August 2008 Archives by subject

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Starting: Fri Aug 1 00:56:59 CEST 2008
Ending: Sun Aug 31 23:37:47 CEST 2008
Messages: 620

[gmx-users] #include "ffG45a3.itp" Chih-Ying Lin
[gmx-users] #include "ffG45a3.itp" David van der Spoel
[gmx-users] #include "ffG45a3.itp" Chih-Ying Lin
[gmx-users] #include "ffG45a3.itp" Justin A. Lemkul
[gmx-users] (no subject) Anjelika Gasilina
[gmx-users] (no subject) Tsjerk Wassenaar
[gmx-users] [ atomtypes ] are not case sensitive? Alan
[gmx-users] [ atomtypes ] are not case sensitive? Berk Hess
[gmx-users] RE: [ atomtypes ] are not case sensitive? Alan
[gmx-users] RE: [ atomtypes ] are not case sensitive? Berk Hess
[gmx-users] RE: [ atomtypes ] are not case sensitive? Alan
[Fwd: Re: [gmx-users]build topology file for a molecule define with new residues] Justin A. Lemkul
[Fwd: Re: [gmx-users]build topology file for a molecule define with new residues] cilpa at users.csc.fi
[Fwd: Re: [gmx-users]build topology file for a molecule define with new residues] cilpa at users.csc.fi
[gmx-users] [Fwd: WARNING: Found more than 12 triclinic correction vectors, ignoring some.] Justin A. Lemkul
[gmx-users] A bug of trjconv for force output? LuLanyuan
[gmx-users] A bug of trjconv for force output? Berk Hess
[gmx-users] A fix to eigio.c ? eladp at elaine.tau.ac.il
[gmx-users] a question about the content in atm-pair.out file Cao, Yang
[gmx-users] a question about the content in atm-pair.out file Shay Amram
[gmx-users] about connections ravi sharma
[gmx-users] about how to set the environment variable beibei
[gmx-users] about how to set the environment variable Tsjerk Wassenaar
[gmx-users] about size of group of monomers vs time Rogelio Hernández
[gmx-users] Re: about size of group of monomers vs time Vitaly Chaban
[gmx-users] about size of group of monomers vs time Ran Friedman
[gmx-users] about size of group of monomers vs time Rogelio Hernández
[gmx-users] ACE patch in FFG43a1 priyanka srivastava
[gmx-users] ACE patch in FFG43a1 David van der Spoel
[gmx-users] addition of all hydrogens in pdb2gmx sridhar acharya
[gmx-users] addition of all hydrogens in pdb2gmx Tsjerk Wassenaar
[gmx-users] AFM and g_wham xi zhao
[gmx-users] AFM pulling rate Malin Bergenstråhle
[gmx-users] AFM pulling rate Berk Hess
[gmx-users] AFM pulling: after bond-breakage force does not drop to zero Thomas Schlesier
[gmx-users] AFM pulling: after bond-breakage force does not drop to zero Thomas Schlesier
[gmx-users] all-bonds option serdar durdagi
[gmx-users] AW: all-bonds option serdar durdagi
[gmx-users] amb2gmx for big systems Alan
[gmx-users] AMBER and gromacs atoms renaming Ragnarok sdf
[gmx-users] AMBER and gromacs atoms renaming Shay Amram
[gmx-users] AMBER and gromacs atoms renaming Justin A. Lemkul
[gmx-users] AMBER and gromacs atoms renaming Tsjerk Wassenaar
[gmx-users] AMOEBA in gromacs Grange Hermitage
[gmx-users] analysizing the sam.edo script? Bert de Groot
[gmx-users] analysizing the sam.edo script? xi zhao
[gmx-users] ASP-LIG Interaction Energy : MDRUN nahren manuel
[gmx-users] ASP-LIG Interaction Energy : MDRUN Justin A. Lemkul
[gmx-users] call for help 曹臻
[gmx-users] catastrophic error: "timer not defined" DimitryASuplatov
[gmx-users] catastrophic error: "timer not defined" Berk Hess
[gmx-users] Re: categorization Vitaly Chaban
[gmx-users] Re: categorization Justin A. Lemkul
[gmx-users] cgnr Chih-Ying Lin
[gmx-users] cgnr LuLanyuan
[gmx-users] charge density Sunjoo Lee
[gmx-users] charge density Sunjoo Lee
[gmx-users] charmm and oplsaa simulation results don't match sarbani chattopadhyay
[gmx-users] charmm and oplsaa simulation results don't match Chris Neale
[gmx-users] charmm and oplsaa simulation results don't match Chris Neale
[gmx-users] Re: CHARMM FF Roland Schulz
[gmx-users] CHARMM FF Roland Schulz
[gmx-users] CHARMM FF Nicolas Sapay
[gmx-users] Choose groups for force output Matteus Lindgren
[gmx-users] Cluster Size Distribution Alif M Latif
[gmx-users] Cluster Size Distribution Ran Friedman
[gmx-users] colour of the molecules hhhh huan
[gmx-users] colour of the molecules Florian Haberl
[gmx-users] Re: colour of the molecules Vitaly Chaban
[gmx-users] colour of the molecules Justin A. Lemkul
[gmx-users] colour of the molecules hhhh huan
[gmx-users] colour of the molecules Justin A. Lemkul
[gmx-users] Re: Re: colour of the molecules Vitaly Chaban
[gmx-users] compare 3.3.3 vs 3.99.4 (bit long) spitaleri.andrea at hsr.it
[gmx-users] Corrupt TRR file -- skipping a bad frame? Matt Wyczalkowski
