January 2008 Archives by subject

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Starting: Tue Jan 1 04:34:39 CET 2008
Ending: Thu Jan 31 23:45:42 CET 2008
Messages: 676

[gmx-users] (no subject) kinshuk at chem.iitb.ac.in
[gmx-users] (no subject) Mark Abraham
??: Re: [gmx-users] demux.pl David van der Spoel
??: Re: [gmx-users] demux.pl Mark Abraham
??: Re: [gmx-users] demux.pl David van der Spoel
[Bulk] Re: [gmx-users] Re: Targeted MD Yang Ye
[gmx-users] [Fwd: lipid simulation at low temperature (please help me to transmit the letter )] Mark Abraham
[gmx-users] [Fwd: lipid simulation at low temperature (please help me to transmit the letter )] Yang Ye
[Fwd: Re: [gmx-users] mdrun CVS version crashes instantly when run across nodes in parallel] Berk Hess
[Fwd: Re: [gmx-users] mdrun CVS version crashes instantly when run across nodes in parallel] Erik Brandt
[Fwd: Re: [gmx-users] mdrun CVS version crashes instantly when run across nodes in parallel] Carsten Kutzner
[gmx-users] [gmx-developers] double precision, gmx-3.3.1 and 3.3.2 do not work for me David.Osguthorpe at UCHSC.edu
[gmx-users] a minor bug in g_clustsize Ran Friedman
[gmx-users] a problem,Thank you jdy19862002 at 126.com
[gmx-users] a problem,Thank you Maik Goette
[gmx-users] a question yc04023
[gmx-users] a question Justin A. Lemkul
[gmx-users] a question Mark Abraham
[gmx-users] About a "general" force field Francesco Pietra
[gmx-users] About a "general" force field David van der Spoel
[gmx-users] about details of the topology file. Mufaddal Soni
[gmx-users] about details of the topology file. Jochen Hub
[gmx-users] About g_msd Justin A. Lemkul
[gmx-users] About g_msd Xavier Periole
[gmx-users] About g_msd Justin A. Lemkul
[gmx-users] About g_msd Justin A. Lemkul
[gmx-users] About g_msd Alan Dodd
[gmx-users] About g_msd Justin A. Lemkul
[gmx-users] About g_msd David van der Spoel
[gmx-users] About g_msd Patrick Fuchs
[gmx-users] About g_msd Justin A. Lemkul
[gmx-users] About g_msd Justin A. Lemkul
[gmx-users] About g_msd (and noise) Alan Dodd
[gmx-users] About g_msd (and noise) David van der Spoel
[gmx-users] About g_msd (and noise) Patrick Fuchs
[gmx-users] about parallel run Yunierkis Perez Castillo
[gmx-users] about parallel run Mark Abraham
[gmx-users] about parallel run Yang Ye
[gmx-users] about parallel run Yunierkis Perez Castillo
[gmx-users] about parallel run chris.neale at utoronto.ca
[gmx-users] about parallel run Yunierkis Perez Castillo
[gmx-users] About the mdp file when doing umbrella samping simulation Novice
[gmx-users] Adding OH- ions to a system Subhrangshu Supakar
[gmx-users] Adding OH- ions to a system Ran Friedman
[gmx-users] Address for the server of a REMD temperature calculator Carsten Kutzner
[gmx-users] Address for the server of a REMD temperature calculator OZGE ENGIN
[gmx-users] Ambconv running Bruce Ray
[gmx-users] ask help for Potential energy curve calculation Yunan Yan
[gmx-users] Asking help about PME xuji
[gmx-users] Asking help about PME Mark Abraham
[gmx-users] Asking help about PME Yang Ye
[gmx-users] Can not read/write topologies to file type trr Martin Höfling
[gmx-users] Can not read/write topologies to file type trr David van der Spoel
[gmx-users] Can not read/write topologies to file type trr Martin Höfling
[gmx-users] CG energy minimization Myunggi Yi
[gmx-users] CG energy minimization Mark Abraham
[gmx-users] CG energy minimization Myunggi Yi
[gmx-users] CG energy minimization Mark Abraham
[gmx-users] CG energy minimization Myunggi Yi
[gmx-users] CG energy minimization Justin A. Lemkul
[gmx-users] CG energy minimization Myunggi Yi
[gmx-users] CG energy minimization Mark Abraham
[gmx-users] CG energy minimization Mark Abraham
[gmx-users] CG energy minimization Xavier Periole
[gmx-users] Changing source code of GROMACS avinash kumar
[gmx-users] Changing source code of GROMACS David van der Spoel
[gmx-users] charmm force field sarbani chattopadhyay
[gmx-users] Checkpointing GROMACS jobs Steven Kirk
[gmx-users] Checkpointing GROMACS jobs David van der Spoel
[gmx-users] Checkpointing GROMACS jobs Alan Dodd
[gmx-users] Checkpointing GROMACS jobs Chris Neale
[gmx-users] chloroform - oplsaa Mauro Puppett
[gmx-users] chloroform - oplsaa Chris Neale
[gmx-users] chromophore parameters for Molecular Dynamics Anthony Cruz
[gmx-users] chromophore parameters for Molecular Dynamics Justin A. Lemkul
[gmx-users] comm_grps Jochen Hub
[gmx-users] comm_grps priyanka srivastava
[gmx-users] comm_grps priyanka srivastava
[gmx-users] core shell potentials abhishek sharma
[gmx-users] core shell potentials David van der Spoel
[gmx-users] Cuted trr file not readable Edvin Erdtman
[gmx-users] Cuted trr file not readable Jochen Hub
[gmx-users] demux.pl xi zhao
[gmx-users] demux.pl Mark Abraham
[gmx-users] deshuf.ndx doesn't work for forces? LuLanyuan
[gmx-users] deshuf.ndx doesn't work for forces? David van der Spoel
[gmx-users] deshuf.ndx doesn't work for forces? chris.neale at utoronto.ca
[gmx-users] deshuf.ndx doesn't work for forces? LuLanyuan
[gmx-users] deshuf.ndx doesn't work for forces? Chris Neale
[gmx-users] Re: deshuf.ndx doesn't work for forces? Chris Neale
[gmx-users] Re: deshuf.ndx doesn't work for forces? LuLanyuan
