] The difference about NPT and NVT ensemble.   Justin A. Lemkul
  • [gmx-users] The difference about NPT and NVT ensemble.   Dallas B. Warren
• [gmx-users] Question about confining simulations to inert spherical pores   Chester McLester
• [gmx-users] Possible to stop mdrun changing file names when using checkpoint files?   chris.neale at utoronto.ca
  • [gmx-users] Possible to stop mdrun changing file names when usingcheckpoint files?   Dallas B. Warren
    • [gmx-users] Possible to stop mdrun changing file names when usingcheckpoint files?   Berk Hess
      • [gmx-users] Possible to stop mdrun changing file names whenusingcheckpoint files?   Dallas B. Warren
• [gmx-users] RE:RE: One question about Domain decomposition   xuji
  • [gmx-users] RE:RE: One question about Domain decomposition   Berk Hess
• [gmx-users] New ffAMBER Ports   Eric J. Sorin
• [gmx-users] Re:Re: g_spatial and vmd volume slice   Jinyao Wang
  • [gmx-users] Re:Re: g_spatial and vmd volume slice   XAvier Periole
• [gmx-users] Re: New ffAMBER Ports (Eric J. Sorin)   Alan
• [gmx-users] GROMACS Error   Srinivasan Ramachandran
  • [gmx-users] GROMACS Error   Justin A. Lemkul
• [gmx-users] R: neighborsearching error   Anna Marabotti
  • [gmx-users] R: neighborsearching error   Justin A. Lemkul
• [gmx-users] RE: RE: RE:RE: One question about Domain decomposition   xuji
  • [gmx-users] RE: RE: RE:RE: One question about Domain decomposition   Berk Hess
• [gmx-users] Help with apolar solvent box   Ragnarok sdf
  • [gmx-users] Help with apolar solvent box   Justin A. Lemkul
• [gmx-users] R: neighborsearching error   Anna Marabotti
  • [gmx-users] R: neighborsearching error   Justin A. Lemkul
• [gmx-users] problem with variable fio in REMD   Rebeca García Fandiño
• [gmx-users] problem with variable fio in REMD   Rebeca García Fandiño
  • [gmx-users] problem with variable fio in REMD   Justin A. Lemkul
• [gmx-users] Re: help with neighborsearching error   Justin A. Lemkul
  • [gmx-users] R: help with neighborsearching error   Anna Marabotti
    • [gmx-users] R: help with neighborsearching error   Justin A. Lemkul
      • [gmx-users] R: help with neighborsearching error   Justin A. Lemkul
• [gmx-users] Seg Fault in water and alcohol run   Caleb Carlin
• [gmx-users] RE: Help with apolar solvent box   Vitaly Chaban
  • [gmx-users] Re: Help with apolar solvent box   Ragnarok sdf
    • [gmx-users] Re: Help with apolar solvent box   Justin A. Lemkul
• [gmx-users] Gromacs-4.0.4 released   Erik Lindahl
• [gmx-users] g_spatial and vmd volume slice   Chris Neale
• [gmx-users] g_spatial and vmd volume slice   Chris Neale
  • [gmx-users] g_spatial and vmd volume slice   XAvier Periole
• [gmx-users] Gromacs and MPI   Ricardo Tosta
  • [gmx-users] Gromacs and MPI   Justin A. Lemkul
• [gmx-users] anomalous free energy dgdl.xvg values every nstlist steps while using a twin-range cutoff   Chris Neale
  • [gmx-users] anomalous free energy dgdl.xvg values every nstlist steps while using a twin-range cutoff   Berk Hess
• [gmx-users] Difference between command pdb2gmx and pdb2gmx_d   Peggy Yao
  • [gmx-users] Difference between command pdb2gmx and pdb2gmx_d   Justin A. Lemkul
  • [gmx-users] Difference between command pdb2gmx and pdb2gmx_d   pedro alberto valiente flores
  • [gmx-users] Difference between command pdb2gmx and pdb2gmx_d   Dallas B. Warren