[gmx-users] Corrupt TRR file -- skipping a bad frame? Justin A. Lemkul
[gmx-users] Corrupt TRR file -- skipping a bad frame? Tsjerk Wassenaar
[gmx-users] Corrupt TRR file -- skipping a bad frame? Alan Dodd
[gmx-users] Creating a new topology using OPLSAA Mike Wykes
[gmx-users] debian packages from CVS versions Martin Höfling
[gmx-users] RE: Define proper set of topology parameters for new molecule in different FF. Justin A. Lemkul
[gmx-users] Define proper set of topology parameters for new molecule in different FF. Andrey Frolov
[gmx-users] RE: Define proper set of topology parameters for new molecule in different FF. Vitaly Chaban
[gmx-users] RE: Define proper set of topology parameters for new molecule in different FF. Andrey Frolov
[gmx-users] RE[4]: Define proper set of topology parameters for new molecule in different FF. Vitaly Chaban
[gmx-users] Determining temperature from velocities Andy Shelley
[gmx-users] Dielectric constant avinash kumar
[gmx-users] Dielectric constant Berk Hess
[gmx-users] Dielectric constant avinash kumar
[gmx-users] Dielectric constant Berk Hess
[gmx-users] Differences in version 3.0 and 3.3 Cheong Wee Loong, Daniel
[gmx-users] Differences in version 3.0 and 3.3 chris.neale at utoronto.ca
[gmx-users] Different results with and without constraints for pr coupling. David van der Spoel
[gmx-users] Different results with and without constraints for pr coupling. A.Rzepiela
[gmx-users] dihedral potential OPLSAA force field David Huang
[gmx-users] dihedral potential OPLSAA force field (correction) David Huang
[gmx-users] dimerization problem Tsjerk Wassenaar
[gmx-users] Disappear my solution Morteza Khabiri
[gmx-users] Disappear my solution Justin A. Lemkul
[gmx-users] Disappear my solution Morteza Khabiri
[gmx-users] Disappear my solution Justin A. Lemkul
[gmx-users] Disappear my solution Morteza Khabiri
[gmx-users] Disappear my solution Justin A. Lemkul
[gmx-users] Disappear my solution Morteza Khabiri
[gmx-users] Disappear my solution Justin A. Lemkul
[gmx-users] dmso/peptide simulation prasun kumar
[gmx-users] dmso/peptide simulation prasun kumar
[gmx-users] dmso/peptide simulation Justin A. Lemkul
[gmx-users] dmso/peptide simulation Anil Kumar
[gmx-users] do_dssp minnale
[gmx-users] do_dssp Justin A. Lemkul
[gmx-users] do_dssp Justin A. Lemkul
[gmx-users] do_dssp minnale
[gmx-users] do_dssp Justin A. Lemkul
[gmx-users] do_dssp Nuno Azoia
[gmx-users] Re: Empty trr file Vitaly Chaban
[gmx-users] Empty trr file !!?? ranqi zhu
[gmx-users] Empty trr file !!?? Justin A. Lemkul
[gmx-users] Re: Energy minimization output alkasrivastava at iitb.ac.in
[gmx-users] Re: Energy minimization output Kukol, Andreas
[gmx-users] Re: Energy minimization output Justin A. Lemkul
[gmx-users] ensuring that compilation used gcc 3.x Chris Neale
[gmx-users] re: ensuring that compilation used gcc 3.x David Chan
[gmx-users] ensuring that compilation used gcc 3.x Chris Neale
[gmx-users] error comm-grps=Protein SOL M. Emal Alekozai
[gmx-users] error comm-grps=Protein SOL Justin A. Lemkul
[gmx-users] error comm-grps=Protein SOL M. Emal Alekozai
[gmx-users] error comm-grps=Protein SOL Justin A. Lemkul
[gmx-users] error ffg53a shahrbanoo karbalaee
[gmx-users] error ffg53a Justin A. Lemkul
[gmx-users] error ffg53a and thanks shahrbanoo karbalaee
[gmx-users] error ffg53a5 shahrbanoo karbalaee
[gmx-users] error ffg53a5 Justin A. Lemkul
[gmx-users] Error in pdb2gmx vivek sharma
[gmx-users] Error in pdb2gmx David van der Spoel
[gmx-users] Error in pdb2gmx vivek sharma
[gmx-users] Error in pdb2gmx David van der Spoel
[gmx-users] Error in pdb2gmx vivek sharma
[gmx-users] Error in pdb2gmx Justin A. Lemkul
[gmx-users] Error in pdb2gmx Tsjerk Wassenaar
[gmx-users] Error in pdb2gmx vivek sharma
[gmx-users] Error in pdb2gmx Tsjerk Wassenaar
[gmx-users] Error in pdb2gmx Tsjerk Wassenaar
[gmx-users] Error in pdb2gmx.....Atom CE2 not found in residue PHE270 while adding hydrogens vivek sharma
[gmx-users] Error in pdb2gmx.....Atom CE2 not found in residue PHE270 while adding hydrogens David van der Spoel
[gmx-users] Error in pdb2gmx.....Atom CE2 not found in residue PHE270 while adding hydrogens Justin A. Lemkul
[gmx-users] Error in pdb2gmx.....Atom CE2 not found in residue PHE270 while adding hydrogens vivek sharma
[gmx-users] Error in pdb2gmx.....Atom CE2 not found in residue PHE270 while adding hydrogens Per Larsson
[gmx-users] Error in pdb2gmx.....Atom CE2 not found in residue PHE270 while adding hydrogens nahren manuel