[gmx-users] Re: deshuf.ndx doesn't work for forces? Chris Neale
[gmx-users] Re: deshuf.ndx doesn't work for forces? Mark Abraham
[gmx-users] difference between my_dssp and do_dssp ABEL Stephane 175950
[gmx-users] difference between my_dssp and do_dssp David van der Spoel
[gmx-users] Re: Different system volumes from gromacs versions 3.2.1 and 3.3.1 Xavier Periole
[gmx-users] Re: Different system volumes from gromacs versions 3.2.1 and 3.3.1 Perttu Niemela
[gmx-users] Different system volumes from gromacs versions 3.2.1 and 3.3.1 Perttu Niemela
[gmx-users] Dihedral restraints Mark Abraham
[gmx-users] Dihedral restraints Behnoush Zare
[gmx-users] Dihedral restraints Justin A. Lemkul
[gmx-users] Dihedral restraints Behnoush Zare
[gmx-users] Dihedral restraints Behnoush Zare
[gmx-users] dihedral restraints in v3.3 different than v3.3.1 (or broken) Behnoush Zare
[gmx-users] dihedral restraints in v3.3 different than v3.3.1 (or broken) Mark Abraham
[gmx-users] dihedral restraints in v3.3 different than v3.3.1 (or broken) chris.neale at utoronto.ca
[gmx-users] dihedral restraints in v3.3 different than v3.3.1 (or broken) David Mobley
[gmx-users] dihedral restraints wiki section chris.neale at utoronto.ca
[gmx-users] dihedral restraints wiki section Behnoush Zare
[gmx-users] dihedral restraints wiki section Xavier Periole
[gmx-users] dihedral restraints wiki section Mark Abraham
[gmx-users] dihedral restraints wiki section Behnoush Zare
[gmx-users] dihedral restraints wiki section Chris Neale
[gmx-users] dihedral restraints wiki section Mark Abraham
[gmx-users] Dihedral with parameters set to zero van Bemmelen
[gmx-users] Dihedral with parameters set to zero David van der Spoel
[gmx-users] Dihedral with parameters set to zero van Bemmelen
[gmx-users] Dihedral with parameters set to zero David van der Spoel
[gmx-users] Dihedral with parameters set to zero van Bemmelen
[gmx-users] Dihedral with parameters set to zero Maik Goette
[gmx-users] do_dssp file format ABEL Stephane 175950
[gmx-users] do_dssp file format Mark Abraham
[gmx-users] do_dssp file format ABEL Stephane 175950
[gmx-users] do_dssp file format Justin A. Lemkul
[gmx-users] do_dssp file format ABEL Stephane 175950
[gmx-users] do_dssp file format David van der Spoel
[gmx-users] do_dssp file format Justin A. Lemkul
[gmx-users] do_dssp file format David van der Spoel
[gmx-users] do_dssp file format Justin A. Lemkul
[gmx-users] do_dssp file format Mark Abraham
[gmx-users] do_dssp file format ABEL Stephane 175950
[gmx-users] do_dssp file format Mark Abraham
[gmx-users] do_dssp file format ABEL Stephane 175950
[gmx-users] do_dssp file format David van der Spoel
[gmx-users] do_dssp file format ABEL Stephane 175950
[gmx-users] do_dssp file format ABEL Stephane 175950
[gmx-users] do_dssp file format, Resolved !!! ABEL Stephane 175950
[gmx-users] does grompp utilize forces from .trr files chris.neale at utoronto.ca
[gmx-users] doubt about constrain sudheer babu
[gmx-users] doubt about constrain Mark Abraham
[gmx-users] DPhPC structure Jae Hyun Park
[gmx-users] Drug-Enzyme Tutorial SWAPNA
[gmx-users] Drug-Enzyme Tutorial Tsjerk Wassenaar
[gmx-users] Drug-Enzyme Tutorial Justin A. Lemkul
[gmx-users] dynamic cross correlation map Qi Yan
[gmx-users] energy minimization breaks freeze group apart Patricia Francis-Lyon
[gmx-users] energy minimization breaks freeze group apart Xavier Periole
[gmx-users] energy minimization breaks freeze group apart Patricia Francis-Lyon
[gmx-users] energy minimization breaks freeze group apart Justin A. Lemkul
[gmx-users] energy perturbation Farzad Molani
[gmx-users] energy perturbation Farzad Molani
[gmx-users] energy perturbation Mark Abraham
[gmx-users] energy perturbation Farzad Molani
[gmx-users] Re: energy perturbation Farzad Molani
[gmx-users] Re: energy perturbation Farzad Molani
[gmx-users] energy perturbation Maik Goette
[gmx-users] error in .gro file Egidijus Kuprusevicius
[gmx-users] error in .gro file Justin A. Lemkul
[gmx-users] error running gromacs usinh charmm force field sarbani chattopadhyay
[gmx-users] error running gromacs usinh charmm force field Justin A. Lemkul
[gmx-users] error running gromacs usinh charmm force field Mark Abraham
[gmx-users] error running gromacs usinh charmm force field sarbani chattopadhyay
[gmx-users] error while running grompp Mark Abraham
[gmx-users] error while running grompp Ragothaman Yennamalli
[gmx-users] error while running grompp Mark Abraham
[gmx-users] error while running grompp Ragothaman Yennamalli
[gmx-users] error with fix_top_for_charmm.pl sarbani chattopadhyay
[gmx-users] error with fix_top_for_charmm.pl Mark Abraham
[gmx-users] Error with g_angle: VERSION 3.3.2 David van der Spoel
[gmx-users] Error with g_angle: VERSION 3.3.2 Sergio
[gmx-users] Fatal error: atoms 970 and 973 in charge group 600 are in different energy groups Mark Abraham
[gmx-users] Fatal error: atoms 970 and 973 in charge group 600 are in different energy groups Yang Ye
[gmx-users] Fatal error: atoms 970 and 973 in charge group 600 are in different energy groups Mao-Cai Yan
[gmx-users] fatal errors in parallel but not on single processor Patricia Francis-Lyon
[gmx-users] fatal errors in parallel but not on single processor David van der Spoel
