September 2009 Archives by thread

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Starting: Tue Sep 1 04:11:54 CEST 2009
Ending: Wed Sep 30 23:28:28 CEST 2009
Messages: 837

• [gmx-users] error in Deuterium order analysis   Samik Bhattacharya
• [gmx-users] Segmentation fault   秦光荣
  • [gmx-users] Re: Segmentation fault   秦光荣
    • [gmx-users] Re: Segmentation fault   Mark Abraham
• [gmx-users] Force constant for umbrella sampling potential   mircial at sjtu.edu.cn
  • [gmx-users] Force constant for umbrella sampling potential   Berk Hess
• [gmx-users] PMF using umbrella sampling   Berk Hess
  • [gmx-users] PMF using umbrella sampling   Bob Johnson
    • [gmx-users] PMF using umbrella sampling   Berk Hess
• [gmx-users] periodic moleules   Andrei Neamtu
  • [gmx-users] periodic moleules   Mark Abraham
  • [gmx-users] periodic moleules   Berk Hess
• [gmx-users] Binary mixture   Abhishek Banerjee
  • [gmx-users] Re: Binary mixture   Justin A. Lemkul
• [gmx-users] Re: Binary mixture   Vitaly V. Chaban
• [gmx-users] puzzled about hydration free energy of Toluene   Jinyao Wang
  • [gmx-users] puzzled about hydration free energy of Toluene   Mark Abraham
• [gmx-users] Re: Binary mixture   Justin A. Lemkul
• [gmx-users] Re: Binary mixture   Vitaly V. Chaban
• [gmx-users] Re: Binary mixture   Vitaly V. Chaban
• [gmx-users] How to generate generic data files for g_wham   Ragnarok sdf
  • [gmx-users] How to generate generic data files for g_wham   Justin A. Lemkul
• [gmx-users] Thermostats in a NEMD   Manik Mayur
• [gmx-users] Ensuring of periodicity in bilayer simulation   Hideya Nakamura
  • [gmx-users] Ensuring of periodicity in bilayer simulation   Mark Abraham
    • [gmx-users] Ensuring of periodicity in bilayer simulation   Hideya Nakamura
      • [gmx-users] Ensuring of periodicity in bilayer simulation   Justin A. Lemkul
• [gmx-users] mdrun running without simulating new steps   st
  • [gmx-users] mdrun running without simulating new steps   Justin A. Lemkul
    • [gmx-users] mdrun running without simulating new steps   yan gao
    • [gmx-users] mdrun running without simulating new steps   st
      • [gmx-users] mdrun running without simulating new steps   Justin A. Lemkul
• [gmx-users] Determining surface charge of a molecule   Lili Peng
  • [gmx-users] Determining surface charge of a molecule   Mark Abraham
    • [gmx-users] Determining surface charge of a molecule   Lili Peng
      • [gmx-users] Determining surface charge of a molecule   Mark Abraham
• [gmx-users] parameters for salicylate   maria goranovic
• [gmx-users] MPI on Windows   George Tsigaridas
  • [gmx-users] MPI on Windows   Mark Abraham
    • [gmx-users] MPI on Windows   George Tsigaridas
      • [gmx-users] MPI on Windows   Justin A. Lemkul
• [gmx-users] t_trxframe speed units   aherz
  • [gmx-users] t_trxframe speed units   Berk Hess
    • [gmx-users] t_trxframe speed units   aherz
      • [gmx-users] t_trxframe speed units   Berk Hess
      • [gmx-users] t_trxframe speed units   aherz
      • [gmx-users] t_trxframe speed units   Berk Hess
      • [gmx-users] t_trxframe speed units   aherz
      • [gmx-users] t_trxframe speed units   Berk Hess
      • [gmx-users] t_trxframe speed units   aherz
      • [gmx-users] t_trxframe speed units   Berk Hess
      • [gmx-users] t_trxframe speed units   aherz
      • [gmx-users] t_trxframe speed units   Berk Hess
      • [gmx-users] t_trxframe speed units   aherz
      • [gmx-users] t_trxframe speed units   Berk Hess
      • [gmx-users] t_trxframe speed units   aherz
      • [gmx-users] t_trxframe speed units   Berk Hess
      • [gmx-users] t_trxframe speed units   Berk Hess
      • [gmx-users] t_trxframe speed units   aherz
      • [gmx-users] t_trxframe speed units   Berk Hess
      • [gmx-users] t_trxframe speed units   aherz
      • [gmx-users] t_trxframe speed units   Berk Hess
      • [gmx-users] t_trxframe speed units   aherz
      • [gmx-users] non isotropic kinetic energy   aherz
      • [gmx-users] non isotropic kinetic energy   David van der Spoel
      • [gmx-users] non isotropic kinetic energy   aherz
      • [gmx-users] non isotropic kinetic energy   Berk Hess
      • [gmx-users] non isotropic kinetic energy   aherz
      • [gmx-users] non isotropic kinetic energy   Berk Hess
      • [gmx-users] non isotropic kinetic energy   aherz
      • [gmx-users] non isotropic kinetic energy   Berk Hess
      • [gmx-users] non isotropic kinetic energy   herz
      • [gmx-users] non isotropic kinetic energy   David van der Spoel
      • [gmx-users] non isotropic kinetic energy   herz
      • [gmx-users] non isotropic kinetic energy   David van der Spoel
      • [gmx-users] non isotropic kinetic energy   herz
      • [gmx-users] non isotropic kinetic energy   David van der Spoel
      • [gmx-users] non isotropic kinetic energy   Berk Hess
      • [gmx-users] non isotropic kinetic energy   herz
      • [gmx-users] non isotropic kinetic energy   Berk Hess
      • [gmx-users] non isotropic kinetic energy   herz
      • [gmx-users] non isotropic kinetic energy   Berk Hess
      • [gmx-users] direction_periodic   aherz
      • [gmx-users] direction_periodic   Berk Hess
      • [gmx-users] direction_periodic   aherz
      • [gmx-users] direction_periodic   Berk Hess
      • [gmx-users] direction_periodic   aherz
      • [gmx-users] direction_periodic   Berk Hess
      • [gmx-users] direction_periodic   aherz
      • [gmx-users] direction_periodic   Berk Hess
      • [gmx-users] direction_periodic   aherz
      • [gmx-users] direction_periodic   Berk Hess
• [gmx-users] Re: MPI on Windows   Vitaly V. Chaban
  • [gmx-users] Re: MPI on Windows   George Tsigaridas
• [gmx-users] Martini simulation problem in recentering trajectory so that the bilayer is at the center   maria goranovic
  • [gmx-users] Martini simulation problem in recentering trajectory so that the bilayer is at the center   Justin A. Lemkul
  • [gmx-users] Martini simulation problem in recentering trajectory so that the bilayer is at the center   XAvier Periole
    • [gmx-users] Martini simulation problem in recentering trajectory so that the bilayer is at the center   maria goranovic
    • [gmx-users] Martini simulation problem in recentering trajectory so that the bilayer is at the center   Berk Hess
      • [gmx-users] Martini simulation problem in recentering trajectory so that the bilayer is at the center   maria goranovic
      • [gmx-users] Martini simulation problem in recentering trajectory so that the bilayer is at the center   XAvier Periole
      • [gmx-users] Martini simulation problem in recentering trajectory so that the bilayer is at the center   maria goranovic
      • [gmx-users] Martini simulation problem in recentering trajectory so that the bilayer is at the center   Berk Hess
      • [gmx-users] Martini simulation problem in recentering trajectory so that the bilayer is at the center   maria goranovic
      • [gmx-users] Martini simulation problem in recentering trajectory so that the bilayer is at the center   Berk Hess
      • [gmx-users] Martini simulation problem in recentering trajectory so that the bilayer is at the center   maria goranovic