[gmx-users] Error in pdb2gmx.....Atom CE2 not found in residue PHE270 while adding hydrogens vivek sharma
[gmx-users] Error in pdb2gmx.....Atom CE2 not found in residue PHE270 while adding hydrogens vivek sharma
[gmx-users] Error in pdb2gmx.....Atom CE2 not found in residue PHE270 while adding hydrogens Justin A. Lemkul
[gmx-users] Error in pdb2gmx.....Atom CE2 not found in residue PHE270 while adding hydrogens vivek sharma
[gmx-users] Error in pdb2gmx.....Atom CE2 not found in residue PHE270 while adding hydrogens Justin A. Lemkul
[gmx-users] Error in pdb2gmx.....Atom CE2 not found in residue PHE270 while adding hydrogens Justin A. Lemkul
[gmx-users] Error in trjconv M.Parthiban
[gmx-users] Error in trjconv Tsjerk Wassenaar
[gmx-users] Re:Error in trjconv Tsjerk Wassenaar
[gmx-users] Error in trjconv M.Parthiban
[gmx-users] Error in trjconv Tsjerk Wassenaar
[gmx-users] Re:Error in trjconv M.Parthiban
[gmx-users] Error while running gromacs in parellel vivek sharma
[gmx-users] Error with LINC warning vivek sharma
[gmx-users] Error with LINC warning Justin A. Lemkul
[gmx-users] error: 1 particles communicated to PME node 3 (...) Rebeca García Fandiño
[gmx-users] error: 1 particles communicated to PME node 3 (...) Justin A. Lemkul
[gmx-users] error: 1 particles communicated to PME node 3 (...) Berk Hess
[gmx-users] FENE potential (Finitely extensible Nonlinear elastic model) avinash kumar
[gmx-users] FENE potential (Finitely extensible Nonlinear elastic model) David van der Spoel
[gmx-users] ffg53a5 shahrbanoo karbalaee
[gmx-users] ffg53a5 Tsjerk Wassenaar
[gmx-users] ffg53a5 Justin A. Lemkul
[gmx-users] FFTW & Gromacs installation on AIX 5.3 Senthil Kumar M
[gmx-users] FFTW & Gromacs installation on AIX 5.3 Justin A. Lemkul
[gmx-users] FFTW & Gromacs installation on AIX 5.3 Dimitris Dellis
[gmx-users] FFTW & Gromacs installation on AIX 5.3 chris.neale at utoronto.ca
[gmx-users] flexible organic solvents Sascha Rehm
[gmx-users] flexible organic solvents Kukol, Andreas
[gmx-users] flexible organic solvents patrick fuchs
[gmx-users] Force Distance Curve from .trr .xtc VENKATESH HARIHARAN
[gmx-users] force feield paremeters for magnesium Mahnam
[gmx-users] force feield paremeters for magnesium Justin A. Lemkul
[gmx-users] Force Field Parameters Nitrogen and Oxygen Andy Shelley
[gmx-users] Force Field Parameters Nitrogen and Oxygen Justin A. Lemkul
[gmx-users] Re: Force Field Parameters Nitrogen and Oxygen Vitaly Chaban
FW: [gmx-users] charmm and oplsaa simulation results don't match Berk Hess
FW: [gmx-users] charmm and oplsaa simulation results don't match sarbani chattopadhyay
FW: [gmx-users] Re: Simulations backward in time Berk Hess
[gmx-users] Fwd: membrane simulations with gromacs chris.neale at utoronto.ca
[gmx-users] Fwd: plotting the displacement of each C-alpha along first eigenvector having largest eigenvalue Tsjerk Wassenaar
[gmx-users] g_angle , g_bond distribution Chih-Ying Lin
[gmx-users] g_covar with correlation matrix Ran Friedman
[gmx-users] g_energy Chih-Ying Lin
[gmx-users] g_energy Justin A. Lemkul
[gmx-users] g_hbond + invalid command line argument -g minnale
[gmx-users] g_hbond + invalid command line argument -g Justin A. Lemkul
[gmx-users] g_hbond + invalid command line argument -g minnale
[gmx-users] g_hbond + invalid command line argument -g minnale
[gmx-users] g_hbond + invalid command line argument -g Justin A. Lemkul
[gmx-users] g_hbond + invalid command line argument -g minnale
[gmx-users] g_hbond + invalid command line argument -g David van der Spoel
[gmx-users] Re: g_hbond in version 3.4.1 vs rest (Especially higher one) Justin A. Lemkul
[gmx-users] g_hbond output analysis parthiban at ncbs.res.in
[gmx-users] g_hbond output analysis Florian Haberl
[gmx-users] g_hbond output analysis parthiban at ncbs.res.in
[gmx-users] g_hbond output analysis David van der Spoel
[gmx-users] Re:g_mindist option alkasrivastava at iitb.ac.in
[gmx-users] Re:g_mindist option Justin A. Lemkul
[gmx-users] Re: Re:Re:g_mindist option alkasrivastava at iitb.ac.in
[gmx-users] Re: Re:Re:g_mindist option Tsjerk Wassenaar
[gmx-users] RE: g_mindist option van Bemmelen
[gmx-users] g_msd ram ram
[gmx-users] g_msd Xavier Periole
[gmx-users] Re: g_msd Vitaly Chaban
[gmx-users] G_RMS for different simulations Ricardo Soares
[gmx-users] G_RMS for different simulations Ricardo Soares
[gmx-users] g_rotacf rams rams
[gmx-users] g_rotacf rams rams
[gmx-users] G_SDF if reference atoms are in different residues Hawtin R.