[gmx-users] fatal errors in parallel but not on single processor Mark Abraham
[gmx-users] fatal errors in parallel but not on single processor Patricia Francis-Lyon
[gmx-users] FEP : separating components of dgdl BON Michael
[gmx-users] RE: FEP : separating components of dgdl Berk Hess
[gmx-users] FEP trajectory errors Robert Johnson
[gmx-users] FEP trajectory errors Maik Goette
[gmx-users] FEP trajectory errors David Mobley
[gmx-users] FEP trajectory errors Robert Johnson
[gmx-users] FEP trajectory errors Maik Goette
[gmx-users] FEP trajectory errors Robert Johnson
[gmx-users] FEP trajectory errors Maik Goette
[gmx-users] FEP trajectory errors Robert Johnson
[gmx-users] fit the secondary structure time serie graph in page Justin A. Lemkul
[gmx-users] fit the secondary structure time serie graph in page ABEL Stephane 175950
[gmx-users] fit the secondary structure time serie graph in page ABEL Stephane 175950
[gmx-users] fix_top_for_charmm.pl problem sarbani chattopadhyay
[gmx-users] fix_top_for_charmm.pl problem Mark Abraham
[gmx-users] free energy calculation Li Qiang
[gmx-users] RE: free energy calculation Spiwok Vojtech
[gmx-users] free energy calculation Maik Goette
[gmx-users] Fwd: x2top Tsjerk Wassenaar
[gmx-users] g_covar tangxuan
[gmx-users] g_covar Berk Hess
[gmx-users] g_covar tangxuan
[gmx-users] g_covar Mark Abraham
[gmx-users] g_covar tangxuan
[gmx-users] g_covar Mark Abraham
[gmx-users] g_covar tangxuan
[gmx-users] g_density Antonia Vyrkou
[gmx-users] g_density Alan Dodd
[gmx-users] g_density oscilations Antonia Vyrkou
[gmx-users] g_densmap per slice Sung Hyun Park
[gmx-users] g_hbond -contact -xpm does not work Michel Cuendet
[gmx-users] g_hbond -contact -xpm does not work David van der Spoel
[gmx-users] g_hbond -contact -xpm does not work David van der Spoel
[gmx-users] g_hbond -contact -xpm does not work David van der Spoel
[gmx-users] g_hbond -contact -xpm does not work David van der Spoel
[gmx-users] g_hbond -contact -xpm does not work David van der Spoel
[gmx-users] g_rdf -[no]com Vasilii Artyukhov
[gmx-users] g_rdf -[no]com David van der Spoel
[gmx-users] g_rdf -[no]com Vasilii Artyukhov
[gmx-users] g_rdf -[no]com Berk Hess
[gmx-users] g_rdf -[no]com Vasilii Artyukhov
[gmx-users] g_rmsf fitting tangxuan
[gmx-users] g_rmsf fitting Tsjerk Wassenaar
[gmx-users] g_rmsf fitting tangxuan
[gmx-users] g_rmsf fitting David van der Spoel
[gmx-users] g_rmsf fitting Tsjerk Wassenaar
[gmx-users] g_rmsf fitting tangxuan
[gmx-users] g_rmsf fitting Tsjerk Wassenaar
[gmx-users] g_wham help. DAVID RINCON
[gmx-users] Generating topology file for a molecule (FNP) not in the gromacs library. Justin A. Lemkul
[gmx-users] Generating topology file for a molecule (FNP) not in the gromacs library. Jochen Hub
[gmx-users] Generating topology file for a molecule (FNP) not in the gromacs library. Maik Goette
[gmx-users] Generating topology file for a molecule (FNP) not in the gromacs library. Mufaddal Soni
[gmx-users] Generating topology file for a molecule (FNP) not in the gromacs library. van Bemmelen
[gmx-users] Generating topology file for a molecule (FNP) not in the gromacs library. Tsjerk Wassenaar
[gmx-users] Generating topology file for a molecule (FNP) not in the gromacs library. Chris Neale
[gmx-users] generation of guanidium intramolecular force-field kinshuk at chem.iitb.ac.in
[gmx-users] generation of guanidium intramolecular force-field Justin A. Lemkul
[gmx-users] generation of guanidium intramolecular force-field kinshuk at chem.iitb.ac.in
[gmx-users] generation of guanidium intramolecular force-field David van der Spoel
[gmx-users] generation of guanidium intramolecular force-field Mark Abraham
[gmx-users] Gff53a6.rtp error (at least GMX331) Mitchell Stanton-Cook
[gmx-users] Gff53a6.rtp error (at least GMX331) Mitchell Stanton-Cook
[gmx-users] GMX CPMD K+ ion problem Andrey V Golovin
[gmx-users] GMX CPMD K+ ion problem Marius Retegan
[gmx-users] GMX CPMD K+ ion problem Andrey V Golovin
[gmx-users] Re: GMX CPMD K+ ion problem Andrey V Golovin
[gmx-users] Re: GMX CPMD K+ ion problem Marius Retegan
[gmx-users] Re: GMX CPMD K+ ion problem Andrey V Golovin
[gmx-users] Re: GMX CPMD K+ ion problem ggroenh
[gmx-users] Re: gmx-users Digest, Vol 45, Issue 120 Ángel Piñeiro
[gmx-users] Re: gmx-users Digest, Vol 45, Issue 120 David van der Spoel
[gmx-users] Re: gmx-users Digest, Vol 45, Issue 120 Mark Abraham
[gmx-users] RE: gmx-users Digest, Vol 45, Issue 28 van Bemmelen
[gmx-users] Re: gmx-users Digest, Vol 45, Issue 29 Mufaddal Soni
[gmx-users] Re: gmx-users Digest, Vol 45, Issue 30 Prasad Gajula
[gmx-users] Re: gmx-users Digest, Vol 45, Issue 30 David van der Spoel
[gmx-users] Re: gmx-users Digest, Vol 45, Issue 30 Tsjerk Wassenaar
[gmx-users] Re: gmx-users Digest, Vol 45, Issue 60 Egidijus Kuprusevicius
[gmx-users] Go-model Hamiltonian eddie mendel
[gmx-users] Go-model Hamiltonian Xavier Periole
[gmx-users] Re: Go-model Hamiltonian (Xavier Periole) eddie mendel
[gmx-users] Re: Go-model Hamiltonian (Xavier Periole) Xavier Periole
[gmx-users] GROMACS 3.3.3 ? Moore, Jonathan (J)
[gmx-users] Re: gromacs installation (some broken links in wiki?) Carsten Kutzner
[gmx-users] Re: gromacs installation (some broken links in wiki?) Mark Abraham