      • [gmx-users] Martini simulation problem in recentering trajectory so that the bilayer is at the center   Berk Hess
• [gmx-users] Gromacs 4.0.4 - Pull.pdo File   V Hariharan
  • [gmx-users] Gromacs 4.0.4 - Pull.pdo File   Berk Hess
  • [gmx-users] Gromacs 4.0.4 - Pull.pdo File   aherz
    • [gmx-users] Gromacs 4.0.4 - Pull.pdo File   V Hariharan
      • [gmx-users] Gromacs 4.0.4 - Pull.pdo File   Berk Hess
• [gmx-users] Questions about g_sham options   Suman Chakrabarty
  • [gmx-users] Questions about g_sham options   David van der Spoel
    • [gmx-users] Questions about g_sham options   Suman Chakrabarty
      • [gmx-users] Questions about g_sham options   David van der Spoel
• [gmx-users] Installation of 4.0.5 on Cray XD1- gmxtest   Dean Cuebas
  • [gmx-users] Installation of 4.0.5 on Cray XD1- gmxtest   Mark Abraham
• [gmx-users] problem with nanotubes and vitamin simulation   Naga Rajesh Tummala
• [gmx-users] angle dependent rdf   Suman Chakrabarty
• [gmx-users] Scaling problems in 8-cores nodes with GROMACS 4.0x   Daniel Adriano Silva M
  • [gmx-users] Scaling problems in 8-cores nodes with GROMACS 4.0x   Mark Abraham
  • [gmx-users] Scaling problems in 8-cores nodes with GROMACS 4.0x   Berk Hess
  • [gmx-users] Scaling problems in 8-cores nodes with GROMACS 4.0x   Erik Lindahl
• [gmx-users] ERROR: invalid enum 'xy' for variable pbc, using 'xyz'   Darrell Koskinen
  • [gmx-users] ERROR: invalid enum 'xy' for variable pbc, using 'xyz'   Mark Abraham
• [gmx-users] msd   Yelash, Dr. Leonid
  • [gmx-users] msd   Berk Hess
    • [gmx-users] msd   Dr. Leonid Yelash
• [gmx-users] GROMACS in Windows Command Prompt   George Tsigaridas
  • [gmx-users] GROMACS in Windows Command Prompt   Mark Abraham
    • [gmx-users] GROMACS in Windows Command Prompt   George Tsigaridas
• [gmx-users] g77 error in martini   sunny mishra
  • [gmx-users] g77 error in martini   Justin A. Lemkul
• [gmx-users] Problems with GROMAC/CPMD   jorge_quintero at ciencias.uis.edu.co
• [gmx-users] Problem with NPT equilibration   Bing Bing
  • [gmx-users] Problem with NPT equilibration   Mark Abraham
• [gmx-users] Can 3.3.3 and 4.0.5 version exist at the same time?   Chih-Ying Lin
  • [gmx-users] Can 3.3.3 and 4.0.5 version exist at the same time?   Mark Abraham
• [gmx-users] Bad water sampling ? => A charge group moved too far between two domain decomposition steps ???   Chih-Ying Lin
  • [gmx-users] Bad water sampling ? => A charge group moved too far between two domain decomposition steps ???   Mark Abraham
• [gmx-users] Minimisation - particle decomposition   Chih-Ying Lin
  • [gmx-users] Minimisation - particle decomposition   Mark Abraham
• [gmx-users] The same lysozyme.pdb file under 3.3.3 and 4.0.5 version   Chih-Ying Lin
  • [gmx-users] The same lysozyme.pdb file under 3.3.3 and 4.0.5 version   Mark Abraham
• [gmx-users] analysis of membrane protein   Samik Bhattacharya
  • [gmx-users] analysis of membrane protein   Justin A. Lemkul
• [gmx-users] question about PME   Alexey Odinokov
  • [gmx-users] question about PME   Berk Hess
• [gmx-users] Re: RE: question about PME   Alexey Odinokov
  • [gmx-users] Re: RE: question about PME   Berk Hess
• [gmx-users] adding multi-residue molecules in solution   milad ekramnia
  • [gmx-users] adding multi-residue molecules in solution   Justin A. Lemkul
  • [gmx-users] adding multi-residue molecules in solution   Mark Abraham
• [gmx-users] hi questions about installing GROMACS   Amit Choubey
  • [gmx-users] hi questions about installing GROMACS   Justin A. Lemkul
• [gmx-users] fatal error: 1 particles communicated to PME node 1 are more than a cell length out of the do main decomposition cell of their charge group   Nilesh Dhumal
  • [gmx-users] fatal error: 1 particles communicated to PME node 1 are more than a cell length out of the do main decomposition cell of their charge group   Justin A. Lemkul
    • [gmx-users] fatal error: 1 particles communicated to PME node 1 are more than a cell length out of the do main decomposition cell of their charge group   Nilesh Dhumal
      • [gmx-users] fatal error: 1 particles communicated to PME node 1 are more than a cell length out of the do main decomposition cell of their charge group   Justin A. Lemkul
• [gmx-users] Re: hi questions about installing GROMACS   Vitaly V. Chaban
  • [gmx-users] Re: hi questions about installing GROMACS   Amit Choubey
• [gmx-users] Re: wierd behavior of mdrun   Paymon Pirzadeh
  • [gmx-users] Re: wierd behavior of mdrun   Justin A. Lemkul
    • {Spam?} Re: [gmx-users] Re: wierd behavior of mdrun   Payman Pirzadeh
    • {Spam?} Re: [gmx-users] Re: wierd behavior of mdrun   Paymon Pirzadeh
      • {Spam?} Re: [gmx-users] Re: wierd behavior of mdrun   Justin A. Lemkul
  • [gmx-users] Re: wierd behavior of mdrun   Mark Abraham
• [gmx-users] PMF and pull with membrane helix   Ragnarok sdf
  • [gmx-users] PMF and pull with membrane helix   XAvier Periole
• [gmx-users] grompp error in peptide-membrane simulations   afsaneh maleki
  • [gmx-users] grompp error in peptide-membrane simulations   Justin A. Lemkul
• [gmx-users] Re: DMF topology file   Vitaly V. Chaban
• [gmx-users] Re: PMF and pull with membrane helix   Ragnarok sdf
  • [gmx-users] Re: PMF and pull with membrane helix   XAvier Periole
• [gmx-users] Windows installation   Bill Maier
  • [gmx-users] Windows installation   Justin A. Lemkul
    • [gmx-users] Windows installation   Bill Maier
• [gmx-users] Query regarding Phosphate parameters   nikhil damle
• [gmx-users] protein-dna interaction   shahab shariati
  • [gmx-users] protein-dna interaction   Mark Abraham
• [gmx-users] using SETTLE for constraints   Dmitri Dubov
  • [gmx-users] using SETTLE for constraints   Mark Abraham
    • [gmx-users] using SETTLE for constraints   Berk Hess
      • [gmx-users] using SETTLE for constraints   Dmitri Dubov
• [gmx-users] Query regarding phosphothreonine parameters   nikhil damle
  • [gmx-users] Query regarding phosphothreonine parameters   Justin A. Lemkul
    • [gmx-users] Query regarding phosphothreonine parameters   nikhil damle
      • [gmx-users] Query regarding phosphothreonine parameters   Justin A. Lemkul
• [gmx-users] Topologies for ffamber99 and ions for ffamber99   tanos at ime.eb.br
  • [gmx-users] Topologies for ffamber99 and ions for ffamber99   Justin A. Lemkul
• [gmx-users] ligand energy calculation PME simulation   Antonio Coluccia
  • [gmx-users] ligand energy calculation PME simulation   Mark Abraham
    • [gmx-users] ligand energy calculation PME simulation   Berk Hess
      • [gmx-users] long range restrain   Mu Yuguang (Dr)
• [gmx-users] Installing gromacs on Windows Vista   Bill Maier
• [gmx-users] printing to edr in source code   Inon Sharony
• [gmx-users] Making itp files   mail-vtanchuk
  • [gmx-users] Making itp files   Justin A. Lemkul
• [gmx-users] weird mdrun...using gromacs 3.3.3   Naga Rajesh Tummala
  • [gmx-users] weird mdrun...using gromacs 3.3.3   Mark Abraham
    • [gmx-users] weird mdrun...using gromacs 3.3.3   Naga Rajesh Tummala
      • [gmx-users] weird mdrun...using gromacs 3.3.3   Mark Abraham
      • [gmx-users] weird mdrun...using gromacs 3.3.3   Naga Rajesh Tummala
      • [gmx-users] weird mdrun...using gromacs 3.3.3   Justin A. Lemkul