[gmx-users] G_SDF if reference atoms are in different residues chris.neale at utoronto.ca
[gmx-users] g_sgangle Chih-Ying Lin
[gmx-users] g_sgangle Justin A. Lemkul
[gmx-users] g_velacc rams rams
[gmx-users] g_velacc David van der Spoel
[gmx-users] Re: g_velacc Vitaly Chaban
[gmx-users] Re: g_velacc rams rams
[gmx-users] Re: g_velacc Florian Dommert
[gmx-users] Re: g_velacc David van der Spoel
[gmx-users] Re: g_velacc Vitaly Chaban
[gmx-users] Re: g_velacc rams rams
[gmx-users] Re: g_velacc Vitaly Chaban
[gmx-users] g_velacc. Reading frame 165000 time 825.000 Killed Vitaly Chaban
[gmx-users] g_velacc. Reading frame 165000 time 825.000 Killed David van der Spoel
[gmx-users] g_velacc. Reading frame 165000 time 825.000 Killed Vitaly Chaban
[gmx-users] genbox and triclinic boxes. Problem an workaround. Jochen Hub
[gmx-users] generating conf.gro Vitaly Chaban
[gmx-users] generating conf.gro Tsjerk Wassenaar
[gmx-users] generating conf.gro Vitaly Chaban
[gmx-users] Genion failing in parallel runs. Bhanu
[gmx-users] Genion failing in parallel runs. Justin A. Lemkul
[gmx-users] Genion failing in parallel runs. Florian Haberl
[gmx-users] gmx does not recognize HIE as protein Rebeca García Fandiño
[gmx-users] gmx does not recognize HIE as protein Tsjerk Wassenaar
[gmx-users] Re: gmx-users Digest, Vol 51, Issue 116 Alan
[gmx-users] Re: gmx-users Digest, Vol 52, Issue 97 (Justin A. Lemkul) Justin A. Lemkul
[gmx-users] Re: gmx-users Digest, Vol 52, Issue 97 (Justin A. Lemkul) Ragnarok sdf
[gmx-users] Re: gmx-users Digest, Vol 52, Issue 109 Ragnarok sdf
[gmx-users] Re: gmx-users Digest, Vol 52, Issue 109 Justin A. Lemkul
[gmx-users] Re: gmx-users Digest, Vol 52, Issue 118 minnale
[gmx-users] Re: gmx-users Digest, Vol 52, Issue 118 Justin A. Lemkul
[gmx-users] Re: gmx-users Digest, Vol 52, Issue 5 minnale
[gmx-users] Re: gmx-users Digest, Vol 52, Issue 61 Vitaly Chaban
[gmx-users] Re: gmx-users Digest, Vol 52, Issue 66 minnale
[gmx-users] Re: gmx-users Digest, Vol 52, Issue 66 Justin A. Lemkul
[gmx-users] Re: gmx-users Digest, Vol 52, Issue 66 Tsjerk Wassenaar
[gmx-users] Re: gmx-users Digest, Vol 52, Issue 77 M.Parthiban
[gmx-users] Re: gmx-users Digest, Vol 52, Issue 78 Vitaly Chaban
[gmx-users] Re: gmx-users Digest, Vol 52, Issue 89 Vitaly Chaban
[gmx-users] Re: gmx-users Digest, Vol 52, Issue 96 Ragnarok sdf
[gmx-users] Re: gmx-users Digest, Vol 52, Issue 96 Justin A. Lemkul
[gmx-users] Re: gmx-users Digest, Vol 52, Issue 97 Ragnarok sdf
[gmx-users] Re: gmx-users Digest, Vol 52, Issue 97 Justin A. Lemkul
[gmx-users] Re: gmx-users Digest, Vol 52, Issue 97 Ragnarok sdf
[gmx-users] Re: gmx-users Digest, Vol 52, Issue 97 Justin A. Lemkul
[gmx-users] gromos function type assigned by grompp Romelia Salomon
[gmx-users] gromos function type assigned by grompp Justin A. Lemkul
[gmx-users] gromos function type assigned by grompp Romelia Salomon
[gmx-users] gromos function type assigned by grompp Justin A. Lemkul
[gmx-users] gromos function type assigned by grompp Romelia Salomon
[gmx-users] gromos function type assigned by grompp Justin A. Lemkul
[gmx-users] gromos function type assigned by grompp Romelia Salomon
[gmx-users] grompp and box size prasun kumar
[gmx-users] grompp and box size Justin A. Lemkul
[gmx-users] RE: grompp and box size Vitaly Chaban
[gmx-users] RE: grompp and box size Tsjerk Wassenaar
[gmx-users] RE: grompp and box size Vitaly Chaban
[gmx-users] groups to write to trr Vitaly Chaban
[gmx-users] groups to write to trr Shay Amram
[gmx-users] groups to write to trr Justin A. Lemkul
[gmx-users] groups to write to trr Vitaly Chaban
[gmx-users] Re: groups to write to trr Vitaly Chaban
[gmx-users] Re: groups to write to trr Justin A. Lemkul
[gmx-users] Re: groups to write to trr Tsjerk Wassenaar
[gmx-users] heat_capacity_&_viscosity Sang-Min Park
[gmx-users] Re: Help Justin A. Lemkul
[gmx-users] Re: Help Justin A. Lemkul
[gmx-users] Help - No default Bond types dna Ragnarok sdf
[gmx-users] Help - No default Bond types dna Justin A. Lemkul
[gmx-users] Help with grompp with amber99 forcefield Ragnarok sdf
[gmx-users] Help with grompp with amber99 forcefield Justin A. Lemkul
[gmx-users] HELP::Running Gromacs in parellel vivek sharma
[gmx-users] HELP::Running Gromacs in parellel Justin A. Lemkul
[gmx-users] how long simulation takes to get stable when constrains is none in mdp file? David van der Spoel
[gmx-users] how long simulation takes to get stable when constrains is none in mdp file? Tsjerk Wassenaar
[gmx-users] how long simulation takes to get stable when constrains is none in mdp file? wang kelvin
[gmx-users] RE: how long simulation takes to get stable when constrains is none in mdp file? Vitaly Chaban
[gmx-users] how long simulation takes to get stable when constrains is none in mdp file? wang kelvin
[gmx-users] How to calculate van der Waals potential between a given residue and the rest of residues in the protein? Justin A. Lemkul