[gmx-users] Gromacs installation: cannot find LibXmu.la Andreas Kukol
[gmx-users] Gromacs installation: cannot find LibXmu.la Diego Enry
[gmx-users] Gromacs installation: cannot find LibXmu.la Carsten Kutzner
[gmx-users] GROMACS ON CYGWIN. DAVID RINCON
[gmx-users] GROMACS ON CYGWIN. Mark Abraham
[gmx-users] GROMACS ON CYGWIN. Nabajyoti Goswami
[gmx-users] Gromacs version Ragothaman Yennamalli
[gmx-users] Gromacs version Tsjerk Wassenaar
[gmx-users] Gromacs version Mark Abraham
[gmx-users] Gromacs version Ragothaman Yennamalli
[gmx-users] gromacs versus amber boxsize servaas michielssens
[gmx-users] gromacs versus amber boxsize Xavier Periole
[gmx-users] gromacs versus amber boxsize -correction- servaas michielssens
[gmx-users] gromacs versus amber boxsize -correction- Xavier Periole
[gmx-users] gromacs versus amber boxsize -correction- Mark Abraham
[gmx-users] gromacs versus amber boxsize -correction- Florian Haberl
[gmx-users] GromacsGUI 0.5.2 is available. Reza Salari
[gmx-users] GromacsInstallation on Solaris 10 Sangamesh B
[gmx-users] Grompp error Jens Pohl
[gmx-users] Grompp error Justin A. Lemkul
[gmx-users] grompp error with charmm sarbani chattopadhyay
[gmx-users] grompp error with charmm Xavier Periole
[gmx-users] grompp problem Jens Pohl
[gmx-users] grompp problem Justin A. Lemkul
[gmx-users] grompp problem Chris Neale
[gmx-users] grompp problem Jens Pohl
[gmx-users] grompp problem Jens Pohl
[gmx-users] grompp problem with trr input option.... sgaray at fbcb.unl.edu.ar
[gmx-users] grompp problem with trr input option.... David van der Spoel
[gmx-users] grompp warnings/errors I haven't seen before David Mobley
[gmx-users] Re: grompp warnings/errors I haven't seen before David Mobley
[gmx-users] Re: grompp warnings/errors I haven't seen before bharat v. adkar
[gmx-users] How can I add ffG43a1p force field to gromacs software? Mark Abraham
[gmx-users] How can I add ffG43a1p force field to gromacs software? Maik Goette
[gmx-users] How can I add ffG43a1p force field to gromacs software? Mark Abraham
[gmx-users] How can I add ffG43a1p force field to gromacs software? Tsjerk Wassenaar
[gmx-users] How can I add ffG43a1p force field to gromacs software? Xavier Periole
[gmx-users] How can I add ffG43a1p force field to gromacs software? Mitra Kheirabadi
[gmx-users] How can I add ffG43a1p force field to gromacs software? Mitra Kheirabadi
[gmx-users] How can I add ffG43a1p force field to gromacs software? Mitra Kheirabadi
[gmx-users] How can I add ffG43a1p force field to gromacs software? Mitra Kheirabadi
[gmx-users] How can I add ffG43a1p force field to gromacs software? Mitra Kheirabadi
[gmx-users] How can I add ffG43a1p force field to gromacs software? Mitra Kheirabadi
[gmx-users] Re: how to create tpr file from pdb created with Hyperhem for using with OPLS Mark Abraham
[gmx-users] Re: how to create tpr file from pdb created with Hyperhem for using with OPLS Egidijus Kuprusevicius
[gmx-users] how to create tpr file from pdb created with Hyperhem for using with OPLS Egidijus Kuprusevicius
[gmx-users] how to create tpr file from pdb created with Hyperhem for using with OPLS Mark Abraham
[gmx-users] how to get charmm force field input file for MD sarbani chattopadhyay
[gmx-users] how to get charmm force field input file for MD Mark Abraham
[gmx-users] how to perform a minimization of an isolated drug Sergio de Alencar
[gmx-users] how to perform a minimization of an isolated drug Justin A. Lemkul
[gmx-users] How to remove H atom from residue in gro file? Nelson Cotrim
[gmx-users] How to remove H atom from residue in gro file? Justin A. Lemkul
[gmx-users] How to remove H atom from residue in gro file? Nelson Cotrim
[gmx-users] How to remove H atom from residue in gro file? Justin A. Lemkul
[gmx-users] How to remove H atom from residue in gro file? Maik Goette
[gmx-users] How to remove H atom from residue in gro file? Nelson Cotrim
[gmx-users] How to remove H atom from residue in gro file? Justin A. Lemkul
[gmx-users] How to remove H atom from residue in gro file? Nelson Cotrim
[gmx-users] how to run MD of a new molecule using OPLS Egidijus Kuprusevicius
[gmx-users] how to run MD of a new molecule using OPLS Mark Abraham
[gmx-users] how to run MD of a new molecule using OPLS David van der Spoel
[gmx-users] How to use .edo file to get information? Anirban Ghosh
[gmx-users] HPC-EUROPA Xavier Periole
[gmx-users] ihedral restraints in v3.3 different than dihedral restraints in v3.3 different than v3.3 (or broken) chris.neale at utoronto.ca
[gmx-users] image control Myunggi Yi
[gmx-users] image control Alan Dodd
[gmx-users] image control Myunggi Yi
[gmx-users] image control Alan Dodd
[gmx-users] image control Myunggi Yi
[gmx-users] image control Justin A. Lemkul
[gmx-users] image control Tsjerk Wassenaar
[gmx-users] image control Myunggi Yi
[gmx-users] image control Myunggi Yi
[gmx-users] image control Justin A. Lemkul
[gmx-users] image control Myunggi Yi
[gmx-users] image control Mark Abraham
[gmx-users] image control Myunggi Yi
[gmx-users] image control Mark Abraham
[gmx-users] image control Tsjerk Wassenaar
[gmx-users] image control Myunggi Yi
[gmx-users] image control Tsjerk Wassenaar
[gmx-users] Re: image control chris.neale at utoronto.ca
[gmx-users] information for analysis pragya chohan