      • [gmx-users] weird mdrun...using gromacs 3.3.3   Naga Rajesh Tummala
      • [gmx-users] weird mdrun...using gromacs 3.3.3   Justin A. Lemkul
      • [gmx-users] weird mdrun...using gromacs 3.3.3   Naga Rajesh Tummala
      • [gmx-users] weird mdrun...using gromacs 3.3.3   Justin A. Lemkul
      • [gmx-users] weird mdrun...using gromacs 3.3.3   Naga Rajesh Tummala
• [gmx-users] template.c   Chih-Ying Lin
  • [gmx-users] template.c   Mark Abraham
• [gmx-users] Using gromacs 4.0.5 built with FORTIFY_SOURCE feature   Yasuyuki Araki
  • [gmx-users] Using gromacs 4.0.5 built with FORTIFY_SOURCE feature   Mark Abraham
    • [gmx-users] Using gromacs 4.0.5 built with FORTIFY_SOURCE feature   Yasuyuki Araki
  • [gmx-users] Using gromacs 4.0.5 built with FORTIFY_SOURCE feature   Jussi Lehtola
    • [gmx-users] Using gromacs 4.0.5 built with FORTIFY_SOURCE feature   Yasuyuki Araki
• [gmx-users] potential energy NaN and strange dependence on cut-offs   Jennifer Williams
  • [gmx-users] potential energy NaN and strange dependence on cut-offs   Mark Abraham
    • [gmx-users] potential energy NaN and strange dependence on cut-offs   Manik Mayur
      • [gmx-users] potential energy NaN and strange dependence on cut-offs   David van der Spoel
• [gmx-users] (Без темы)   Andrew Voronkov
  • [gmx-users] (??? ????)   Mark Abraham
• [gmx-users] how to use a new force field   Amit Choubey
  • [gmx-users] how to use a new force field   Justin A. Lemkul
    • [gmx-users] how to use a new force field   Amit Choubey
      • [gmx-users] how to use a new force field   Dallas B. Warren
      • [gmx-users] how to use a new force field   Amit Choubey
      • [gmx-users] how to use a new force field   Tsjerk Wassenaar
      • [gmx-users] how to use a new force field   Justin A. Lemkul
      • [gmx-users] how to use a new force field   Amit Choubey
      • [gmx-users] how to use a new force field   Amit Choubey
      • [gmx-users] how to use a new force field   Justin A. Lemkul
• [gmx-users] do_dssp question   Kirill Bessonov
  • [gmx-users] do_dssp question   Justin A. Lemkul
• [gmx-users] selecting two groups for average structure   David Crosby
  • [gmx-users] selecting two groups for average structure   Justin A. Lemkul
• [gmx-users] Error estimation from FEP   Ragnarok sdf
  • [gmx-users] Error estimation from FEP   Ragnarok sdf
• [gmx-users] 1-4 interaction warning   David Wright
  • [gmx-users] 1-4 interaction warning   Mark Abraham
• [gmx-users] Keeping PBC during minimization   Francesco Rao
  • [gmx-users] Keeping PBC during minimization   Justin A. Lemkul
• [gmx-users] Question about the Marrink's CG model   Li Yang
  • [gmx-users] Question about the Marrink's CG model   XAvier Periole
• [gmx-users] Errors in constraint pulling   Hideya Nakamura
  • [gmx-users] Errors in constraint pulling   Berk Hess
    • [gmx-users] Errors in constraint pulling   Hideya Nakamura
• [gmx-users] bypassing pdb2gmx   Amit Choubey
  • [gmx-users] Re: bypassing pdb2gmx   Amit Choubey
    • [gmx-users] Re: bypassing pdb2gmx   Justin A. Lemkul
      • [gmx-users] Re: bypassing pdb2gmx   Amit Choubey
  • [gmx-users] bypassing pdb2gmx   Justin A. Lemkul
  • [gmx-users] bypassing pdb2gmx   吴鹏
  • [gmx-users] bypassing pdb2gmx   Mark Abraham
  • [gmx-users] bypassing pdb2gmx   Manik Mayur
  • [gmx-users] bypassing pdb2gmx   Berk Hess
  • [gmx-users] bypassing pdb2gmx   Tsjerk Wassenaar
• [gmx-users] error:g_hbond   swatik at ncbs.res.in
• [gmx-users] DMF topology   Abhishek Banerjee
  • [gmx-users] DMF topology   Justin A. Lemkul
• [gmx-users] Fatal error: The box size in direction X (1.799866) times the triclinic skew factor (1.000000) is too small for a cut-off of 0.900000 with 2 domain decomposition cells, use 1 or more than 2 processors or increase the box size in this direction   Nilesh Dhumal
  • [gmx-users] Fatal error: The box size in direction X (1.799866) times the triclinic skew factor (1.000000) is too small for a cut-off of 0.900000 with 2 domain decomposition cells, use 1 or more than 2 processors or increase the box size in this direction   Justin A. Lemkul
• [gmx-users] large scaling required to acheive optimal mesh load   Jennifer Williams
  • [gmx-users] large scaling required to acheive optimal mesh load   Berk Hess
• [gmx-users] How to edit the cgnr and charge fields of a ITP file with the result of Gaussian?   Liao Chuan
  • [gmx-users] How to edit the cgnr and charge fields of a ITP file with the result of Gaussian?   Justin A. Lemkul
  • [gmx-users] How to edit the cgnr and charge fields of a ITP file with the result of Gaussian?   Mark Abraham
• [gmx-users] (no subject)   rsf
• [gmx-users] EVB and mapping potentials   rsf
• [gmx-users] Add acetyl and amide caps to a peptide with pdb2gmx   Stephane Abel
  • [gmx-users] Add acetyl and amide caps to a peptide with pdb2gmx   Justin A. Lemkul
• [gmx-users] Add a amide and acetylated caps to a peptide with pdb2gmx   Stephane Abel
• [gmx-users] g_wham error   Ragnarok sdf
  • [gmx-users] g_wham error   Justin A. Lemkul
  • [gmx-users] g_wham error   Jochen Hub
• [gmx-users] pdb2gmx question   Amit Choubey
  • [gmx-users] pdb2gmx question   Mark Abraham
• [gmx-users] density and intramolecular interactions   Alexey Odinokov
  • [gmx-users] density and intramolecular interactions   Mark Abraham
• [gmx-users] Re: How to edit the cgnr and charge fields of a ITP, file with the result of Gaussian?   Thomas Schlesier
• [gmx-users] problems running REMD on grids   Anna Marabotti
  • [gmx-users] problems running REMD on grids   XAvier Periole
• [gmx-users] Re: Add acetyl and amide caps to a peptide with pdb2gmx   Stephane Abel
• [gmx-users] Request: Gromacs on HPC podcast   Brock Palen
• [gmx-users] p0_22967: p4_error: interrupt SIGSEGV: 11   Nilesh Dhumal
  • [gmx-users] p0_22967: p4_error: interrupt SIGSEGV: 11   Justin A. Lemkul
• [gmx-users] Re: gmx-users Digest, Vol 65, Issue 65   Ragnarok sdf
  • [gmx-users] g_wham error   Justin A. Lemkul
  • [gmx-users] Re: gmx-users Digest, Vol 65, Issue 65   Nilesh Dhumal
    • [gmx-users] Re: gmx-users Digest, Vol 65, Issue 65   Justin A. Lemkul
• [gmx-users] HA atom not recognised by gromacs   jayalakshmi sridhar
  • [gmx-users] HA atom not recognised by gromacs   Justin A. Lemkul
    • [gmx-users] HA atom not recognised by gromacs   jayalakshmi sridhar
      • [gmx-users] HA atom not recognised by gromacs   Mark Abraham
• [gmx-users] R: problems running REMD on grids   Anna Marabotti
  • [gmx-users] R: problems running REMD on grids   Mark Abraham
    • [gmx-users] R: problems running REMD on grids   Berk Hess
    • [gmx-users] R: problems running REMD on grids   Justin A. Lemkul
• [gmx-users] Problems with metals GROMACS/CPMD   jorge_quintero at ciencias.uis.edu.co
  • [gmx-users] Problems with metals GROMACS/CPMD   Pradip Biswas
• [gmx-users] g_wham error   Ragnarok sdf
  • [gmx-users] g_wham error   Ragnarok sdf
  • [gmx-users] Re: Re: g_wham error   Ragnarok sdf
• [gmx-users] template.c => put the GROMACS headers in the same file ?   Chih-Ying Lin
  • [gmx-users] template.c => put the GROMACS headers in the same file ?   Mark Abraham
  • [gmx-users] template.c => put the GROMACS headers in the same file ?   Justin A. Lemkul