[gmx-users] How to calculate van der Waals potential between a given residue and the rest of residues in the protein? Limei Zhang
[gmx-users] how to define small in RMSD Ross KK Leung
[gmx-users] How to display simulation box in VMD? Suman Chakrabarty
[gmx-users] How to display simulation box in VMD? Nicolas Sapay
[gmx-users] how to extend 1ns Unfolding simulation to 6ns Justin A. Lemkul
[gmx-users] RE: how to extend 1ns Unfolding simulation to 6ns Vitaly Chaban
[gmx-users] how to extend 1ns Unfolding simulation to 6ns ravi sharma
[gmx-users] how to fix a position in the single eigenvector in essential dynamics sampling? Bert de Groot
[gmx-users] how to fix a position in the single eigenvector in essential dynamics sampling? xi zhao
[gmx-users] how to fix the center of mass of the protein in the pull simulation xi zhao
[gmx-users] how to fix the COM of group in the pull. xi zhao
[gmx-users] RE: how to fix the COM of group in the pull. Vitaly Chaban
[gmx-users] How to use g_energy after parellal mdrun vivek sharma
[gmx-users] How to use g_energy after parellal mdrun Jochen Hub
[gmx-users] How to use g_energy after parellal mdrun vivek sharma
[gmx-users] How to use g_energy after parellal mdrun Jochen Hub
[gmx-users] Imposing distance restraints between two plmallip at mail.uh.edu
[gmx-users] Imposing distance restraints between two Grange Hermitage
[gmx-users] Imposing distance restraints between two residues plmallip at mail.uh.edu
[gmx-users] Imposing distance restraints between two residues plmallip at mail.uh.edu
[gmx-users] Imposing distance restraints between two residues Justin A. Lemkul
[gmx-users] invalid number of nodes Rebeca García Fandiño
[gmx-users] invalid number of nodes Carsten Kutzner
[gmx-users] invalid number of nodes Berk Hess
[gmx-users] invalid number of nodes Rebeca García Fandiño
[gmx-users] invalid number of nodes Berk Hess
[gmx-users] invalid number of nodes Carsten Kutzner
[gmx-users] invalid number of nodes Berk Hess
[gmx-users] Keeping portions of a protein fixed during energy minimization and MD simulations shyamala iyer
[gmx-users] Keeping portions of a protein fixed during energy minimization and MD simulations Justin A. Lemkul
[gmx-users] LINCS error sarbani chattopadhyay
[gmx-users] LINCS error Justin A. Lemkul
[gmx-users] LINCS warning serdar durdagi
[gmx-users] LINCS warning Justin A. Lemkul
[gmx-users] LJ question Anthony Cruz
[gmx-users] LJ question David van der Spoel
[gmx-users] LJ question Anthony Cruz
[gmx-users] LJ question David van der Spoel
[gmx-users] M*tif installation Ross KK Leung
[gmx-users] M*tif installation Justin A. Lemkul
[gmx-users] M*tif installation Ross KK Leung
[gmx-users] M*tif installation Justin A. Lemkul
[gmx-users] M*tif installation Florian Haberl
[gmx-users] M*tif installation Tsjerk Wassenaar
[gmx-users] Re: M*tif installation Vitaly Chaban
[gmx-users] M*tif installation Suman Chakrabarty
[gmx-users] Mailman CGI error!!! The Mailman CGI wrapper encountered a fatal error. This entry is being stored in your syslog: Group mismatch error. Mailman expected the CGI wrapper script to be executed as group "nobody", but the system's web server executed the CGI script as group "apache". Try tweaking the web server to run the script as group "nobody", or re-run configure, providing the command line option `--with-cgi-gid=apache'. Brian Wengerter
[gmx-users] mdrun failing with error message "reading tpx file (em.tpr) version 40 with version 31 program" Anjelika Gasilina
[gmx-users] MDRUN with MPIRUN vivek sharma
[gmx-users] MDRUN with MPIRUN Kukol, Andreas
[gmx-users] MDRUN with MPIRUN vivek sharma
[gmx-users] membrane with OPLS force field Rebeca García Fandiño
[gmx-users] membrane with OPLS force field Justin A. Lemkul
[gmx-users] membrane with OPLS force field Chris Neale
[gmx-users] membrane with OPLS force field Rebeca García Fandiño
[gmx-users] membrane with OPLS force field Chris Neale
[gmx-users] membrane with OPLS force field Volker Wirth
[gmx-users] membrane with OPLS force field Justin A. Lemkul
[gmx-users] membrane with OPLS force field Volker Wirth
[gmx-users] membrane with OPLS force field Justin A. Lemkul
[gmx-users] mistake!! sarbani chattopadhyay
[gmx-users] mistake!! Justin A. Lemkul
[gmx-users] more than one drug in lipid? serdar durdagi
[gmx-users] more than one drug in lipid? Justin A. Lemkul
[gmx-users] Multiple ppa files from a single parallel mdrun_mpi job chris.neale at utoronto.ca
[gmx-users] nature of gromacs / gcc-4.x problem chris.neale at utoronto.ca
[gmx-users] nature of gromacs / gcc-4.x problem David van der Spoel
[gmx-users] nature of gromacs / gcc-4.x problem chris.neale at utoronto.ca
[gmx-users] New Gromacs-CPMD QMMM webpage Pradip Biswas
[gmx-users] New Gromacs-CPMD QMMM webpage vidhya sankar
[gmx-users] Re: New Gromacs-CPMD QMMM webpage Vitaly Chaban
[gmx-users] New Gromacs-CPMD QMMM webpage Pradip Biswas
[gmx-users] Normal Mode Analysis in Double-Precision Inon Sharony