[gmx-users] information for analysis Louic Vermeer
[gmx-users] information for analysis Steffen Wolf
[gmx-users] installation problem for MAC OS Yunan Yan
[gmx-users] installation problem for MAC OS Per Larsson
[gmx-users] Re: installation problem for MAC OS Yunan Yan
[gmx-users] interchain bond Velia Minicozzi
[gmx-users] interchain bond Xavier Periole
[gmx-users] interchain bond Jochen Hub
[gmx-users] interchain bond Velia Minicozzi
[gmx-users] interchain bond Velia Minicozzi
[gmx-users] interchain bond Xavier Periole
[gmx-users] interchain bond Velia Minicozzi
[gmx-users] interface between Gromacs & CPMD Yunan Yan
[gmx-users] Invalid order for directive defaults Myunggi Yi
[gmx-users] Re: Invalid order for directive defaults Myunggi Yi
[gmx-users] Invalid order for directive defaults Mark Abraham
[gmx-users] Is there any chance to concatenate (fast) more than 1000 energy files.... Diego Enry
[gmx-users] Is there any chance to concatenate (fast) more than 1000 energy files.... Mark Abraham
[gmx-users] Is there any chance to concatenate (fast) more than 1000 energy files....(Solved!!!) Sergio Garay
[gmx-users] Is there any chance to concatenate (fast) more than 1000 energy files.... Sergio
[gmx-users] Is there any chance to concatenate (fast) more, than 1000 energy files.... Justin A. Lemkul
[gmx-users] Is there any chance to concatenate (fast) more, than 1000 energy files.... Sergio
[gmx-users] LINCS Stephen M. Dutz
[gmx-users] LINCS Mark Abraham
[gmx-users] LINCS Stephen M. Dutz
[gmx-users] lipid simulation at low temperature xingang shi
[gmx-users] lipid simulation at low temperature Xavier Periole
[gmx-users] Magic Number Error alessandro casoni
[gmx-users] Magic Number Error Xavier Periole
[gmx-users] Magic Number Error Mark Abraham
[gmx-users] Magic Number Error alessandro casoni
[gmx-users] Magic Number Error alessandro casoni
[gmx-users] Magic Number Error Mark Abraham
[gmx-users] make_hole error installation Landry.CHARLIER at unice.fr
[gmx-users] make_hole error installation Steffen Wolf
[gmx-users] mdrun CVS version crashes instantly when run across nodes in parallel Erik Brandt
[gmx-users] mdrun CVS version crashes instantly when run across nodes in parallel Carsten Kutzner
[gmx-users] membrane protein simulation pragya chohan
[gmx-users] membrane protein simulation Justin A. Lemkul
[gmx-users] membrane protein simulation Mark Abraham
[gmx-users] Mn parameters andrea spitaleri
[gmx-users] Mn parameters andrea spitaleri
[gmx-users] Modified Lennard Jones potential avinash kumar
[gmx-users] Modified Lennard Jones potential Mark Abraham
[gmx-users] MPI issue Paul Whitford
[gmx-users] MPI issue David van der Spoel
[gmx-users] MPI issue Carsten Kutzner
[gmx-users] N terminus charge groups in ffG53a6 van Bemmelen
[gmx-users] N terminus charge groups in ffG53a6 David van der Spoel
[gmx-users] NOE restraints and undefined hydrogen atoms, virtual interaction sites Louic Vermeer
[gmx-users] NOE restraints and undefined hydrogen atoms, virtual interaction sites Louic Vermeer
[gmx-users] NOE restraints and undefined hydrogen atoms, virtual interaction sites chris.neale at utoronto.ca
[gmx-users] NOE restraints and undefined hydrogen atoms, virtual interaction sites Mark Abraham
[gmx-users] NOE restraints and undefined hydrogen atoms, virtual interaction sites Mark Abraham
[gmx-users] NOE restraints and undefined hydrogen atoms, virtual interaction sites Louic Vermeer
[gmx-users] Number of degrees of freedom for generating velocities Esteban Vöhringer
[gmx-users] Number of degrees of freedom for generating velocities David van der Spoel
[gmx-users] on pdb files structure Egidijus Kuprusevicius
[gmx-users] on pdb files structure Mark Abraham
[gmx-users] Orientation restraints from FTIR Hadas Leonov
[gmx-users] output coordinate file of ionic system renying
[gmx-users] output coordinate file of ionic system Xavier Periole
[gmx-users] output coordinate file of ionic system Jochen Hub
[gmx-users] parallel compilation fails gleb solomentsev
[gmx-users] parallel compilation fails David van der Spoel
[gmx-users] Parrinello-Rahman coupling and constant slight evolution of box sides Jean-Paul Becker
[gmx-users] Parrinello-Rahman coupling and constant slight evolution of box sides Chris Neale
[gmx-users] Pi Stacking in OPLSAA ff Ramya Cherukupalli
[gmx-users] Pi Stacking in OPLSAA ff David van der Spoel
[gmx-users] polyatomic ion additon by genion David van der Spoel
[gmx-users] polyatomic ion additon by genion kinshuk at chem.iitb.ac.in
[gmx-users] polyatomic ion additon by genion kinshuk at chem.iitb.ac.in
[gmx-users] polyatomic ion additon by genion & genbox kinshuk at chem.iitb.ac.in
[gmx-users] position restraint on a plane Myunggi Yi
[gmx-users] position restraint on a plane David van der Spoel
[gmx-users] position restraint on a plane Anirban Mudi
[gmx-users] position restraint on a plane Myunggi Yi
[gmx-users] position restraint on a plane Myunggi Yi
[gmx-users] position restraint on a plane Mark Abraham
[gmx-users] position restraint on a plane Mark Abraham
[gmx-users] position restraint on a plane Myunggi Yi
[gmx-users] position restraint on a plane Justin A. Lemkul
[gmx-users] position restraint on a plane Xavier Periole