• [gmx-users] Radius of gyration   Johnny Lam
  • [gmx-users] Radius of gyration   Justin A. Lemkul
  • [gmx-users] Radius of gyration   David van der Spoel
• [gmx-users] Invitation to connect on LinkedIn   Manik Mayur
• [gmx-users] Energy mimimization in AcOH box   Aditi Borkar
  • [gmx-users] Energy mimimization in AcOH box   Justin A. Lemkul
    • [gmx-users] Energy mimimization in AcOH box   Aditi Borkar
      • [gmx-users] Energy mimimization in AcOH box   Justin A. Lemkul
• [gmx-users] System has non-zero total charge: 1.999878e+00   zakiya
  • [gmx-users] System has non-zero total charge: 1.999878e+00   Mark Abraham
• [gmx-users] template.c   Chih-Ying Lin
  • [gmx-users] template.c   Justin A. Lemkul
• [gmx-users] System has non-zero total charge: 2.570000e+00   najwa drici
  • [gmx-users] System has non-zero total charge: 2.570000e+00   Justin A. Lemkul
    • [gmx-users] System has non-zero total charge: 2.570000e+00   Itamar Kass
      • [gmx-users] System has non-zero total charge: 2.570000e+00   Justin A. Lemkul
• [gmx-users] help with periodic boundary conditions   Jarol E. Molina
  • [gmx-users] help with periodic boundary conditions   Justin A. Lemkul
• [gmx-users] Re: System has non-zero total charge: 2.570000e+00   Vitaly V. Chaban
  • [gmx-users] Re: System has non-zero total charge: 2.570000e+00   Tsjerk Wassenaar
    • [gmx-users] Re: System has non-zero total charge: 2.570000e+00   Vitaly V. Chaban
• [gmx-users] g-hbond problem   YH
  • [gmx-users] g-hbond problem   Mark Abraham
• [gmx-users] g_hbond Issues   Anil Kumar
  • [gmx-users] g_hbond Issues   Mark Abraham
    • [gmx-users] g_hbond Issues   Anil Kumar
      • [gmx-users] g_hbond Issues   Justin A. Lemkul
• [gmx-users] How to complie gromacs on sgi Altix450?   石子枫
  • [gmx-users] How to complie gromacs on sgi Altix450?   Jan Jakubik
    • [gmx-users] How to complie gromacs on sgi Altix450?   Martin Hoefling
• [gmx-users] gromacs source   刘文
• [gmx-users] Problem with multiple Urea molecule position restraining.   karan syal
  • [gmx-users] Problem with multiple Urea molecule position restraining.   Mark Abraham
• [gmx-users] Re: problems running REMD on grids   Anna Marabotti
  • [gmx-users] Re: problems running REMD on grids   Mark Abraham
• [gmx-users] Gromacs4.x/CPMD interfaces   Latévi Max LAWSON DAKU
• [gmx-users] Re. Re: How to complie gromacs on sgi Altix450? (Martin Hoefling)   石子枫
  • [gmx-users] Re. Re: How to complie gromacs on sgi Altix450? (Martin Hoefling)   Martin Höfling
  • [gmx-users] Re. Re: How to complie gromacs on sgi Altix450? (Martin Hoefling)   Mark Abraham
• [gmx-users] Continuation a run with checkpoint issue   Stephane Abel
  • [gmx-users] Continuation a run with checkpoint issue   Justin A. Lemkul
  • [gmx-users] Continuation a run with checkpoint issue   Berk Hess
• [gmx-users] Mailing list and multiplicity   Peyman Yamin
  • [gmx-users] Mailing list and multiplicity   Mark Abraham
  • [gmx-users] Mailing list and multiplicity   Justin A. Lemkul
• [gmx-users] Limit mdrun runtime   Jack Shultz
  • [gmx-users] Limit mdrun runtime   Justin A. Lemkul
    • [gmx-users] Limit mdrun runtime   Berk Hess
      • [gmx-users] Limit mdrun runtime   Jack Shultz
      • [gmx-users] Limit mdrun runtime   Jack Shultz
• [gmx-users] EVB and mapping potentials   rsf
  • [gmx-users] hydrogen on N (OPLS_241), zero sigma and epsilon   st
    • [gmx-users] hydrogen on N (OPLS_241), zero sigma and epsilon   Justin A. Lemkul
      • [gmx-users] hydrogen on N (OPLS_241), zero sigma and epsilon   st
• [gmx-users] RE: evb and mapping potentials   ggroenh at gwdg.de
  • [gmx-users] RE: evb and mapping potentials   rsf
• [gmx-users] protein not centered in solvent box   jayalakshmi sridhar
  • [gmx-users] protein not centered in solvent box   Mark Abraham
    • [gmx-users] protein not centered in solvent box   jayalakshmi sridhar
      • [gmx-users] protein not centered in solvent box   Justin A. Lemkul
      • [gmx-users] protein not centered in solvent box   Mark Abraham
      • [gmx-users] protein not centered in solvent box   jayalakshmi sridhar
• [gmx-users] Multiple constraints possible?   BAN,YOUNG MIN
  • [gmx-users] Multiple constraints possible?   Mark Abraham
• [gmx-users] negative eigenvalues occured and not "nearly zero"   Mark Abraham
• [gmx-users] the problem about the calculation free energy of the toluene in water   Jinyao Wang
  • [gmx-users] the problem about the calculation free energy of the toluene in water   Justin A. Lemkul
• [gmx-users] simulation box size   Aditi Borkar
  • [gmx-users] simulation box size   Justin A. Lemkul
• [gmx-users] help with gmx C source code   Inon Sharony
  • [gmx-users] help with gmx C source code   Mark Abraham
• [gmx-users] read_eigenvectors not in libgmxana   Jochen Hub
  • [gmx-users] read_eigenvectors not in libgmxana   David van der Spoel
• [gmx-users] Core i7 vs Core2Quad   Antoine FORTUNE
  • [gmx-users] Core i7 vs Core2Quad   Berk Hess
    • [gmx-users] Core i7 vs Core2Quad   Sander Pronk
      • [gmx-users] Core i7 vs Core2Quad   Berk Hess
• [gmx-users] question about using new potential in groamcs   青 叶
  • [gmx-users] question about using new potential in groamcs   Mark Abraham
    • [gmx-users] question about using new potential in groamcs   Berk Hess
• [gmx-users] Re:Re: How to complie gromacs on sgi Altix450?   石子枫
  • [gmx-users] Re:Re: How to complie gromacs on sgi Altix450?   Carsten Kutzner
  • [gmx-users] Re:Re: How to complie gromacs on sgi Altix450?   Mark Abraham
• [gmx-users] G96 bond, angle and dihedral types for unusual covalent linkages   jayalakshmi sridhar
  • [gmx-users] G96 bond, angle and dihedral types for unusual covalent linkages   Dallas B. Warren
• [gmx-users] FEP error estimative   Ragnarok sdf
• [gmx-users] pdb2gmx with amber99 can't find an atom in a DNA duplex   Gunnar Widtfeldt Reginsson
  • [gmx-users] pdb2gmx with amber99 can't find an atom in a DNA duplex   Justin A. Lemkul
    • [gmx-users] pdb2gmx with amber99 can't find an atom in a DNA duplex   Gunnar Widtfeldt Reginsson
• [gmx-users] gromacs simulation   Enamul Haque
  • [gmx-users] gromacs simulation   Justin A. Lemkul
• [gmx-users] Re:Re: Re:Re: How to complie gromacs on sgi Altix450?   石子枫
  • [gmx-users] Re:Re: Re:Re: How to complie gromacs on sgi Altix450?   Justin A. Lemkul
• [gmx-users] mpi version of gromacs   Amit Choubey
  • [gmx-users] mpi version of gromacs   Justin A. Lemkul
    • [gmx-users] mpi version of gromacs   Amit Choubey
• [gmx-users] mpi version of gromacs   Justin A. Lemkul
• [gmx-users] Re: Re:Re: Re:Re: How to complie gromacs on sgi Altix450?   石子枫
  • [gmx-users] Re: Re:Re: Re:Re: How to complie gromacs on sgi Altix450?   Justin A. Lemkul
• [gmx-users] compiling problem   Mu Yuguang (Dr)
  • [gmx-users] compiling problem   Yang Ye
    • [gmx-users] compiling problem   Mark Abraham
    • [gmx-users] compiling problem   Mu Yuguang (Dr)
      • [gmx-users] compiling problem   Yang Ye
• [gmx-users] Large fluctuation of protein temperature with nose hoover thermostat   Stephane Abel
  • [gmx-users] Large fluctuation of protein temperature with nose hoover thermostat   Omer Markovitch