[gmx-users] Normal Mode Analysis in Double-Precision Ran Friedman
[gmx-users] Normal Mode Analysis in Double-Precision Inon Sharony
[gmx-users] Normal Mode Analysis in Double-Precision Ran Friedman
[gmx-users] Normal Mode Analysis in Double-Precision Inon Sharony
[gmx-users] Normal Mode Analysis in Double-Precision Ran Friedman
[gmx-users] Normal Mode Analysis in Double-Precision Inon Sharony
[gmx-users] Normal Mode Analysis in Double-Precision Ran Friedman
[gmx-users] Normal Mode Analysis in Double-Precision Inon Sharony
[gmx-users] Normal Mode Analysis in Double-Precision Ran Friedman
[gmx-users] not running on higher no of nodes Anupam Nath Jha
[gmx-users] NPT restarts without .edr, can the simulations be used anyway? Justin A. Lemkul
[gmx-users] NPT restarts without .edr, can the simulations be used anyway? Matteus Lindgren
[gmx-users] OCP simulations Argyrios Karatrantos
[gmx-users] one component plasma simulations (OCP) Argyrios Karatrantos
[gmx-users] one component plasma simulations (OCP) David van der Spoel
[gmx-users] Order parameters of lipid Justin A. Lemkul
[gmx-users] Order parameters of lipid Alan Dodd
[gmx-users] Order parameters of lipid Justin A. Lemkul
[gmx-users] Out of office AutoReply charloteaux.b
[gmx-users] Out of office AutoReply charloteaux.b
[gmx-users] Out of office AutoReply charloteaux.b
[gmx-users] Out of office AutoReply charloteaux.b
[gmx-users] Out of office AutoReply charloteaux.b
[gmx-users] Out of office AutoReply charloteaux.b
[gmx-users] Out of office AutoReply charloteaux.b
[gmx-users] Out of office AutoReply charloteaux.b
[gmx-users] Out of office AutoReply charloteaux.b
[gmx-users] Out of office AutoReply charloteaux.b
[gmx-users] Out of office AutoReply charloteaux.b
[gmx-users] Out of office AutoReply charloteaux.b
[gmx-users] parameters for protonated nitrogen Samuel Coulbourn Flores 花山
[gmx-users] pdb file ??? Chih-Ying Lin
[gmx-users] pdb file ??? Tsjerk Wassenaar
[gmx-users] pdb2gmx -inter automatised ? Christian Fufezan
[gmx-users] pdb2gmx -inter automatised ? Justin A. Lemkul
[gmx-users] pdb2gmx -inter automatised ? Christian Fufezan
[gmx-users] pdb2gmx -inter automatised ? Tsjerk Wassenaar
[gmx-users] peptide translation priyanka srivastava
[gmx-users] Please help: POPC membrane simulation mahesh kulharia
[gmx-users] Please help: POPC membrane simulation Justin A. Lemkul
[gmx-users] Please help: POPC membrane simulation Florian Haberl
[gmx-users] Re: plotting the displacement of each C-alpha along first eigenvector having largest eigenvalue Tsjerk Wassenaar
[gmx-users] Re: plotting the displacement of each C-alpha along first eigenvector having largest eigenvalue Bert de Groot
[gmx-users] Position restraints on a pentamer plmallip at mail.uh.edu
[gmx-users] Position restraints on a pentamer plmallip at mail.uh.edu
[gmx-users] Position restraints on a pentamer Justin A. Lemkul
[gmx-users] Pressure coupling Matteus Lindgren
[gmx-users] PROBLEM : rdf O-H of water from tutorial niharendu choudhury
[gmx-users] PROBLEM : rdf O-H of water from tutorial David van der Spoel
[gmx-users] problem with parallelization on a dual quad-core machine Hongxian He
[gmx-users] problem with protein secondary structure analysis minnale
[gmx-users] problem with protein secondary structure analysis minnale
[gmx-users] problem with protein secondary structure analysis Justin A. Lemkul
[gmx-users] problem with protein secondary structure analysis minnale
[gmx-users] problem with protein secondary structure analysis Tsjerk Wassenaar
[gmx-users] problem with protein secondary structure analysis minnale
[gmx-users] problem with protein secondary structure analysis minnale
[gmx-users] problem with protein secondary structure analysis Shay Amram
[gmx-users] problem with protein secondary structure analysis Justin A. Lemkul
[gmx-users] problems creating mixed solvent systems Ted Fischer
[gmx-users] problems creating mixed solvent systems Justin A. Lemkul
[gmx-users] problems creating mixed solvent systems Ted Fischer
[gmx-users] Problems extending a calculation (in steps and Benchmark) Justin A. Lemkul
[gmx-users] Problems extending a calculation (in steps and Benchmark) Rebeca García Fandiño
[gmx-users] Problems with parallelisation of GROMACS on a Mac Pro (OS X) Carsten Kutzner
[gmx-users] Problems with parallelisation of GROMACS on a Mac Pro (OS X) Steffen Wolf
[gmx-users] Problems with parallelisation of GROMACS on a Mac Pro (OS X) Roland Schulz
[gmx-users] Problems with parallelisation of GROMACS on a Mac Pro (OS X) Alan
[gmx-users] problems with PBC in editconf Rebeca García Fandiño
[gmx-users] problems with PBC in editconf Justin A. Lemkul
[gmx-users] protein/dmso simulation prasun kumar
[gmx-users] protein/dmso simulation Justin A. Lemkul
[gmx-users] protein/dmso simulation Bhanu
[gmx-users] Re: protein/dmso simulation Vitaly Chaban
[gmx-users] pull.pdo and AFM force xi zhao
[gmx-users] Re: Putting more than one peptide alkasrivastava at iitb.ac.in