[gmx-users] Position Restraints MD Philip Shushkov
[gmx-users] Position Restraints MD Mark Abraham
[gmx-users] Position Restraints MD Philip Shushkov
[gmx-users] Position Restraints MD Mark Abraham
[gmx-users] potential tables not working avinash kumar
[gmx-users] Proble while running minimization using .tpr file kinshuk at chem.iitb.ac.in
[gmx-users] Proble while running minimization using .tpr file Xavier Periole
[gmx-users] Re: Problem in adding Ryckaert-Bell. types using charmm Mark Abraham
[gmx-users] problem in bilayer simulation Mark Abraham
[gmx-users] problem in bilayer simulation pragya chohan
[gmx-users] problem in bilayer simulation Mark Abraham
[gmx-users] Re: problem in bilayer simulation Markus Miettinen
[gmx-users] problem in pr.mdp file Mark Abraham
[gmx-users] problem installing gromacs Mark Abraham
[gmx-users] problem of pr.mdp file sudheer
[gmx-users] problem of pr.mdp file David van der Spoel
[gmx-users] problem of pr.mdp file Mark Abraham
[gmx-users] problem of pr.mdp file Yin Jian
[gmx-users] Problem regarding Complex ion addition by genbox kinshuk at chem.iitb.ac.in
[gmx-users] Problem regarding Complex ion addition by genbox chris.neale at utoronto.ca
[gmx-users] Problem regarding Complex ion addition by genbox chris.neale at utoronto.ca
[gmx-users] Problem regarding Complex ion addition by genbox kinshuk at chem.iitb.ac.in
[gmx-users] Problem regarding Complex ion addition by genbox chris.neale at utoronto.ca
[gmx-users] Problem regarding Complex ion addition by genbox kinshuk at chem.iitb.ac.in
[gmx-users] problem regarding editconf sudheer babu
[gmx-users] problem regarding editconf Mark Abraham
[gmx-users] problem regarding grompp kinshuk at chem.iitb.ac.in
[gmx-users] problem regarding grompp Mark Abraham
[gmx-users] problem regarding grompp kinshuk at chem.iitb.ac.in
[gmx-users] problem regarding grompp Mark Abraham
[gmx-users] problem regarding range checking error kinshuk at chem.iitb.ac.in
[gmx-users] Problem while extending simulation time by tpbconv Anirban Ghosh
[gmx-users] Problem while extending simulation time by tpbconv Justin A. Lemkul
[gmx-users] problem with GROMACS parallelization Anna Marabotti
[gmx-users] problem with GROMACS parallelization Mark Abraham
[gmx-users] problem with GROMACS parallelization Carsten Kutzner
[gmx-users] problem with result from g_rdf Sheyore Omovie
[gmx-users] RE: problem with result from g_rdf van Bemmelen
[gmx-users] problems in rtp while runing pdb2gmx Egidijus Kuprusevicius
[gmx-users] problems in rtp while runing pdb2gmx Justin A. Lemkul
[gmx-users] problems with double precision gmx Michael Brunsteiner
[gmx-users] Re: problems with double precision gmx - solved Michael Brunsteiner
[gmx-users] Problems with GROMPP Jens Pohl
[gmx-users] Problems with GROMPP David van der Spoel
[gmx-users] Problems with GROMPP Mark Abraham
[gmx-users] Problems with GROMPP Jochen Hub
[gmx-users] Problems with GROMPP Jens Pohl
[gmx-users] Problems with GROMPP Mark Abraham
[gmx-users] Problems with GROMPP Jens Pohl
[gmx-users] Problems with GROMPP Mark Abraham
[gmx-users] Problems with GROMPP Justin A. Lemkul
[gmx-users] Problems with GROMPP Jens Pohl
[gmx-users] Problems with GROMPP Mark Abraham
[gmx-users] Problems with GROMPP Jens Pohl
[gmx-users] Problems with GROMPP chris.neale at utoronto.ca
[gmx-users] Problems with GROMPP Jens Pohl
[gmx-users] Protein Moving Out of Box in ED Anirban Ghosh
[gmx-users] Protein Moving Out of Box in ED Xavier Periole
[gmx-users] Protocol describing how to add a new force field into Gromacs Mark Abraham
[gmx-users] Protocol describing how to add a new force field into Gromacs Tandia, Adama
[gmx-users]query regarding unfolding of protein at higher temperature Tsjerk Wassenaar
[gmx-users]query regarding unfolding of protein at higher temperature sangeeta kundu
[gmx-users] query related to rerunning MD Ragothaman Yennamalli
[gmx-users] query related to rerunning MD Xavier Periole
[gmx-users] Question Hassan Shafiey
[gmx-users] Question Mark Abraham
[gmx-users] Question about analysing micelle structure Alif M Latif
[gmx-users] Question about analysing micelle structure Ran Friedman
[gmx-users] Question about analysing micelle structure Chris Neale
[gmx-users] Question regarding compatibility of UFF and GROMACS Subhashis Biswas
[gmx-users] Question regarding compatibility of UFF and GROMACS David van der Spoel
[gmx-users] Question regarding compatibility of UFF and GROMACS Yang Ye
[gmx-users] Question Regarding Ligand-Enzyme Complex Mark Zottola
[gmx-users] Question Regarding Ligand-Enzyme Complex Mark Abraham
[gmx-users] Question Regarding Ligand-Enzyme Complex Mark Zottola
[gmx-users] Question Regarding Ligand-Enzyme Complex Berk Hess
[gmx-users] Question Regarding Ligand-Enzyme Complex David Mobley
[gmx-users] Quick equilibration Myunggi Yi
[gmx-users] Quick equilibration David van der Spoel
[gmx-users] Quick equilibration Myunggi Yi
[gmx-users] R:Re: problem with GROMACS parallelization Anna Marabotti
[gmx-users] RE : FEP : separating components of dgdl BON Michael
[gmx-users] RE: RE : FEP : separating components of dgdl Berk Hess
[gmx-users] RE: RE : FEP : separating components of dgdl Berk Hess
[gmx-users] RE : FEP : separating components of dgdl BON Michael
