June 2004 Archives by author

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Starting: Tue Jun 1 02:48:47 CEST 2004
Ending: Wed Jun 30 19:53:00 CEST 2004
Messages: 469

[gmx-users] BKS potential SiO2 again gmx at 4ka.mipt.ru
[gmx-users] BKS potential SiO2 again gmx at 4ka.mipt.ru
[gmx-users] PRODRG question Daan van Aalten
[gmx-users] Topology from semiempiricaly optimized structure Daan van Aalten
[gmx-users] Topology from semiempiricaly optimized structure Daan van Aalten
[gmx-users] Topology from semiempiricaly optimized structure Daan van Aalten
[gmx-users] Topology from semiempiricaly optimized structure Daan van Aalten
[gmx-users] problem generating topology file with pdb2gmx Bamidele Adisa
[gmx-users] OPLS, RB dihedrals and LJ-14 interactions Bamidele Adisa
[gmx-users] Caution: Bug in g_cluster/gmx_cluster Roman Affentranger
[gmx-users] g_cluster rmsd definition Roman Affentranger
[gmx-users] GROMACS on specialized hardware Pratul K. Agarwal
[gmx-users] GROMACS on specialized hardware Pratul K. Agarwal
[gmx-users] Fwd: g-rdf segmentation fault Mac OS X Amil Anderson
[gmx-users] init_lambda = 1.00 Alexandre Suman de Araujo
[gmx-users] Bob Arenburg/Austin/IBM is out of the office. Bob Arenburg
[gmx-users] Who uses Gromacs on Power4 ? Marc Baaden
[gmx-users] Who uses Gromacs on Power4 ? Marc Baaden
[gmx-users] Who uses Gromacs on Power4 ? Marc Baaden
[gmx-users] Who uses Gromacs on Power4 ? Marc Baaden
[gmx-users] Re: Power4 : Trying to install... Marc Baaden
[gmx-users] flexible water Vincent Ballenegger
[gmx-users] Re: flexible water Vincent Ballenegger
[gmx-users] Ewald sums too slow? Vincent Ballenegger
[gmx-users] Ewald sums too slow? Vincent Ballenegger
[gmx-users] Rainer Boeckmann
[gmx-users] mpich - mdrun problem Rainer Boeckmann
[gmx-users] mpich - mdrun problem Rainer Boeckmann
[gmx-users] number of frames in trajectory David L. Bostick
[gmx-users] solvation problem Marc Bruning
[gmx-users] Re: crystal waters Marc Bruning
[gmx-users] OPLS 1-4 interactions & intramolecular contributions to interaction energies ... Michael Brunsteiner
[gmx-users] energy contributions ... Michael Brunsteiner
[gmx-users] do_dssp Raghunadha Reddy Burri
[gmx-users] init_lambda = 1.00 Raghunadha Reddy Burri
[gmx-users] init_lambda = 1.00 Raghunadha Reddy Burri
[gmx-users] water density Raghunadha Reddy Burri
[gmx-users] CPU usage Lieven Buts
[gmx-users] Re: problem generating topology file with pdb2gmx badisa at CLEMSON.EDU
[gmx-users] Dppc Benchmark Andrea Carotti
[gmx-users] Dppc Benchmark Andrea Carotti
[gmx-users] Dppc Benchmark Andrea Carotti
[gmx-users] clustering "pdb outsiders" Andrea Carotti
[gmx-users] Who uses Gromacs on Power4 ? Marc Ceruso
[gmx-users] Dihedral angles David Cerutti
[gmx-users] 1-4 LJ Scaling factor David Cerutti
[gmx-users] Another dihedral angles question David Cerutti
[gmx-users] Another dihedral angles question David Cerutti
[gmx-users] Another dihedral angles question David Cerutti
[gmx-users] trjconv via mpirun Ghermes Chilov
[gmx-users] clustering "pdb outsiders" Ghermes Chilov
[gmx-users] PDB2GMX: No Silicon Atoms Found Ilya Chorny
[gmx-users] problem on using g_disre of gmx3.2.1 David
[gmx-users] Overwrite output file David
[gmx-users] problem with genconf David
[gmx-users] re: Using table and Buckingham potential simultaneously David
[gmx-users] Sample input files for shell model David
[gmx-users] problem with genconf David
[gmx-users] Shell model David
[gmx-users] RE: Sample input files for shell model David
[gmx-users] residue David
[gmx-users] mdrun_mpi error David
[gmx-users] could not open "temp.top" David
[gmx-users] Topology from semiempiricaly optimized structure David
[gmx-users] Parallel Problem David
[gmx-users] 1-4 LJ Scaling factor David