• [gmx-users] Number of processors in parallel running   Peggy Yao
  • [gmx-users] Number of processors in parallel running   Justin A. Lemkul
    • [gmx-users] Number of processors in parallel running   Peggy Yao
      • [gmx-users] Number of processors in parallel running   Justin A. Lemkul
• [gmx-users] Which force field to use to study intra-molecular hydrogen bonding?   Peggy Yao
  • [gmx-users] Which force field to use to study intra-molecular hydrogen bonding?   Justin A. Lemkul
• [gmx-users] making .psf file based on .gro or .pdb   Hideya Nakamura
• [gmx-users] making .psf file based on .gro or .pdb   Chris Neale
• [gmx-users] Problem with adding H using amber03   Peggy Yao
  • [gmx-users] Problem with adding H using amber03   Justin A. Lemkul
• [gmx-users] NVT or NPT ?   Chih-Ying Lin
• [gmx-users] NVT or NPT ?   chris.neale at utoronto.ca
  • [gmx-users] NVT or NPT ?   Tsjerk Wassenaar
• [gmx-users] grompp error- Excluding 3 bonded neighbours-Fatal error   Dean Cuebas
  • [gmx-users] grompp error- Excluding 3 bonded neighbours-Fatal error   Mark Abraham
• [gmx-users] RE: NVT or NPT ?   Vitaly Chaban
• [gmx-users] Re: grompp error- Excluding 3 bonded neighbours-Fatal error   sanjay23 at iitb.ac.in
• [gmx-users] Genbox problem with TIP4P water with OPLS   Chao Zhang
  • [gmx-users] Genbox problem with TIP4P water with OPLS   Mark Abraham
    • [gmx-users] Genbox problem with TIP4P water with OPLS   Chao Zhang
      • [gmx-users] Genbox problem with TIP4P water with OPLS   Mark Abraham
      • [gmx-users] Genbox problem with TIP4P water with OPLS   Marc F. Lensink
• [gmx-users] R: R: help with neighborsearching error   Anna Marabotti
  • [gmx-users] R: R: help with neighborsearching error   Justin A. Lemkul
• [gmx-users] gromacs QM/MM   Jacopo Sgrignani
• [gmx-users] ewald_rtol parameter question   Claus Valka
• [gmx-users] ewald_rtol parameter question   Claus Valka
  • [gmx-users] ewald_rtol parameter question   Mark Abraham
    • [gmx-users] ewald_rtol parameter question   Berk Hess
• Subject: [gmx-users] gromacs QM/MM   Gerrit Groenhof
• [gmx-users] g_mdmat   rob yang
• [gmx-users] g_spatial and vmd volume slice   chris.neale at utoronto.ca
• [gmx-users] gromacs-4.0.2, parallel performance in two quad core xeon machines   Claus Valka
• [gmx-users] combination rules   Shuangxing Dai
  • [gmx-users] combination rules   Justin A. Lemkul
• [gmx-users] anomalous free energy dgdl.xvg values every nstlist steps while using a twin-range cutoff   chris.neale at utoronto.ca
  • [gmx-users] anomalous free energy dgdl.xvg values every nstlist steps while using a twin-range cutoff   Berk Hess
• [gmx-users] combination rules -- the part about the combination rules   chris.neale at utoronto.ca
  • [gmx-users] combination rules -- the part about the combination rules   Berk Hess
    • [gmx-users] combination rules -- the part about the combinationrules   Shuangxing Dai
      • [gmx-users] combination rules -- the part about the combinationrules   Mark Abraham
      • [gmx-users] combination rules -- the part aboutthe combinationrules   Shuangxing Dai
      • [gmx-users] combination rules -- the part aboutthe combinationrules   Berk Hess
      • [gmx-users] combination rules -- the part aboutthecombinationrules   Shuangxing Dai
      • [gmx-users] combination rules -- the part aboutthecombinationrules   Mark Abraham