• [gmx-users] some questions about the tabulated interaction functions   wuxiao
  • [gmx-users] some questions about the tabulated interaction functions   Mark Abraham
• [gmx-users] about intermolecular interactions   wuxiao
  • [gmx-users] about intermolecular interactions   Justin A. Lemkul
  • [gmx-users] about intermolecular interactions   Manik Mayur
• [gmx-users] msd not linear and c.o.m removal   Jennifer Williams
• [gmx-users] parallel mdrun   Jarol E. Molina
  • [gmx-users] parallel mdrun   Sander Pronk
  • [gmx-users] parallel mdrun   Justin A. Lemkul
• [gmx-users] Generating initial coordinates and velocities from scratch.   Lum Ngwagia
  • [gmx-users] Generating initial coordinates and velocities from scratch.   Justin A. Lemkul
• [gmx-users] Another problem with DNA   Gunnar Widtfeldt Reginsson
  • [gmx-users] Another problem with DNA   Justin A. Lemkul
  • [gmx-users] Another problem with DNA   Mark Abraham
  • [gmx-users] Re: Another problem with DNA   Gunnar Widtfeldt Reginsson
• [gmx-users] 3 covalent bonds protein- heme   malvezzi at iq.usp.br
• [gmx-users] Unit of RMSD of g_energy -f -f2   Ragnarok sdf
  • [gmx-users] Unit of RMSD of g_energy -f -f2   Mark Abraham
• [gmx-users] Periodic Boundary Conditions & Location of Atoms Near Box Edges   Darrell Koskinen
  • [gmx-users] Periodic Boundary Conditions & Location of Atoms Near Box Edges   Tsjerk Wassenaar
• [gmx-users] [Fwd: free energy calculation]   David van der Spoel
• [gmx-users] Re: 3 covalent bonds protein- heme (malvezzi at iq.usp.br)   Gerrit Groenhof
• [gmx-users] Re: 3 covalent bonds protein- heme   Thomas Schlesier
• [gmx-users] Re: Generating initial coordinates and velocities from scratch   Thomas Schlesier
• [gmx-users] Large fluctuation of protein temperature with nose hoover thermostat   ABEL Stephane 175950
• [gmx-users] Inflategro   ram bio
  • [gmx-users] Inflategro   Justin A. Lemkul
    • [gmx-users] Inflategro   Pramod Akula
• [gmx-users] free energy problem   Elio Cino
  • [gmx-users] free energy problem   Berk Hess
• [gmx-users] GMX 4.0.5 on Altix 3700 BX2: Assembly Optimizations fixed?   Steve Cousins
  • [gmx-users] GMX 4.0.5 on Altix 3700 BX2: Assembly Optimizations fixed?   Carsten Kutzner
• [gmx-users] (no subject)   rsf
  • [gmx-users] generation of kernels   aherz
    • [gmx-users] generation of kernels   aherz
• [gmx-users] GMX 4.0.5 on Altix 3700 BX2: Assembly Optimizations fixed?   Steve Cousins
  • [gmx-users] GMX 4.0.5 on Altix 3700 BX2: Assembly Optimizations fixed?   David van der Spoel
• [gmx-users] ISO-8859-1?Q? fixed=3F?=   Steve Cousins
• [gmx-users] butane-parameters   rversace at ccny.cuny.edu
  • [gmx-users] butane-parameters   Justin A. Lemkul
• [gmx-users] Force output from Distance Constraint on pair of Cations   Joshua D Monk
• [gmx-users] SHAKE and LINCS   Ricardo O. S. Soares
  • [gmx-users] SHAKE and LINCS   Justin A. Lemkul
    • [gmx-users] SHAKE and LINCS   Mark Abraham
• [gmx-users] Re: gmx-users Digest, Vol 65, Issue 104   Ragnarok sdf
• [gmx-users] analyzing gromacs trajectories on VMD   Amit Choubey
  • [gmx-users] analyzing gromacs trajectories on VMD   Justin A. Lemkul
  • [gmx-users] analyzing gromacs trajectories on VMD   TJ Piggot
• [gmx-users] Gromacs using MKL with Intel 11.1 compilers   Steve Cousins
  • [gmx-users] Gromacs using MKL with Intel 11.1 compilers   Mark Abraham
  • [gmx-users] Gromacs using MKL with Intel 11.1 compilers   Vasilii Artyukhov
    • [gmx-users] Gromacs using MKL with Intel 11.1 compilers   Berk Hess
• [gmx-users] merging simulation boxes   Paymon Pirzadeh
  • [gmx-users] merging simulation boxes   Mark Abraham
    • [gmx-users] merging simulation boxes   Paymon Pirzadeh
      • [gmx-users] merging simulation boxes   Mark Abraham
      • [gmx-users] merging simulation boxes   Justin A. Lemkul
      • [gmx-users] a naive question on restraints and constraints   Payman Pirzadeh
      • [gmx-users] Re: a naive question on restraints and constraints   Justin A. Lemkul
      • [gmx-users] Re: a naive question on restraints and constraints   Tsjerk Wassenaar
• SV: SV: SV: [gmx-users] g_order version 4.0.x   Justin A. Lemkul
• [gmx-users] question about chain identifier   Amit Choubey
  • [gmx-users] question about chain identifier   Berk Hess
• [gmx-users] Can Gromacs produce the data from NMR?   Chih-Ying Lin
  • [gmx-users] Can Gromacs produce the data from NMR?   Mark Abraham
    • [gmx-users] Can Gromacs produce the data from NMR?   Berk Hess
      • [gmx-users] Can Gromacs produce the data from NMR?   Tsjerk Wassenaar
• [gmx-users] editconf and g_rmsdist   Enemark Soeren
  • [gmx-users] editconf and g_rmsdist   Tsjerk Wassenaar
    • [gmx-users] editconf and g_rmsdist   Enemark Soeren
• [gmx-users] Re: problems running REMD on grids   Anna Marabotti
  • [gmx-users] Re: problems running REMD on grids   Mark Abraham
• [gmx-users] Gromacs using MKL with Intel 11.1 compilers   Steve Cousins
• [gmx-users] potential energy   rams rams
  • [gmx-users] potential energy   Justin A. Lemkul
  • [gmx-users] potential energy   Mark Abraham
• [gmx-users] Free energy problem   Elio Cino
• [gmx-users] autocorrelation function using g_analyze   Sung Hyun Park
  • [gmx-users] autocorrelation function using g_analyze   Mark Abraham
• [gmx-users] xyz2pdb Fortran File   Christopher Rowan
• [gmx-users] pdb2gmx bug?   Gard Nelson
  • [gmx-users] pdb2gmx bug?   Mark Abraham
• [gmx-users] g_msd ?   Chih-Ying Lin
  • [gmx-users] g_msd ?   Justin A. Lemkul
• [gmx-users] dssp programm   subarna thakur
  • [gmx-users] dssp programm   Justin A. Lemkul
• [gmx-users] PMF of helix dimer   Ragnarok sdf
• [gmx-users] Problems with DNA simulation   Gunnar Widtfeldt Reginsson
  • [gmx-users] Problems with DNA simulation   Justin A. Lemkul
    • [gmx-users] Problems with DNA simulation   Gunnar Widtfeldt Reginsson
• [gmx-users] No default Angle types   Darrell Koskinen
  • [gmx-users] No default Angle types   Mark Abraham
• [gmx-users] spacing distance in tabulated angle interaction function   wuxiao
  • [gmx-users] spacing distance in tabulated angle interaction function   Mark Abraham
• [gmx-users] Gromacs site down?   Latévi Max LAWSON DAKU
  • [gmx-users] Gromacs site down?   David van der Spoel
    • [gmx-users] Gromacs site down?   Latévi Max LAWSON DAKU
• [gmx-users] Importing a trajectory   Latévi Max LAWSON DAKU
  • [gmx-users] Importing a trajectory   Latévi Max LAWSON DAKU
• [gmx-users] Re: autocorrelation function using g_analyze   Sung Hyun Park
  • [gmx-users] Re: autocorrelation function using g_analyze   Justin A. Lemkul
    • [gmx-users] Re: autocorrelation function using g_analyze   Mark Abraham
• [gmx-users] molecule index   Jamie Seyed
  • [gmx-users] molecule index   Mark Abraham
    • [gmx-users] molecule index   Jamie Seyed
      • [gmx-users] molecule index   Mark Abraham
      • [gmx-users] molecule index   Jamie Seyed
      • [gmx-users] molecule index   Justin A. Lemkul
      • [gmx-users] molecule index   Jamie Seyed
      • [gmx-users] molecule index   Justin A. Lemkul
      • [gmx-users] question about the implicit walls   Baofu Qiao
      • [gmx-users] question about the implicit walls   Berk Hess
      • [gmx-users] question about the implicit walls   Baofu Qiao