[gmx-users] [Fwd: hi (fwd)] David
[gmx-users] (no subject) David
[gmx-users] Ewald sums too slow? David
[gmx-users] Is it possible to write topology for sp-hybrid nitrogen ? David
[gmx-users] energy.edr David
[gmx-users] adding new atom types to ff???.atp David
[gmx-users] XTC format David
[gmx-users] hbonds or h-bonds David
[gmx-users] Dppc Benchmark David
[gmx-users] Re: mdrun_mpi command [Xavier pls] David
[gmx-users] Dppc Benchmark David
[gmx-users] Dppc Benchmark David
[gmx-users] new residue in the rtp fiels David
[gmx-users] opls sigma and epsilon units David
[gmx-users] CG and constraints David
[gmx-users] PDB2GMX: No Silicon Atoms Found David
[gmx-users] Trjconv David
[gmx-users] Potential Energy Units David
[gmx-users] Energy Calculation David
[gmx-users] problem with mpi David
[gmx-users] itp file for SPC water ? David
[gmx-users] enthalpy David
[gmx-users] mean life time David
[gmx-users] grompp problem with cpp -- "does not match topology" David
[gmx-users] Possible problem in trxio.c David
[gmx-users] liquid? nicolas Dinter
[gmx-users] liquid? nicolas Dinter
[gmx-users] Enerpress nicolas Dinter
[gmx-users] rdf nicolas Dinter
[gmx-users] rdf nicolas Dinter
[gmx-users] rdf nicolas Dinter
[gmx-users] Topology from semiempiricaly optimized structure Semen Esilevsky
[gmx-users] Topology from semiempiricaly optimized structure Semen Esilevsky
[gmx-users] Topology from semiempiricaly optimized structure Semen Esilevsky
[gmx-users] Topology from semiempiricaly optimized structure Semen Esilevsky
[gmx-users] Topology from semiempiricaly optimized structure Semen Esilevsky
[gmx-users] LJ-14 interactions in lipid.itp Semen Esilevsky
[gmx-users] Topology from semiempiricaly optimized structure Semen Esilevsky
[gmx-users] residue Semen Esilevsky
[gmx-users] Stepsize too small Semen Esilevsky
[gmx-users] "pressure scaling more than 1%" Semen Esilevsky
[gmx-users] Converting united-atom topology to all-atom Semen Esilevsky
[gmx-users] "Stepsize too small" - please help to understand this!!! Semen Esilevsky
[gmx-users] Question on pullcode Semen Esilevsky
[gmx-users] about interaction energy Anton Feenstra
[gmx-users] Adding 3 body force field term into Gromacs Anton Feenstra
[gmx-users] Rotation of Biomolecules Anton Feenstra
[gmx-users] more questions on g_coar and g_anaeig Anton Feenstra
[gmx-users] init_lambda = 1.00 Anton Feenstra
[gmx-users] Re: Question about Gromacs Anton Feenstra
[gmx-users] CPU usage Anton Feenstra
[gmx-users] Anton Feenstra
[gmx-users] Multiple time step Anton Feenstra
[gmx-users] pdb2gmx Anton Feenstra
[gmx-users] NADH topology Anton Feenstra
[gmx-users] normal node again Anton Feenstra
[gmx-users] Topology from semiempiricaly optimized structure Anton Feenstra
[gmx-users] Re: making index file (old topic) Anton Feenstra
[gmx-users] time step vs system Nuno R. L. Ferreira
[gmx-users] time step vs system Nuno R. L. Ferreira
[gmx-users] Restart dmpc membrane Nuno R. L. Ferreira
[gmx-users] Restart dmpc membrane Nuno R. L. Ferreira
[gmx-users] Restart dmpc membrane Nuno R. L. Ferreira
[gmx-users] Restart dmpc membrane Nuno R. L. Ferreira
[gmx-users] cg warning Nuno R. L. Ferreira
[gmx-users] cg warning Nuno R. L. Ferreira
[gmx-users] cg warning Nuno R. L. Ferreira
[gmx-users] A. - Vol. / lipid & associated errors Nuno R. L. Ferreira
[gmx-users] A. - Vol. / lipid & associated errors Nuno R. L. Ferreira
[gmx-users] A. - Vol. / lipid & associated errors Nuno R. L. Ferreira
[gmx-users] area per headgroup for lipid Nuno R. L. Ferreira
[gmx-users] area per headgroup for lipid, and volume per lipid - Gromacs Nuno R. L. Ferreira
[gmx-users] "pressure scaling more than 1%" Nuno R. L. Ferreira
[gmx-users] Top file geting erased Nuno R. L. Ferreira