      • [gmx-users] combination rules -- the part aboutthecombinationrules   Shuangxing Dai
      • [gmx-users] combination rules -- the part aboutthecombinationrules   Mark Abraham
      • [gmx-users] combination rules -- the part aboutthecombinationrules   Berk Hess
• [gmx-users] Gromac 4 support in Chimera   Eric Pettersen
• [gmx-users] gromacs-4.0.2, parallel performance in two quad core xeon machines   Claus Valka
  • [gmx-users] gromacs-4.0.2, parallel performance in two quad core xeon machines   Berk Hess
• [gmx-users] problem in gromacs installation   nitu sharma
  • [gmx-users] problem in gromacs installation   Mark Abraham
  • [gmx-users] problem in gromacs installation   Manik Mayur
• [gmx-users] Problem in preparation of the enzyme/substrate complex   Ji Liu
  • [gmx-users] Problem in preparation of the enzyme/substrate complex   Mark Abraham
    • [gmx-users] Problem in preparation of the enzyme/substrate complex   Ji Liu
      • [gmx-users] Problem in preparation of the enzyme/substrate complex   Tsjerk Wassenaar
      • [gmx-users] Problem in preparation of the enzyme/substrate complex   Ji Liu
      • [gmx-users] Problem in preparation of the enzyme/substrate complex   Tsjerk Wassenaar
      • [gmx-users] Problem in preparation of the enzyme/substrate complex   Ji Liu
      • [gmx-users] Problem in preparation of the enzyme/substrate complex   Justin A. Lemkul
      • [gmx-users] Problem in preparation of the enzyme/substrate complex   Tsjerk Wassenaar
      • [gmx-users] Problem in preparation of the enzyme/substrate complex   Mark Abraham
      • [gmx-users] Problem in preparation of the enzyme/substrate complex   Ji Liu
      • [gmx-users] Problem in preparation of the enzyme/substrate complex   Tsjerk Wassenaar
• [gmx-users] Re: grompp error- Excluding 3 bonded neighbours-Fatal (Dean Cuebas)   Dean Cuebas
  • [gmx-users] Re: grompp error- Excluding 3 bonded neighbours-Fatal (Dean Cuebas)   Mark Abraham
• [gmx-users] input the gro and trr file into the VMD   He, Yang
• [gmx-users] trajectory file in the VMD   He, Yang
• [gmx-users] input the gro and trr file into the VMD   He, Yang
  • [gmx-users] input the gro and trr file into the VMD   XAvier Periole
• [gmx-users] (no subject)   He, Yang
• [gmx-users] problem in gromacs installation   nitu sharma
  • [gmx-users] problem in gromacs installation   XAvier Periole
• [gmx-users] gromacs 4.0.4 kernel testing failure x86_64/linux   Tru Huynh
• [gmx-users] Virtual atom   Georgios Patargias
  • [gmx-users] Virtual atom   Tsjerk Wassenaar
• [gmx-users] replica restart from checkpoints   Massimiliano Bonomi
  • [gmx-users] replica restart from checkpoints   Berk Hess
    • [gmx-users] replica restart from checkpoints   Massimiliano Bonomi
      • [gmx-users] replica restart from checkpoints   Berk Hess
      • [gmx-users] replica restart from checkpoints   Massimiliano Bonomi
      • [gmx-users] replica restart from checkpoints   Berk Hess
      • [gmx-users] replica restart from checkpoints   Massimiliano Bonomi
      • [gmx-users] replica restart from checkpoints   Berk Hess
• [gmx-users] input the gro and trr file into the VMD   He, Yang
  • [gmx-users] input the gro and trr file into the VMD   Justin A. Lemkul
    • [gmx-users] input the gro and trr file into the VMD   He, Yang
      • [gmx-users] input the gro and trr file into the VMD   Berk Hess