[gmx-users] RE: RE : FEP : separating components of dgdl Berk Hess
[gmx-users] RE : FEP : separating components of dgdl Maik Goette
[gmx-users] RE : FEP : separating components of dgdl BON Michael
[gmx-users] RE: RE : FEP : separating components of dgdl (Berk Hess) BON Michael
[gmx-users] RE: RE : FEP : separating components of dgdl (Berk Hess) Berk Hess
[gmx-users] RE : gmx-users Digest, Vol 45, Issue 36 ABEL Stephane 175950
[gmx-users] RE : gmx-users Digest, Vol 45, Issue 36 Justin A. Lemkul
[gmx-users] RE : gmx-users Digest, Vol 45, Issue 36 Mark Abraham
[gmx-users] RE : Serious mistake in the manual ! BON Michael
[gmx-users] replica exchange output information David Mobley
[gmx-users] replica exchange output information David van der Spoel
[gmx-users] replica exchange output information David Mobley
[gmx-users] replica exchange output information David van der Spoel
[gmx-users] replica exchange output information David Mobley
[gmx-users] replica exchange output information Mark Abraham
[gmx-users] replica exchange output information David van der Spoel
[gmx-users] replica exchange output information Berk Hess
[gmx-users] replica exchange output information Mark Abraham
[gmx-users] residue index tangxuan
[gmx-users] residue index David van der Spoel
[gmx-users] restraint numbering in g_disre output Bruce Milne
[gmx-users] restraint numbering in g_disre output Berk Hess
[gmx-users] RMSD calculations by g_rms Tsjerk Wassenaar
[gmx-users] rmsd fluctuation of the dihedrals Prasad Gajula
[gmx-users] rmsd fluctuation of the dihedrals David van der Spoel
[gmx-users] rmsd with average structure Prasad Gajula
[gmx-users] rmsd with average structure David van der Spoel
[gmx-users] Rugged dG/dlambda when turning off charges Robert Johnson
[gmx-users] Rugged dG/dlambda when turning off charges David Mobley
[gmx-users] Rugged dG/dlambda when turning off charges Robert Johnson
[gmx-users] Rugged dG/dlambda when turning off charges David Mobley
[gmx-users] Rugged dG/dlambda when turning off charges van Bemmelen
[gmx-users] Rugged dG/dlambda when turning off charges Maik Goette
[gmx-users] Rugged dG/dlambda when turning off charges Maik Goette
[gmx-users] Rugged dG/dlambda when turning off charges Robert Johnson
[gmx-users] Search doesn't work past May 2007 van Bemmelen
[gmx-users] Search doesn't work past May 2007 David van der Spoel
[gmx-users] Serious mistake in the manual ! In the code too ?! BON Michael
[gmx-users] RE: Serious mistake in the manual ! In the code too ?! Berk Hess
[gmx-users] Serious mistake in the manual ! In the code too ?! David van der Spoel
[gmx-users] Shake block errors with d.lzm Ganesh CN
[gmx-users] Shake block errors with d.lzm David van der Spoel
[gmx-users] Shake block errors with d.lzm Ganesh CN
[gmx-users] Shake block errors with d.lzm David van der Spoel
[gmx-users] Shake block errors with d.lzm Mark Abraham
[gmx-users] shell model David van der Spoel
[gmx-users] shell model[ defaults ] LJ Geometric [ atomtypes ] ; name mass charge ptype c6 c12 WO 15.99940 0.0 A 0.0 0.0 WH 1.00800 0.0 A 0.0 0.0 WS 0.0 0.0 S 0.0 0.0 WD 0.0 0.0 D 0.0 0.0 [ nonbond_params ] #ifdef RIGID #ifdef ANISOTROPIC WH WH 1 4.0e-5 4.0e-8 WS abhishek sharma
[gmx-users] Skewed box using Parrinello-Rahman pressure coupling reich at mpikg.mpg.de
[gmx-users] Skewed box using Parrinello-Rahman pressure coupling Berk Hess
[gmx-users] Skewed box using Parrinello-Rahman pressure coupling reich at mpikg.mpg.de
[gmx-users] Softwares for ab initio MD with gromacs Subhrangshu Supakar
[gmx-users] Softwares for ab initio MD with gromacs Mark Abraham
[gmx-users] Softwares for ab initio MD with gromacs Ran Friedman
[gmx-users] solvent within 3.5 angstrom of protein. David.Osguthorpe at UCHSC.edu
[gmx-users] solvent within 3.5 angstrom of protein. David van der Spoel
[gmx-users] source code avinash kumar
[gmx-users] source code Xavier Periole
[gmx-users] source code change avinash kumar
[gmx-users] source code change David van der Spoel
[gmx-users] source code change Maik Goette
[gmx-users] source code change avinash kumar
[gmx-users] source code change Maik Goette
[gmx-users] Specified frame doesn't exist or file not seekable Arnau Cordomi
[gmx-users] Specified frame doesn't exist or file not seekable Alan Dodd
[gmx-users] Specified frame doesn't exist or file not seekable Arnau Cordomi
[gmx-users] t-coupling and freeze groups Zhou Bo
[gmx-users] Tabulated non-bonding interactions and speed Ran Friedman
[gmx-users] Tabulated non-bonding interactions and speed David van der Spoel
[gmx-users] Targeted MD Stanislav Bobritsky
[gmx-users] Targeted MD Mark Abraham
[gmx-users] Targeted MD Ran Friedman
[gmx-users] Re: Targeted MD Stanislav Bobritsky
[gmx-users] Re: Targeted MD Stanislav Bobritsky
[gmx-users] Re: Targeted MD Ran Friedman
[gmx-users] Re: Targeted MD Berk Hess
[gmx-users] Re: Targeted MD Stanislav Bobritsky
[gmx-users] Re: Targeted MD Mark Abraham
[gmx-users] Re: Targeted MD wei-xin xu
[gmx-users] Re: Targeted MD Yang Ye
[gmx-users] Re: Targeted MD Mark Abraham
[gmx-users] Re: Targeted MD Novice
[gmx-users] Re: Targeted MD Steven Kirk
[gmx-users] Re: Targeted MD Mark Abraham
[gmx-users] Temperature without trr Alan Dodd