[gmx-users] multiple forcefields Nuno R. L. Ferreira
[gmx-users] Trjconv Nuno R. L. Ferreira
[gmx-users] clustering "pdb outsiders" Nuno R. L. Ferreira
[gmx-users] clustering "pdb outsiders" Nuno R. L. Ferreira
[gmx-users] coresponding force field for ffgmx.atp Nuno R. L. Ferreira
[gmx-users] g_cluster fatal error Nuno R. L. Ferreira
[gmx-users] g_cluster fatal error Nuno R. L. Ferreira
[gmx-users] g_cluster fatal error Nuno R. L. Ferreira
[gmx-users] mpi version Prasad Gajula
[gmx-users] ligand bond between iron and glutamic acid Prasad Gajula
[gmx-users] hbonds or h-bonds Prasad Gajula
[gmx-users] Amber 2 gmx Herbert Georg
[gmx-users] New residues in rtp files :-) Arlan Goncalves
[gmx-users] Re: new residue in the rtp fiels Arlan Goncalves
[gmx-users] Restart dmpc membrane Kay Gottschalk
[gmx-users] Membrane protein tilt. Kay Gottschalk
[gmx-users] symmetric restrains Bert de Groot
[gmx-users] the error in my BD simulation Hanming
[gmx-users] How to produce the .top file of the molecule in which the residue has more than one connected points Hanming
[gmx-users] Can I use the pdb2gmx to produce the .top file of dendrimers? Hanming
[gmx-users] Can I keep the chirality character when I use the united atom force filed? Hanming
[gmx-users] Are there something different about the input files between SD ans BD? Hanming
[gmx-users] Implicit solvent Hanming
[gmx-users] pull code Berk Hess
[gmx-users] normal node again Berk Hess
[gmx-users] g_anaeig output Berk Hess
[gmx-users] RE: g_anaeig output Berk Hess
[gmx-users] g_anaeig output Berk Hess
[gmx-users] Re: g_anaeig output Berk Hess
[gmx-users] Re: g_anaeig output Berk Hess
[gmx-users] oscillations in constrain forces Berk Hess
[gmx-users] Re: g_anaeig output Berk Hess
[gmx-users] Re: oscillations in constrain forces Berk Hess
[gmx-users] Implicit solvent Berk Hess
[gmx-users] Question on pullcode Berk Hess
[gmx-users] clustering "pdb outsiders" Berk Hess
[gmx-users] "types" in distance restraints Berk Hess
[gmx-users] g_cluster fatal error Berk Hess
[gmx-users] Essential dynamics and cosine content Berk Hess
[gmx-users] Restart dmpc membrane Carl-Johan Högberg
[gmx-users] Restart dmpc membrane Carl-Johan Högberg
[gmx-users] Restart dmpc membrane Carl-Johan Högberg
[gmx-users] Restart dmpc membrane Carl-Johan Högberg
[gmx-users] Restart dmpc membrane Carl-Johan Högberg
[gmx-users] Restart dmpc membrane Carl-Johan Högberg
[gmx-users] CPU usage F Jiang
[gmx-users] more CPU usage and LINCS F Jiang
[gmx-users] LINCS again F Jiang
[gmx-users] Dual G5 Itamar Kass
[gmx-users] em and pr Itamar Kass
Fwd: [gmx-users] em and pr Itamar Kass
[gmx-users] Overwrite output file Seonah Kim
[gmx-users] mdrun_mpi error Seonah Kim
[gmx-users] grompp error Seonah Kim
[gmx-users] How to use ambconv package... Seonah Kim
[gmx-users] Dppc Benchmark Seonah Kim
[gmx-users] Grompp Fatal Error Seonah Kim
[gmx-users] Speptide position restraint Seonah Kim
[gmx-users] how to put protein in the box? Seonah Kim
[gmx-users] Dual G5 Damodaran Krishnan
[gmx-users] How to use ambconv package... Tomas Kubar
[gmx-users] How to use ambconv package... Tomas Kubar
[gmx-users] How to use ambconv package... Tomas Kubar
[gmx-users] How to use ambconv package... Tomas Kubar
[gmx-users] Trouble editing mdp file Oliver Lange
[gmx-users] request Oliver Lange
[gmx-users] lots of stuff written to the screen by GROMACS Oliver Lange
[gmx-users] request Oliver Lange
[gmx-users] cg warning Derrick Guang Yuh Lee
[gmx-users] cg warning Derrick Guang Yuh Lee
[gmx-users] cg warning Derrick Guang Yuh Lee
[gmx-users] em and pr Derrick Guang Yuh Lee
[gmx-users] multiple forcefields Derrick Guang Yuh Lee
[gmx-users] multiple forcefields Derrick Guang Yuh Lee