• [gmx-users] Ligand is moving far away after energy minimization   Ms. Aswathy S
  • [gmx-users] Ligand is moving far away after energy minimization   Justin A. Lemkul
• [gmx-users] problem in gromacs installation   nitu sharma
  • [gmx-users] problem in gromacs installation   Mark Abraham
  • [gmx-users] problem in gromacs installation   Manik Mayur
• [gmx-users] Error after Mdrun   Nikit sharan
  • [gmx-users] Error after Mdrun   Mark Abraham
• [gmx-users] C-terminal amide capping   ANINDITA GAYEN
  • [gmx-users] C-terminal amide capping   Justin A. Lemkul
  • [gmx-users] C-terminal amide capping   pedro alberto valiente flores
• [gmx-users] pre-compiled MacOS 3.3.2 gmx_sumi error   Dean Cuebas
  • [gmx-users] pre-compiled MacOS 3.3.2 gmx_sumi error   Tsjerk Wassenaar
  • [gmx-users] pre-compiled MacOS 3.3.2 gmx_sumi error   Mark Abraham
    • [gmx-users] pre-compiled MacOS 3.3.2 gmx_sumi error   Tsjerk Wassenaar
• [gmx-users] finite element methods   Sagittarius
  • [gmx-users] finite element methods   Mark Abraham
• [gmx-users] problem in running gromacs   nitu sharma
  • [gmx-users] problem in running gromacs   Mark Abraham
    • [gmx-users] problem in running gromacs   Tsjerk Wassenaar
• [gmx-users] segmentation fault after mdrun   Nikit sharan
  • [gmx-users] segmentation fault after mdrun   Mark Abraham
    • [gmx-users] segmentation fault after mdrun   Justin A. Lemkul
• [gmx-users] capping in c terminal   shahrbanoo karbalaee
  • [gmx-users] capping in c terminal   Mark Abraham
• [gmx-users] Insertion of polymer into bilayer   varsha gautham
  • [gmx-users] Insertion of polymer into bilayer   Mark Abraham
• [gmx-users] problem in running gromacs   nitu sharma
  • [gmx-users] problem in running gromacs   Manik Mayur
  • [gmx-users] problem in running gromacs   Mark Abraham
• [gmx-users] Segfault with the v-rescale thermostat in Gromacs 4.0.3   Ondrej Marsalek
  • [gmx-users] Segfault with the v-rescale thermostat in Gromacs 4.0.3   Berk Hess
• [gmx-users] using packmol in Gromacs 3   John Bennett
  • [gmx-users] using packmol in Gromacs 3   Justin A. Lemkul
• [gmx-users] About the binary identical continuation by restarting from the checkpoint file   GuoGuangjun
  • [gmx-users] About the binary identical continuation by restarting from the checkpoint file   Mark Abraham
    • [gmx-users] About the binary identical continuation by restarting from the checkpoint file   GuoGuangjun
      • [gmx-users] About the binary identical continuation by restarting from the checkpoint file   Berk Hess
      • [gmx-users] About the binary identical continuation by restarting from the checkpoint file   GuoGuangjun
      • [gmx-users] About the binary identical continuation by restarting from the checkpoint file   Mark Abraham
      • [gmx-users] About the binary identical continuation by restarting from the checkpoint file   Berk Hess
• [gmx-users] pull_pbcatom appears global and could benifit from a sanity check during grompp   chris.neale at utoronto.ca
  • [gmx-users] pull_pbcatom appears global and could benifit from a sanity check during grompp   Berk Hess
• [gmx-users] problem in gromacs installation   nitu sharma
  • [gmx-users] problem in gromacs installation   Mark Abraham
• [gmx-users] mdrun halting   varsha gautham
  • [gmx-users] mdrun halting   Justin A. Lemkul
• [gmx-users] segmentation fault after mdrun   Nikit sharan