[gmx-users] Re: Putting more than one peptide Justin A. Lemkul
[gmx-users] Re: Putting more than one peptide Vitaly Chaban
[gmx-users] Re: Putting more than one peptide Sheyore Omovie
[gmx-users] QMMM ha salem
[gmx-users] QMMM Pradip Biswas
[gmx-users] quantum chemistry to gromacs topology approaches Grange Hermitage
[gmx-users] query about essential dynamics sangeeta kundu
[gmx-users] Question about octahedral boxes Justin A. Lemkul
[gmx-users] Re: Question about octahedral boxes (solved) Justin A. Lemkul
[gmx-users] Questions about brownian/langevin dynamics of bead-spring polymers Suman Chakrabarty
[gmx-users] rb1 test failed after recompiling gromacs 3.3.2 Nicolas Sapay
[gmx-users] rb1 test failed after recompiling gromacs 3.3.2 Nicolas Sapay
[gmx-users] rb1 test failed after recompiling gromacs 3.3.2 Justin A. Lemkul
[gmx-users] rb1 test failed after recompiling gromacs 3.3.2 Nicolas Sapay
[gmx-users] rdf O-H of water from tutorial Vitaly Chaban
[gmx-users] regarding 2002 post showing protein unfolding with long timesteps David van der Spoel
[gmx-users] regarding 2002 post showing protein unfolding with long timesteps chris.neale at utoronto.ca
[gmx-users] regarding grompp warning prasun kumar
[gmx-users] regarding grompp warning Justin A. Lemkul
[gmx-users] REMD trjcat -demux problem Di Pan
[gmx-users] REMD trjcat -demux problem David van der Spoel
[gmx-users] remove center of mass motion M. Emal Alekozai
[gmx-users] remove center of mass motion Justin A. Lemkul
[gmx-users] requested for GROMACS package shiny chandy
[gmx-users] requested for GROMACS package Justin A. Lemkul
[gmx-users] Re: requested for GROMACS package Vitaly Chaban
[gmx-users] Re: requested for GROMACS package Justin A. Lemkul
[gmx-users] Residue specific secondary structure analysis Biswaranjan Meher
[gmx-users] Residue specific secondary structure analysis Justin A. Lemkul
[gmx-users] RMSD between jayant james
[gmx-users] RMSD between David van der Spoel
[gmx-users] Run test in parallel ikedaike
[gmx-users] Run test in parallel Yang Ye
[gmx-users] Run test in parallel ikedaike
[gmx-users] Run test in parallel Yang Ye
[gmx-users] Run test in parallel ikedaike
[gmx-users] Salt molecule - ion bond Chih-Ying Lin
[gmx-users] Re: Salt molecule - ion bond Vitaly Chaban
[gmx-users] Salt molecule - ion bond Justin A. Lemkul
[gmx-users] segmentation fault in g_anaeig Inon Sharony
[gmx-users] segmentation fault in g_anaeig Tsjerk Wassenaar
[gmx-users] segmentation fault in g_anaeig Inon Sharony
[gmx-users] simulating with air Andy Shelley
[gmx-users] simulating with air Justin A. Lemkul
[gmx-users] RE: simulating with air Vitaly Chaban
[gmx-users] Re: simulating with air Vitaly Chaban
[gmx-users] Re: simulating with air Andy Shelley
[gmx-users] Re: simulating with air Vitaly Chaban
[gmx-users] Re: simulating with air Andy Shelley
[gmx-users] Re: simulating with air Vitaly Chaban
[gmx-users] simulation problems baloilgiullare
[gmx-users] Re: Simulations backward in time Vitaly Chaban
[gmx-users] Re: Simulations backward in time David van der Spoel
[gmx-users] Re: Simulations backward in time Jochen Hub
[gmx-users] Re: Simulations backward in time Vitaly Chaban
[gmx-users] Re: Simulations backward in time Vitaly Chaban
[gmx-users] Re: Simulations backward in time Vitaly Chaban
[gmx-users] simulations backward in time Sumanth Jamadagni
[gmx-users] simulations backward in time Jussi Lehtola
[gmx-users] Simulations backward in time. Sumanth Jamadagni
[gmx-users] Simulations backward in time. David van der Spoel
[gmx-users] single-precision *.tpr data after a double-precision run Ran Friedman
[gmx-users] single-precision *.tpr data after a double-precision run Inon Sharony
[gmx-users] single-precision *.tpr data after a double-precision run Ran Friedman
[gmx-users] single-precision *.tpr data after a double-precision run Inon Sharony
[gmx-users] single-precision *.tpr data after a double-precision run Ran Friedman
[gmx-users] single-precision *.tpr data after a double-precision run David Osguthorpe
[gmx-users] single-precision *.tpr data after a double-precision run Inon Sharony
[gmx-users] Some Issues on Substrates/PBC Michael Hirtz
[gmx-users] Some Issues on Substrates/PBC André Farias de Moura
[gmx-users] Some Issues on Substrates/PBC Justin A. Lemkul
[gmx-users] Some Issues on Substrates/PBC Michael Hirtz
[gmx-users] Some Issues on Substrates/PBC Michael Hirtz
[gmx-users] Some Issues on Substrates/PBC Justin A. Lemkul
[gmx-users] some questions about gmx_density.c beibei
[gmx-users] some questions about gmx_density.c Yang Ye
[gmx-users] table force-field Alexandr Malafeev
[gmx-users] table force-field Justin A. Lemkul
[gmx-users] table force-field Alexandr Malafeev
[gmx-users] table force-field Justin A. Lemkul
[gmx-users] table force-field Alexandr Malafeev
[gmx-users] table force-field Justin A. Lemkul
[gmx-users] table force-field Alexandr Malafeev