      • [gmx-users] question about the implicit walls   Berk Hess
• [gmx-users] who can help me with the force-field?   xiao shijun
  • [gmx-users] who can help me with the force-field?   Mark Abraham
• [gmx-users] Missing Residues   sunny mishra
  • [gmx-users] Missing Residues   Justin A. Lemkul
• [gmx-users] Problem with grompp , ffamber99 and ions   Gunnar Widtfeldt Reginsson
  • [gmx-users] Problem with grompp , ffamber99 and ions   Mark Abraham
  • [gmx-users] Problem with grompp , ffamber99 and ions   Justin A. Lemkul
    • [gmx-users] Problem with grompp , ffamber99 and ions   Gunnar Widtfeldt Reginsson
• [gmx-users] umbrella potential   Stefan Hoorman
  • [gmx-users] umbrella potential   Justin A. Lemkul
    • [gmx-users] umbrella potential   Berk Hess
• [gmx-users] Re: umbrella potential   Stefan Hoorman
  • [gmx-users] Re: umbrella potential   Justin A. Lemkul
• [gmx-users] using 'genbox' for adding solvent   Amit Choubey
  • [gmx-users] using 'genbox' for adding solvent   Justin A. Lemkul
    • [gmx-users] using 'genbox' for adding solvent   Amit Choubey
      • [gmx-users] using 'genbox' for adding solvent   Justin A. Lemkul
      • [gmx-users] using 'genbox' for adding solvent   Amit Choubey
• [gmx-users] Re: Re: umbrella potential   Stefan Hoorman
  • [gmx-users] Re: Re: umbrella potential   Justin A. Lemkul
• [gmx-users] errors due to genbox   wuxiao
  • [gmx-users] errors due to genbox   Mark Abraham
• [gmx-users] Re: who can help me with the force-field?   xiao shijun
• [gmx-users] Re: who can help me with the force-field?   Mark Abraham
• [gmx-users] Re: errors due to genbox (Mark Abraham)   wuxiao
• [gmx-users] 1-4 interaction between atoms in PBC mode   Darrell Koskinen
  • [gmx-users] 1-4 interaction between atoms in PBC mode   Mark Abraham
  • [gmx-users] 1-4 interaction between atoms in PBC mode   Omer Markovitch
• [gmx-users] Re: Re: problems running REMD on grids   Anna Marabotti
  • [gmx-users] Re: Re: problems running REMD on grids   Berk Hess
• [gmx-users] UREA + Protein Simulation error.   karan syal
  • [gmx-users] UREA + Protein Simulation error.   Justin A. Lemkul
    • [gmx-users] UREA + Protein Simulation error.   karan syal
      • [gmx-users] UREA + Protein Simulation error.   Justin A. Lemkul
      • [gmx-users] UREA + Protein Simulation error.   David van der Spoel
      • [gmx-users] UREA + Protein Simulation error.   karan syal
• [gmx-users] scalar correlation matrix   sheerychen
  • [gmx-users] scalar correlation matrix   Ran Friedman
• [gmx-users] problems trying to run gmx with the size of $PATH   Alan
  • [gmx-users] problems trying to run gmx with the size of $PATH   Berk Hess
• [gmx-users] Re: Re: Re: umbrella potential   Stefan Hoorman
  • [gmx-users] Re: Re: Re: umbrella potential   Justin A. Lemkul
• [gmx-users] RE: problems trying to run gmx with the size of $PATH   Alan
• [gmx-users] Re: Re: Re: autocorrelation function using g_analyze   Sung Hyun Park
• [gmx-users] Re: Re: Re: Re: umbrella potential   Stefan Hoorman
  • [gmx-users] Re: Re: Re: Re: umbrella potential   Justin A. Lemkul
• [gmx-users] Re: Re: Re: autocorrelation function using g_analyze   Sung Hyun Park
• [gmx-users] gromacs on podcast   Brock Palen
  • [gmx-users] gromacs on podcast   David van der Spoel
    • [gmx-users] gromacs on podcast   Brock Palen
• [gmx-users] Re: Re: Re: Re: Re: umbrella potential   Stefan Hoorman
  • [gmx-users] Re: Re: Re: Re: Re: umbrella potential   Justin A. Lemkul
• [gmx-users] gr   daniel luis
• [gmx-users] Re: 1-4 interaction between atoms in PBC mode   Darrell Koskinen
• [gmx-users] 1-4 interaction between atoms in PBC mode   Darrell Koskinen
  • [gmx-users] 1-4 interaction between atoms in PBC mode   Mark Abraham
• [gmx-users] imprper dihedrals   Vitaly V. Chaban
  • [gmx-users] imprper dihedrals   Mark Abraham
• [gmx-users] 1-4 interaction between atoms in PBC mode   Darrell Koskinen
  • [gmx-users] 1-4 interaction between atoms in PBC mode   Mark Abraham
    • [gmx-users] 1-4 interaction between atoms in PBC mode   Justin A. Lemkul
• [gmx-users] n2t files in gromacs   Vitaly V. Chaban
  • [gmx-users] n2t files in gromacs   Justin A. Lemkul
• [gmx-users] Re: Re: Re: Re: Re: Re: umbrella potential   Thomas Schlesier
  • [gmx-users] Re: Re: Re: Re: Re: Re: umbrella potential   Berk Hess
• [gmx-users] Simulations with solvent shell   Aditi Borkar
  • [gmx-users] Simulations with solvent shell   Justin A. Lemkul
  • [gmx-users] Simulations with solvent shell   Mark Abraham
    • [gmx-users] Simulations with solvent shell   Aditi Borkar
      • [gmx-users] Simulations with solvent shell   Mark Abraham
• [gmx-users] Re: Re: Re: Re: Re: Re: umbrella potential   Stefan Hoorman
  • [gmx-users] Re: Re: Re: Re: Re: Re: umbrella potential   Justin A. Lemkul
• [gmx-users] Simulations with solvent shell   Justin A. Lemkul
• [gmx-users] Re: Re: Re: Re: Re: Re: Re: umbrella potential   Stefan Hoorman
• [gmx-users] nvt.gro   ram bio
  • [gmx-users] nvt.gro   Justin A. Lemkul
    • [gmx-users] nvt.gro   ram bio
      • [gmx-users] nvt.gro   ram bio
      • [gmx-users] nvt.gro   Justin A. Lemkul
      • [gmx-users] nvt.gro   Pramod Akula
• [gmx-users] Force constant conversion   Nilesh Dhumal
  • [gmx-users] Force constant conversion   David van der Spoel
• [gmx-users] viscovity with a help of g_energy   Vitaly V. Chaban
  • [gmx-users] viscovity with a help of g_energy   Justin A. Lemkul
    • [gmx-users] viscovity with a help of g_energy   Vitaly V. Chaban
      • [gmx-users] viscovity with a help of g_energy   Justin A. Lemkul
• [gmx-users] how to save information even after stopping calculation   Miguel Quiliano Meza
  • [gmx-users] how to save information even after stopping calculation   Carsten Kutzner
• [gmx-users] 1-4 interaction between atoms in PBC mode   darrellk at ece.ubc.ca
  • [gmx-users] 1-4 interaction between atoms in PBC mode   Justin A. Lemkul
    • [gmx-users] 1-4 interaction between atoms in PBC mode   Justin A. Lemkul
• [gmx-users] visualization tool for windows   malvezzi at iq.usp.br
  • [gmx-users] visualization tool for windows   Justin A. Lemkul
  • [gmx-users] visualization tool for windows   Vasilii Artyukhov
• [gmx-users] all-bonds   Enemark Soeren
  • [gmx-users] all-bonds   Mark Abraham
    • [gmx-users] all-bonds   Enemark Soeren
• [gmx-users] Probelm of g_rms   nikhil damle
  • [gmx-users] Probelm of g_rms   Mark Abraham
  • [gmx-users] Probelm of g_rms   Justin A. Lemkul
    • [gmx-users] Probelm of g_rms   nikhil damle
      • [gmx-users] Probelm of g_rms   Tsjerk Wassenaar
• [gmx-users] Re: gmx-users Digest, Vol 65, Issue 122   xiao shijun
  • [gmx-users] Re: gmx-users Digest, Vol 65, Issue 122   Mark Abraham
• [gmx-users] Improper dihedrals, which way is correct?   Vitaly V. Chaban
  • [gmx-users] Improper dihedrals, which way is correct?   Justin A. Lemkul
  • [gmx-users] Re: Improper dihedrals, which way is correct?   Vitaly V. Chaban
    • [gmx-users] Re: Improper dihedrals, which way is correct?   Justin A. Lemkul
• [gmx-users] Regarding g_rms   nikhil damle
• [gmx-users] Re: help with gmx C source code   Inon Sharony
  • [gmx-users] Re: help with gmx C source code   aherz