  • [gmx-users] segmentation fault after mdrun   Carsten Kutzner
  • [gmx-users] segmentation fault after mdrun   Justin A. Lemkul
• [gmx-users] How to define new residue in GROMACS?   Yiming Chen
  • [gmx-users] How to define new residue in GROMACS?   Tsjerk Wassenaar
• [gmx-users] protein structure prediction   José Carlos Calvo Tudela
  • [gmx-users] protein structure prediction   Mark Abraham
    • [gmx-users] protein structure prediction   Per Larsson
      • [gmx-users] protein structure prediction   José Carlos Calvo Tudela
    • [gmx-users] protein structure prediction   José Carlos Calvo Tudela
• [gmx-users] MD parameters for DPPC bilayer   Nikit sharan
  • [gmx-users] MD parameters for DPPC bilayer   Justin A. Lemkul
• [gmx-users] structure factor   Alexander Malafeev
• [gmx-users] About position restraint specification   Lee Soin
  • [gmx-users] About position restraint specification   Justin A. Lemkul
    • [gmx-users] About position restraint specification   Lee Soin
      • [gmx-users] About position restraint specification   Justin A. Lemkul
• [gmx-users] gromac running in ubantu 8.10   akalabya bissoyi
  • [gmx-users] gromac running in ubantu 8.10   Justin A. Lemkul
• [gmx-users] Turning off electrostatic or Van der Waals interactions   Lee Soin
  • [gmx-users] Turning off electrostatic or Van der Waals interactions   Justin A. Lemkul
    • [gmx-users] Turning off electrostatic or Van der Waals interactions   Lee Soin
      • [gmx-users] Turning off electrostatic or Van der Waals interactions   Justin A. Lemkul
      • [gmx-users] Turning off electrostatic or Van der Waals interactions   Omer Markovitch
      • [gmx-users] Turning off electrostatic or Van der Waals interactions   Berk Hess
      • [gmx-users] Turning off electrostatic or Van der Waals interactions   Lee Soin
• [gmx-users] analysis using Gromacs tools   oguz gurbulak
  • [gmx-users] analysis using Gromacs tools   Mark Abraham
• [gmx-users] analysis using Gromacs tools   Adrien Delmont
• [gmx-users] analysis using Gromacs tools   chris.neale at utoronto.ca
• [gmx-users] Re: gmx-users Digest, Vol 58, Issue 125   akalabya bissoyi
  • [gmx-users] Re: gmx-users Digest, Vol 58, Issue 125   Justin A. Lemkul
• [gmx-users] akalabya bissoyi has invited you to open a Google mail account   akalabya bissoyi
• [gmx-users] obtaining gromacs for ubuntu (was Re: gmx-users Digest, Vol 58, Issue 125 (akalabya bissoyi))   chris.neale at utoronto.ca
  • [gmx-users] obtaining gromacs for ubuntu (was Re: gmx-users Digest, Vol 58, Issue 125 (akalabya bissoyi))   Jussi Lehtola
• [gmx-users] energy minimization with 4 nodes   Q. Y. HUAN
  • [gmx-users] energy minimization with 4 nodes   Mark Abraham
• [gmx-users] energy minimization with 4 nodes   Q. Y. HUAN
• [gmx-users] Insertion of polymer into the bilayer   varsha gautham
  • [gmx-users] Insertion of polymer into the bilayer   Mark Abraham
• [gmx-users] energy minimization   Q. Y. HUAN
• [gmx-users] make_hole   varsha gautham
  • [gmx-users] make_hole   Mark Abraham
• [gmx-users] (no subject)   Q. Y. HUAN
• [gmx-users] Placing a peptide above aqueous phase of bilayer   Nikit sharan
• [gmx-users] SO3- force field   Jin Hee
  • [gmx-users] SO3- force field   David van der Spoel
  • [gmx-users] SO3- force field   Lucio Ricardo Montero Valenzuela
    • [gmx-users] SO3- force field   Justin A. Lemkul