[gmx-users] temperature coupling for complex+ligand+water+ions Alan
[gmx-users] temperature coupling for complex+ligand+water+ions Justin A. Lemkul
[gmx-users] Re: temperature coupling for complex+ligand+water+ions Alan
[gmx-users] Re: temperature coupling for complex+ligand+water+ions Justin A. Lemkul
[gmx-users] Testing Justin A. Lemkul
[gmx-users] Testing chris.neale at utoronto.ca
[gmx-users] Testing David Chan
[gmx-users] Testing David van der Spoel
[gmx-users] Testing chris.neale at utoronto.ca
[gmx-users] Testing David van der Spoel
[gmx-users] Testing Roland Schulz
[gmx-users] Testing (was: Tyrosine problems again) David van der Spoel
[gmx-users] Testing (was: Tyrosine problems again) Roland Schulz
[gmx-users] Testing (was: Tyrosine problems again) dichan at ucalgary.ca
[gmx-users] Testing (was: Tyrosine problems again) David van der Spoel
[gmx-users] tfe shahrbanoo karbalaee
[gmx-users] tfe Justin A. Lemkul
[gmx-users] tfe shahrbanoo karbalaee
[gmx-users] tfe Justin A. Lemkul
[gmx-users] tfe shahrbanoo karbalaee
[gmx-users] tfe Justin A. Lemkul
[gmx-users] tfe shahrbanoo karbalaee
[gmx-users] tfe Justin A. Lemkul
[gmx-users] tfe shahrbanoo karbalaee
[gmx-users] tfe Justin A. Lemkul
[gmx-users] tfe shahrbanoo karbalaee
[gmx-users] tfe Justin A. Lemkul
[gmx-users] tfe shahrbanoo karbalaee
[gmx-users] tfe Justin A. Lemkul
[gmx-users] tfe and gromos9653a shahrbanoo karbalaee
[gmx-users] tfe and gromos9653a Justin A. Lemkul
[gmx-users] tfe.itp shahrbanoo karbalaee
[gmx-users] tfe.itp Justin A. Lemkul
[gmx-users] tfe.itp shahrbanoo karbalaee
[gmx-users] Re: tfe.itp Vitaly Chaban
[gmx-users] The molecular structure Chih-Ying Lin
[gmx-users] The molecular structure Justin A. Lemkul
[gmx-users] The WARNING Chih-Ying Lin
[gmx-users] The WARNING David van der Spoel
[gmx-users] Re: The WARNING Vitaly Chaban
[gmx-users] Re: The WARNING Tsjerk Wassenaar
[gmx-users] Re: The WARNING Vitaly Chaban
[gmx-users] The WARNING Chih-Ying Lin
[gmx-users] Re: The WARNING Tsjerk Wassenaar
[gmx-users] Re: The WARNING Vitaly Chaban
[gmx-users] top file definitions_1 rosip at qb.ffyb.uba.ar
[gmx-users] top file definitions_1 Justin A. Lemkul
[gmx-users] topology for Amyloid beta peptide ffavela at fis.cinvestav.mx
[gmx-users] translation priyanka srivastava
[gmx-users] translation Justin A. Lemkul
[gmx-users] translation priyanka srivastava
[gmx-users] translation Justin A. Lemkul
[gmx-users] translation priyanka srivastava
[gmx-users] trjconv error parthiban at ncbs.res.in
[gmx-users] trjconv error Tsjerk Wassenaar
[gmx-users] trjconv error parthiban at ncbs.res.in
[gmx-users] trjconv error Tsjerk Wassenaar
[gmx-users] Re: trjconv error Tsjerk Wassenaar
[gmx-users] Re: trjconv error parthiban at ncbs.res.in
[gmx-users] Tyrosine problems again chris.neale at utoronto.ca
[gmx-users] Tyrosine problems again chris.neale at utoronto.ca
[gmx-users] Umbrella Sampling Alexandr Malafeev
[gmx-users] RE: Umbrella Sampling Vitaly Chaban
[gmx-users] Re: Umbrella Sampling Alexandr Malafeev
[gmx-users] using gromacs for protein site-mutagenesis study Ross KK Leung
[gmx-users] using gromacs for protein site-mutagenesis study Justin A. Lemkul
[gmx-users] Using Morse potentials with ENCAD force field Andy Shelley
[gmx-users] Using Morse potentials with ENCAD force field David van der Spoel
[gmx-users] Using Morse potentials with ENCAD force field Andy Shelley
[gmx-users] Re: Using Morse potentials with ENCAD force field Vitaly Chaban
[gmx-users] Re: Using Morse potentials with ENCAD force field Vitaly Chaban
[gmx-users] Re: Using Morse potentials with ENCAD force field Andy Shelley
[gmx-users] Re: Using Morse potentials with ENCAD force field Vitaly Chaban
[gmx-users] Re[2]: Using Morse potentials with ENCAD force field Vitaly Chaban
[gmx-users] Re[2]: Using Morse potentials with ENCAD force field Justin A. Lemkul
[gmx-users] Vacuum Simulation Alanine Dipeptide =>minimisation: ERROR "No default Ryckaert-Bell. types" M. Emal Alekozai
[gmx-users] Vacuum Simulation Alanine Dipeptide =>minimisation: ERROR "No default Ryckaert-Bell. types" Chris Neale
[gmx-users] Vacuum Simulation Alanine Dipeptide =>minimisation: ERROR "No default Ryckaert-Bell. types" M. Emal Alekozai
[gmx-users] Vacuum Simulation of Alanine Dipeptide =>production run M. Emal Alekozai
[gmx-users] Visualizing gromacs result vivek sharma
[gmx-users] Visualizing gromacs result Jochen Hub
[gmx-users] Warnings while grompp_d vivek sharma
[gmx-users] Warnings while grompp_d Jochen Hub
[gmx-users] water tip3p Alan
[gmx-users] when gen_vel should be "no" sarbani chattopadhyay
[gmx-users] when gen_vel should be "no" Justin A. Lemkul
[gmx-users] when gen_vel should be "no" Florian Dommert
[gmx-users] when gen_vel should be "no" Jochen Hub
[gmx-users] XTC error hhhh huan
[gmx-users] XTC error David van der Spoel

Last message date: Sun Aug 31 23:37:47 CEST 2008
Archived on: Thu Nov 14 12:05:01 CET 2013

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