• [gmx-users] About gromacs installation   Enamul Haque
  • [gmx-users] About gromacs installation   Carsten Kutzner
• [gmx-users] Re: Improper dihedrals, which way is correct?   Vitaly V. Chaban
  • [gmx-users] Re: Improper dihedrals, which way is correct?   Justin A. Lemkul
• [gmx-users] question about g_rdf   lammps lammps
• [gmx-users] Consecutive Simulations   Jack Shultz
  • [gmx-users] Consecutive Simulations   Justin A. Lemkul
    • [gmx-users] Consecutive Simulations   Jack Shultz
• [gmx-users] Trajectory files in vmd   Aditi Borkar
  • [gmx-users] Trajectory files in vmd   Omer Markovitch
    • [gmx-users] Trajectory files in vmd   Aditi Borkar
  • [gmx-users] Trajectory files in vmd   J. Rui Rodrigues
    • [gmx-users] Trajectory files in vmd   Aditi Borkar
      • [gmx-users] Trajectory files in vmd   Justin A. Lemkul
• [gmx-users] Re: gmx-users Digest, Vol 65, Issue 83 6. EVB and mapping potentials (rsf)   Gerrit Groenhof
• [gmx-users] Re:FATAL error in GROMACS: z-size of the box‏()   wuxiao
• [gmx-users] Tabulated potential - Problem   albitauro at virgilio.it
  • [gmx-users] Tabulated potential - Problem   Berk Hess
• [gmx-users] overlapping trajectories in multiple MD runs   Lizhe Zhu
  • [gmx-users] overlapping trajectories in multiple MD runs   Justin A. Lemkul
• [gmx-users] Adsorption and nucleation of proteins on surfaces   Agnese Zicari
  • [gmx-users] Adsorption and nucleation of proteins on surfaces   Justin A. Lemkul
• [gmx-users] Re: Re: help with gmx C source code   Inon Sharony
  • [gmx-users] Re: Re: help with gmx C source code   Berk Hess
  • [gmx-users] Re: Re: help with gmx C source code   Mark Abraham
• [gmx-users] trying to get better performance in a Rocks cluster running GROMACS 4.0.4   FLOR MARTINI
  • [gmx-users] trying to get better performance in a Rocks cluster running GROMACS 4.0.4   Berk Hess
    • [gmx-users] trying to get better performance in a Rocks cluster running GROMACS 4.0.4   FLOR MARTINI
      • [gmx-users] trying to get better performance in a Rocks cluster running GROMACS 4.0.4   Carsten Kutzner
      • [gmx-users] trying to get better performance in a Rocks cluster running GROMACS 4.0.4   FLOR MARTINI
• [gmx-users] dummy atoms in planar square Pt   Rebeca García Fandiño
• [gmx-users] timestep fraction complete   Jack Shultz
  • [gmx-users] timestep fraction complete   Mark Abraham
    • [gmx-users] timestep fraction complete   Jack Shultz
      • [gmx-users] timestep fraction complete   Jack Shultz
      • [gmx-users] timestep fraction complete   Mark Abraham
      • [gmx-users] timestep fraction complete   Jack Shultz
• [gmx-users] BUG in GROMACS 4.0.5, related to very log total integration time   Daniel Adriano Silva M
  • [gmx-users] BUG in GROMACS 4.0.5, related to very log total integration time   Mark Abraham
    • [gmx-users] BUG in GROMACS 4.0.5, related to very log total integration time   Daniel Adriano Silva M
    • [gmx-users] BUG in GROMACS 4.0.5, related to very log total integration time   Berk Hess
• [gmx-users] Re: Re: Re: Re: Re: Re: Re: umbrella potential   Stefan Hoorman
  • [gmx-users] Re: Re: Re: Re: Re: Re: Re: umbrella potential   Justin A. Lemkul
• [gmx-users] Re: Re: Re: Re: Re: Re: Re: Re: umbrella potentia   Stefan Hoorman
  • [gmx-users] Re: Re: Re: Re: Re: Re: Re: Re: umbrella potentia   Justin A. Lemkul
• [gmx-users] Error while scaling mdrun for more number of nodes.   vivek sharma
  • [gmx-users] Error while scaling mdrun for more number of nodes.   Berk Hess
    • [gmx-users] Error while scaling mdrun for more number of nodes.   vivek sharma
      • [gmx-users] Error while scaling mdrun for more number of nodes.   Berk Hess
• [gmx-users] martini simulation problem with unsaturated lipid   maria goranovic
  • [gmx-users] martini simulation problem with unsaturated lipid   Berk Hess
• [gmx-users] viscosity and acflen in g_energy   Vitaly V. Chaban
  • [gmx-users] viscosity and acflen in g_energy   Mark Abraham
• [gmx-users] Static build   Jack Shultz
  • [gmx-users] Static build   Mark Abraham
    • [gmx-users] Static build   Jack Shultz
      • [gmx-users] Static build   Ansgar Esztermann
      • [gmx-users] Static build   Jack Shultz
• R: RE: [gmx-users] Tabulated potential - Problem   albitauro at virgilio.it
  • R: RE: [gmx-users] Tabulated potential - Problem   Berk Hess
• [gmx-users] mdrun -x for REMD does not work   jlenz
  • [gmx-users] mdrun -x for REMD does not work   David van der Spoel
• R: RE: R: RE: [gmx-users] Tabulated potential - Problem   albitauro at virgilio.it
• [gmx-users] PEO and OPLS-AA FF in gmx   lammps lammps
  • [gmx-users] PEO and OPLS-AA FF in gmx   Justin A. Lemkul
    • [gmx-users] PEO and OPLS-AA FF in gmx   FLOR MARTINI
      • [gmx-users] PEO and OPLS-AA FF in gmx   Justin A. Lemkul
• [gmx-users] Problem with domain decomposition   Stephane Abel
  • [gmx-users] Problem with domain decomposition   Mark Abraham
• [gmx-users] nvt.gro   Justin A. Lemkul
  • [gmx-users] nvt.gro   ram bio
    • [gmx-users] nvt.gro   Justin A. Lemkul
      • [gmx-users] nvt.gro   ram bio
• [gmx-users] 1-4 interactions   Vitaly V. Chaban
  • [gmx-users] 1-4 interactions   Andrew Paluch
• [gmx-users] How does g_fg2cg work?   wuxiao
• [gmx-users] Bug in g_chi -p?   Justin A. Lemkul
• [gmx-users] computing dihedral given 4 atoms   sandeep somani
  • [gmx-users] computing dihedral given 4 atoms   Justin A. Lemkul
    • [gmx-users] computing dihedral given 4 atoms   sandeep somani
      • [gmx-users] computing dihedral given 4 atoms   sandeep somani
• [gmx-users] Re: Re: Re: umbrella potential   Stefan Hoorman
  • [gmx-users] Re: Re: Re: umbrella potential   Justin A. Lemkul
• [gmx-users] trjconv => not get the enough data ?   Chih-Ying Lin
  • [gmx-users] trjconv => not get the enough data ?   Mark Abraham
• [gmx-users] Re: viscosity and acflen in g_energy   Vitaly V. Chaban
  • [gmx-users] Re: viscosity and acflen in g_energy   Mark Abraham
    • [gmx-users] Re: viscosity and acflen in g_energy   David van der Spoel
  • [gmx-users] Re: viscosity and acflen in g_energy   Vitaly V. Chaban
• [gmx-users] Re: Re: Re: Re: umbrella potential   Stefan Hoorman
  • [gmx-users] Re: Re: Re: Re: umbrella potential   Justin A. Lemkul
• [gmx-users] RE: Problem with domain decomposition   ABEL Stephane 175950
• [gmx-users] how to create a PEO Residue database   lammps lammps
  • [gmx-users] how to create a PEO Residue database   Justin A. Lemkul
• [gmx-users] Re: Re: Re: Re: Re: umbrella potential   Stefan Hoorman
  • [gmx-users] Re: Re: Re: Re: Re: umbrella potential   Justin A. Lemkul
• [gmx-users] Re: viscosity and acflen in g_energy   Vitaly V. Chaban
• [gmx-users] connection to cvs.gromacs.org timed out   Marc F. Lensink
  • [gmx-users] connection to cvs.gromacs.org timed out   Mark Abraham
• [gmx-users] Generating a .gro file from .pdb file   Lum Nforbi
  • [gmx-users] Generating a .gro file from .pdb file   Justin A. Lemkul
    • [gmx-users] Generating a .gro file from .pdb file   Mark Abraham
      • [gmx-users] Generating a .gro file from .pdb file   Tsjerk Wassenaar
• [gmx-users] Simulation of a protein in a water/DMSO box   Simone Cirri
  • [gmx-users] Simulation of a protein in a water/DMSO box   Justin A. Lemkul