• [gmx-users] Interpretation of g_hbond results   Justin A. Lemkul
  • [gmx-users] Interpretation of g_hbond results   Manik Mayur
    • [gmx-users] Interpretation of g_hbond results   Justin A. Lemkul
  • [gmx-users] Interpretation of g_hbond results   David van der Spoel
    • [gmx-users] Interpretation of g_hbond results   Justin A. Lemkul
      • [gmx-users] Interpretation of g_hbond results   David van der Spoel
• [gmx-users] Conversion of trajectories to netcdf format   Tobias Unruh
  • [gmx-users] Conversion of trajectories to netcdf format   Ran Friedman
• [gmx-users] density_SW_model   Sang-Min Park
  • [gmx-users] density_SW_model   David van der Spoel
    • [gmx-users] density_SW_model   Sang-Min Park
      • [gmx-users] density_SW_model   David van der Spoel
      • [gmx-users] density_SW_model   Sang-Min Park
• [gmx-users] pull_pbcatom appears global and could benifit from a sanity check during grompp   chris.neale at utoronto.ca
• [gmx-users] how to compute bending modulus of the membrane with NPs   Li Yang
• [gmx-users] g_sorient -ro output   Laercio Pol Fachin
• [gmx-users] OPLS-AA topologies for ATP/ADP.   Lucio Ricardo Montero Valenzuela
  • [gmx-users] OPLS-AA topologies for ATP/ADP.   Justin A. Lemkul
    • [gmx-users] OPLS-AA topologies for ATP/ADP.   Lucio Montero
  • [gmx-users] OPLS-AA topologies for ATP/ADP.   Bruce D. Ray
    • [gmx-users] OPLS-AA topologies for ATP/ADP.   TJ Piggot
      • [gmx-users] OPLS-AA topologies for ATP/ADP.   TJ Piggot
• [gmx-users] g_density for a centain slice   li jianguo
• [gmx-users] IBUPROFEN   Q. Y. HUAN
  • [gmx-users] IBUPROFEN   Justin A. Lemkul
• [gmx-users] mdrun error   supti mukherjee
  • [gmx-users] mdrun error   Mark Abraham
• [gmx-users] how to convert the *.cube file to a (x, y, z) format file   Jinyao Wang
• [gmx-users] ffG43a1bon.itp: how to add new bond type in ffG43a1bon.itp   anoop dimri
  • [gmx-users] ffG43a1bon.itp: how to add new bond type in ffG43a1bon.itp   Mark Abraham
• [gmx-users] Last frame number in trj   DimitryASuplatov
  • [gmx-users] Last frame number in trj   Berk Hess
    • [gmx-users] Table potential example   ROHIT MALSHE
      • [gmx-users] Table potential example   David van der Spoel
• [gmx-users] Bug with system total charge?   DimitryASuplatov
• [gmx-users] RE:Bug with system total charge?   DimitryASuplatov
• [gmx-users] g_rdf for 2D problem   Xinghua Shi
• [gmx-users] Atom H2 not found in rtp   varsha gautham
  • [gmx-users] Atom H2 not found in rtp   Tsjerk Wassenaar
• [gmx-users] energy file   jayant james
  • [gmx-users] energy file   Mark Abraham
    • [gmx-users] energy file   jayant james
      • [gmx-users] energy file   Justin A. Lemkul
• [gmx-users] Please give me advises for the computing system.   Seungpyo Hong
  • [gmx-users] Please give me advises for the computing system.   Mark Abraham
• [gmx-users] Re: how to convert the *.cube file to a (x, y, z) format file   sobereva
• [gmx-users] problem in running gromacs demo   nitu sharma
  • [gmx-users] problem in running gromacs demo   Mark Abraham
• [gmx-users] problem in creating topol.tpr file   nitu sharma
  • [gmx-users] problem in creating topol.tpr file   Justin A. Lemkul
    • [gmx-users] problem in creating topol.tpr file   Tsjerk Wassenaar
• [gmx-users] PLUMED release 1.0.0 available   Massimiliano Bonomi