[gmx-users] Temperature without trr David van der Spoel
[gmx-users] Temperature without trr Alan Dodd
[gmx-users] Temperature without trr David van der Spoel
[gmx-users] tersoff potentials abhishek sharma
[gmx-users] tersoff potentials David van der Spoel
[gmx-users] Re: The results of your email commands Farzad Molani
[gmx-users] topology treatment in free energy calculations -possible bug Maik Goette
[gmx-users] topology treatment in free energy calculations -possible bug Berk Hess
[gmx-users] topology treatment in free energy calculations - possible bug Maik Goette
[gmx-users] topology treatment in free energy calculations - possible bug David Mobley
[gmx-users] topology treatment in free energy calculations - possible bug bharat v. adkar
[gmx-users] topology treatment in free energy calculations - possible bug_2nd Maik Goette
[gmx-users] topology treatment in free energy calculations - possible bug_2nd David Mobley
[gmx-users] torsion potential with 7 parameters Ángel Piñeiro
[gmx-users] torsion potential with 7 parameters David van der Spoel
[gmx-users] torsion potential with 7 parameters Ran Friedman
[gmx-users] torsion potential with 7 parameters Ángel Piñeiro
[gmx-users] torsion potential with 7 parameters Ángel Piñeiro
[gmx-users] Trajectory files are too big Nabajyoti Goswami
[gmx-users] Trajectory files are too big Bjoern Windshuegel
[gmx-users] Trajectory files are too big Andreas Kukol
[gmx-users] Trajectory files are too big Mark Abraham
[gmx-users] Trajectory files are too big Nabajyoti Goswami
[gmx-users] trouble compiling gromacs-3.3.2 on OS X 10.5.1 Scott Milner
[gmx-users] trouble compiling gromacs-3.3.2 on OS X 10.5.1 Mark Abraham
[gmx-users] trouble compiling gromacs-3.3.2 on OS X 10.5.1 DAVID RINCON
[gmx-users] trouble compiling gromacs-3.3.2 on OS X 10.5.1 Scott Milner
[gmx-users] trouble compiling gromacs-3.3.2 on OS X 10.5.1 Scott Milner
[gmx-users] trouble compiling gromacs-3.3.2 on OS X 10.5.1 Mark Abraham
[gmx-users] Turn off the diheral energy Myunggi Yi
[gmx-users] Turn off the diheral energy Mark Abraham
[gmx-users] Turn off the diheral energy Tsjerk Wassenaar
[gmx-users] Turn off the diheral energy Myunggi Yi
[gmx-users] Re: Umbrella Sampling Ilya Chorny
[gmx-users] Umbrella Sampling options Dechang Li
[gmx-users] Umbrella Sampling options Jochen Hub
[gmx-users] use do_dssp with only pdb file with many configurations in it Tsjerk Wassenaar
[gmx-users] use do_dssp with only pdb file with many configurations in it ABEL Stephane 175950
[gmx-users] use of distance dependent dielctric kinshuk at chem.iitb.ac.in
[gmx-users] use of distance dependent dielctric Mark Abraham
[gmx-users] use of distance dependent dielctric Ran Friedman
[gmx-users] use of distance dependent dielctric David van der Spoel
[gmx-users] Vacancies andrea correa
[gmx-users] Virtual site and constraints Нилов Дмитрий
[gmx-users] Virtual site and constraints Нилов Дмитрий
[gmx-users] Virtual site and constraints David van der Spoel
Re[2]: [gmx-users] Virtual site and constraints Нилов Дмитрий
[gmx-users] Virtual site and constraints David van der Spoel
Re[2]: [gmx-users] Virtual site and constraints Нилов Дмитрий
[gmx-users] Virtual site and constraints David van der Spoel
Re[2]: [gmx-users] Virtual site and constraints Нилов Дмитрий
[gmx-users] Virtual site and constraints Maik Goette
Re: [gmx-users] Virtual site and constraints Нилов Дмитрий
[gmx-users] WARNING concerning lipid.itp Wissensbund at gmx.net
[gmx-users] Warning: pressure scaling more than 1% Wissensbund at gmx.net
[gmx-users] Weird structure after minimization (membrane proteinsimulation Mark Abraham
[gmx-users] Weird structure after minimization (membrane proteinsimulation alokjain at iitk.ac.in
[gmx-users] Weird structure after minimization (membrane proteinsimulation Mark Abraham
[gmx-users] Weird structure after minimization (membrane proteinsimulation alokjain at iitk.ac.in
[gmx-users] Weird structure after minimization (membrane proteinsimulation alokjain at iitk.ac.in
[gmx-users] Weird structure after minimization (membrane proteinsimulation Alok
[gmx-users] Weird structure after minimization (membrane protein simulation alokjain at iitk.ac.in
[gmx-users] Weird structure after minimization (membrane protein simulation alokjain at iitk.ac.in
[gmx-users] Weird structure after minimization (membrane protein simulation Chris Neale
[gmx-users] Weird structure after minimization (membrane protein simulation) Alok
[gmx-users] Weird structure after minimization (membrane protein simulation) Mark Abraham
[gmx-users] Weird structure after minimization (membrane protein simulation) chris.neale at utoronto.ca
[gmx-users] what is position restrain? Mark Abraham
[gmx-users] Which forcefield should I use? Rui Li
[gmx-users] Which forcefield should I use? Tsjerk Wassenaar
[gmx-users] X.gro file for different solvent system kinshuk at chem.iitb.ac.in
[gmx-users] X.gro file for different solvent system David van der Spoel
[gmx-users] x2top & Library file ffG43a1.n2t David van der Spoel
[gmx-users] x2top & Library file ffG43a1.n2t kinshuk at chem.iitb.ac.in
[gmx-users] Zdock Siavoush Dastmalchi
[gmx-users] Zdock Mark Abraham
回复： Re: [gmx-users] demux.pl xi zhao

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