• [gmx-users] Re: Re: Re: Re: Re: Re: umbrella potential   Stefan Hoorman
  • [gmx-users] Re: Re: Re: Re: Re: Re: umbrella potential   Justin A. Lemkul
• [gmx-users] Re: Re: Re: Re: Re: Re: Re: umbrella potential   Ragnarok sdf
• [gmx-users] Re: Generating a .gro file from .pdb file   Vitaly V. Chaban
• [gmx-users] Re: Simulation of a protein in a water/DMSO box   Vitaly V. Chaban
  • [gmx-users] Re: Simulation of a protein in a water/DMSO box   Justin A. Lemkul
    • [gmx-users] Re: Simulation of a protein in a water/DMSO box   Vitaly V. Chaban
      • [gmx-users] Re: Simulation of a protein in a water/DMSO box   Justin A. Lemkul
  • [gmx-users] Re: Simulation of a protein in a water/DMSO box   Simone Cirri
    • [gmx-users] Re: Simulation of a protein in a water/DMSO box   Justin A. Lemkul
• [gmx-users] Electrostatic energies of aliphatic carbons in G53a6   Matteus Lindgren
• [gmx-users] gyrate -p   nicegromacs
• [gmx-users] integration protein-bilayer in CG   Francesco Pietra
• [gmx-users] Trjconv trouble   Vigers, Guy
  • [gmx-users] Trjconv trouble   Tsjerk Wassenaar
    • [gmx-users] Trjconv trouble   Mark Abraham
      • [gmx-users] Trjconv trouble   Vigers, Guy
      • [gmx-users] Trjconv trouble   Justin A. Lemkul
      • [gmx-users] Trjconv trouble   Mark Abraham
      • [gmx-users] Trjconv trouble   Vigers, Guy
• [gmx-users] Re: Re: Re: Re: Re: Re: umbrella potential   Stefan Hoorman
  • [gmx-users] Re: Re: Re: Re: Re: Re: umbrella potential   Justin A. Lemkul
• [gmx-users] error in converting charmm to gromacs   Chanchal
  • [gmx-users] error in converting charmm to gromacs   Mark Abraham
• [gmx-users] Error message: Cut-off length is longer than half the shortest box vector   Lum Nforbi
  • [gmx-users] Error message: Cut-off length is longer than half the shortest box vector   Justin A. Lemkul
  • [gmx-users] Error message: Cut-off length is longer than half the shortest box vector   Mark Abraham
    • SV: [gmx-users] Error message: Cut-off length is longer than halfthe shortest box vector   Sarah Witzke
• [gmx-users] output frequency modification   Stanislaw Bobritsky
  • [gmx-users] output frequency modification   Mark Abraham
• [gmx-users] question about energy minimization   Amit Choubey
  • [gmx-users] question about energy minimization   Omer Markovitch
    • [gmx-users] question about energy minimization   Amit Choubey
      • [gmx-users] question about energy minimization   Justin A. Lemkul
• [gmx-users] amidated terminus peptide simulation   Stanislaw Bobritsky
  • [gmx-users] amidated terminus peptide simulation   Justin A. Lemkul
  • [gmx-users] Re: amidated terminus peptide simulation   Stanislaw Bobritsky
    • [gmx-users] Re: amidated terminus peptide simulation   Justin A. Lemkul
• [gmx-users] water molecule cannot be settled   Carla Jamous
  • [gmx-users] water molecule cannot be settled   Tsjerk Wassenaar
    • [gmx-users] water molecule cannot be settled   Carla Jamous
      • [gmx-users] water molecule cannot be settled   Justin A. Lemkul
      • [gmx-users] water molecule cannot be settled   Manik Mayur
      • [gmx-users] water molecule cannot be settled   Itamar Kass
      • [gmx-users] water molecule cannot be settled   Carla Jamous
• [gmx-users] Re: Re: Re: Re: Re: Re: Re: umbrella potential   Stefan Hoorman
  • [gmx-users] Re: Re: Re: Re: Re: Re: Re: umbrella potential   Justin A. Lemkul
• R: RE: R: RE: [gmx-users] Tabulated potential - Problem   albitauro at virgilio.it
  • R: RE: R: RE: [gmx-users] Tabulated potential - Problem   Berk Hess
• [gmx-users] No default G96 Bond types error   Kukol, Andreas
• [gmx-users] neutralizing membrane protein in lipid bilayer +water   ram bio
  • [gmx-users] neutralizing membrane protein in lipid bilayer +water   Justin A. Lemkul
    • [gmx-users] neutralizing membrane protein in lipid bilayer +water   ram bio
      • [gmx-users] neutralizing membrane protein in lipid bilayer +water   Justin A. Lemkul
      • [gmx-users] neutralizing membrane protein in lipid bilayer +water   ram bio
  • [gmx-users] neutralizing membrane protein in lipid bilayer +water   Marc F. Lensink
• [gmx-users] Mailing List Search on the new website   Rossen Apostolov
  • [gmx-users] Mailing List Search on the new website   Mark Abraham
    • [gmx-users] Mailing List Search on the new website   David van der Spoel
      • [gmx-users] Mailing List Search on the new website   Rossen Apostolov
• [gmx-users] error in converting charmm to gromacs !!   Chanchal
  • [gmx-users] error in converting charmm to gromacs !!   Justin A. Lemkul
    • [gmx-users] error in converting charmm to gromacs !!   Chanchal
      • [gmx-users] error in converting charmm to gromacs !!   Mark Abraham
• R: RE: R: RE: R: RE: [gmx-users] Tabulated potential - Problem   albitauro at virgilio.it
  • R: RE: R: RE: R: RE: [gmx-users] Tabulated potential - Problem   Berk Hess
• [gmx-users] neutralizing membrane protein in lipid bilayer +water   Justin A. Lemkul
• [gmx-users] neutralizing membrane protein in lipid bilayer +water   Justin A. Lemkul
  • [gmx-users] neutralizing membrane protein in lipid bilayer +water   ram bio
    • [gmx-users] neutralizing membrane protein in lipid bilayer +water   Justin A. Lemkul
• [gmx-users] Parameter to for randomizing simulation   Jack Shultz
  • [gmx-users] Parameter to for randomizing simulation   Justin A. Lemkul
    • [gmx-users] Parameter to for randomizing simulation   Jack Shultz
      • [gmx-users] Parameter to for randomizing simulation   Justin A. Lemkul
      • [gmx-users] Parameter to for randomizing simulation   Omer Markovitch
• [gmx-users] LINCS dependence   sunny mishra
  • [gmx-users] LINCS dependence   Justin A. Lemkul
    • [gmx-users] LINCS dependence   sunny mishra
      • [gmx-users] LINCS dependence   Justin A. Lemkul
• R: RE: R: RE: R: RE: R: RE: [gmx-users] Tabulated potential - Problem   albitauro at virgilio.it
  • R: RE: R: RE: R: RE: R: RE: [gmx-users] Tabulated potential - Problem   Mark Abraham
• R: Re: R: RE: R: RE: R: RE: R: RE: [gmx-users] Tabulated potential - Problem   albitauro at virgilio.it
  • R: Re: R: RE: R: RE: R: RE: R: RE: [gmx-users] Tabulated potential - Problem   Berk Hess
• [gmx-users] vsites, ffamber, charge groups, N-terminus, and crashes   Jochen Hub
  • [gmx-users] vsites, ffamber, charge groups, N-terminus, and crashes   Berk Hess
    • [gmx-users] vsites, ffamber, charge groups, N-terminus, and crashes   Jochen Hub
  • [gmx-users] vsites, ffamber, charge groups, N-terminus, and crashes   Berk Hess
    • [gmx-users] vsites, ffamber, charge groups, N-terminus, and crashes   Jochen Hub
      • [gmx-users] vsites, ffamber, charge groups, N-terminus, and crashes   Jochen Hub
      • [gmx-users] vsites, ffamber, charge groups, N-terminus, and crashes   Berk Hess
      • [gmx-users] vsites, ffamber, charge groups, N-terminus, and crashes   Jochen Hub
      • [gmx-users] vsites, ffamber, charge groups, N-terminus, and crashes   Jochen Hub
• [gmx-users] (no subject)   Asmaa Elsheshiny
  • [gmx-users] (no subject)   Justin A. Lemkul

Last message date: Wed Sep 30 23:28:28 CEST 2009
Archived on: Thu Nov 14 12:07:24 CET 2013

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