• [gmx-users] ffgmx43a1 for use with lipids   Sumamohan S
  • [gmx-users] ffgmx43a1 for use with lipids   Mark Abraham
    • [gmx-users] ffgmx43a1 for use with lipids   Sumamohan S
      • [gmx-users] ffgmx43a1 for use with lipids   Mark Abraham
• [gmx-users] Re:Re: how to convert the *.cube file to a (x, y, z) format file   Jinyao Wang
• [gmx-users] trjconv fit subset of atoms   Joshua Adelman
  • [gmx-users] trjconv fit subset of atoms   Berk Hess
    • [gmx-users] trjconv fit subset of atoms   Joshua Adelman
      • [gmx-users] trjconv fit subset of atoms   Tsjerk Wassenaar
      • [gmx-users] trjconv fit subset of atoms   Joshua Adelman
  • [gmx-users] trjconv fit subset of atoms   Tsjerk Wassenaar
• [gmx-users] Re:Re: how to convert the *.cube file to a (x, y, z) format file   sobereva
• [gmx-users] buffer reading error with grompp   Nicolas
• [gmx-users] Simulated annealing   jayant james
  • [gmx-users] Simulated annealing   Justin A. Lemkul
• [gmx-users] g_vellac in the last versions   Vitaly Chaban
• [gmx-users] install Gromacs 4.0.4 on Linux Fedora 8   oguz gurbulak
  • [gmx-users] install Gromacs 4.0.4 on Linux Fedora 8   Justin A. Lemkul
• [gmx-users] install Gromacs 4.0.4 on Linux Fedora 8   oguz gurbulak
• [gmx-users] Re: install Gromacs 4.0.4 on Linux Fedora 8   oguz gurbulak
• [gmx-users] Re: install Gromacs 4.0.4 on Linux Fedora 8   Vitaly V. Chaban
• [gmx-users] Re: install Gromacs 4.0.4 on Linux Fedora 8   oguz gurbulak
  • [gmx-users] Re: install Gromacs 4.0.4 on Linux Fedora 8   Vitaly V. Chaban
• [gmx-users] Postdoctoral position available   Shirts, Michael (mrs5pt)
• [gmx-users] Unit conversion   jitrayut jitonnom
  • [gmx-users] Unit conversion   Mark Abraham
• [gmx-users] Segmentation fault in g_traj with -mol opion   Steve Fiedler
• [gmx-users] visualizing trajectories real-time   Jack Shultz
• [gmx-users] vanishing trr file   Homa Azizian
  • [gmx-users] vanishing trr file   Mark Abraham
• [gmx-users] n-alkanes simulations in Gromacs   Molecular Dynamics
  • [gmx-users] n-alkanes simulations in Gromacs   Mark Abraham
• [gmx-users] Cannot obtain the expected pressure using the Parrinello-Rahman coupling in a gas-liquid system   GuoGuangjun
  • [gmx-users] Cannot obtain the expected pressure using the Parrinello-Rahman coupling in a gas-liquid system   Justin A. Lemkul
• [gmx-users] Cannot obtain the expected pressure using the Parrinello-Rahman coupling in a gas-liquid system   Justin A. Lemkul
  • [gmx-users] Cannot obtain the expected pressure using the Parrinello-Rahman coupling in a gas-liquid system   GuoGuangjun
    • [gmx-users] Cannot obtain the expected pressure using the Parrinello-Rahman coupling in a gas-liquid system   Berk Hess
      • [gmx-users] Cannot obtain the expected pressure using the Parrinello-Rahman coupling in a gas-liquid system   GuoGuangjun
      • [gmx-users] Cannot obtain the expected pressure using the Parrinello-Rahman coupling in a gas-liquid system   David van der Spoel
• [gmx-users] Cannot obtain the expected pressure using the Parrinello-Rahman coupling in a gas-liquid system   Justin A. Lemkul
• [gmx-users] atomtype OWT4 not found but OWT3 and OWT5 is ok in amber03 force field....how is that possible?   drugdesign

Last message date: Sat Feb 28 19:53:10 CET 2009
Archived on: Thu Nov 14 12:06:14 CET 2013

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