[gmx-users] multiple forcefields Derrick Guang Yuh Lee
[gmx-users] Re: g_anaeig output Marc Lensink
[gmx-users] Re: crystal waters Marc Lensink
[gmx-users] g_cluster rmsd definition Linda
[gmx-users] Re: g_cluster rmsd definition (Roman Affentranger) Linda
[gmx-users] Who uses Gromacs on Power4 ? Erik Lindahl
[gmx-users] Who uses Gromacs on Power4 ? Erik Lindahl
[gmx-users] Adding 3 body force field term into Gromacs Erik Lindahl
[gmx-users] trjconv via mpirun Erik Lindahl
[gmx-users] Overwrite output file Erik Lindahl
[gmx-users] Overwrite output file Erik Lindahl
[gmx-users] A. - Vol. / lipid & associated errors Erik Lindahl
[gmx-users] A. - Vol. / lipid & associated errors Erik Lindahl
[gmx-users] Re: Power4 : Trying to install... Erik Lindahl
[gmx-users] grompp error Erik Lindahl
[gmx-users] Topology from semiempiricaly optimized structure Erik Lindahl
[gmx-users] area per headgroup for lipid, and volume per lipid - Gromacs Erik Lindahl
[gmx-users] Topology from semiempiricaly optimized structure Erik Lindahl
[gmx-users] Ewald sums too slow? Erik Lindahl
[gmx-users] FFTW libraries Erik Lindahl
[gmx-users] OPLS 1-4 interactions & intramolecular contributions to interaction energies ... Erik Lindahl
[gmx-users] Gromacs force field parametsin NAMD: Syntax error in ATOMS Erik Lindahl
[gmx-users] number of frames in trajectory Erik Lindahl
[gmx-users] opls sigma and epsilon units Pedro Alexandre Lapido Loureiro
[gmx-users] FFTW libraries Paul van Maaren
[gmx-users] CG and constraints Milan Melichercik
[gmx-users] Who uses Gromacs on Power4 ? Campbell Millar
[gmx-users] mdrun crashing on Power4/P690+ Campbell Millar
[gmx-users] Parallel Problem Ashish Misra
[gmx-users] non-standard residue format Elena Molteni
[gmx-users] non-standard histidine Elena Molteni
[gmx-users] "types" in distance restraints Elena Molteni
[gmx-users] energy.edr Farshid Mostowfi
[gmx-users] Potential Energy Units Farshid Mostowfi
[gmx-users] ngmx cannot be compiled Andre Farias de Moura
[gmx-users] simulating films at air-water interface Andre Farias de Moura
[gmx-users] OPLS 1-4 interactions & intramolecular contributionsto interaction energies ... Nagy, Peter I.
[gmx-users] Using both tables and LJ potentials Pavan K. Naicker
[gmx-users] re: Using table and Buckingham potential simultaneously Pavan K. Naicker
[gmx-users] free energy Andrei Neamtu
[gmx-users] PDB2GMX: No Silicon Atoms Found Gromacs Newbie
[gmx-users] g_chi dihtrans.xvg (output just for chi angle) Mateusz Nowak
[gmx-users] FFTW libraries Dr Seth Carlton OLSEN
[gmx-users] FFTW libraries Dr Seth Carlton OLSEN
[gmx-users] my_dssp or your_dssp? Dr Seth Carlton OLSEN
[gmx-users] g_order -unsat Samuli Ollila
[gmx-users] g_mindist segmentation fault Elad P.
[gmx-users] include new residues in the rtp file Marcela P.Aliste
[gmx-users] new residue in the rtp fiels Marcela P.Aliste
[gmx-users] Truncated Octahedron Box Chng Choon Peng
[gmx-users] FFTW libraries Chng Choon Peng
[gmx-users] my_dssp or your_dssp? Chng Choon Peng
[gmx-users] time step vs system Xavier Periole
[gmx-users] Restart dmpc membrane Xavier Periole
[gmx-users] Membrane protein tilt. Xavier Periole
[gmx-users] init_lambda = 1.00 Xavier Periole
[gmx-users] residue Xavier Periole
[gmx-users] area per headgroup for lipid, and volume per lipid - Gromacs Xavier Periole
[gmx-users] program for calculation of the orientation of lipid head groups Xavier Periole
[gmx-users] [Fwd: hi (fwd)] Xavier Periole
[gmx-users] How to use ambconv package... Xavier Periole
[gmx-users] mdrun_mpi command Xavier Periole
[gmx-users] Benchmark Amy Petrik
[gmx-users] Trjconv Amy Petrik
[gmx-users] read compressed files Nguyen Hoang Phuong
[gmx-users] lots of stuff written to the screen by GROMACS Nguyen Hoang Phuong
[gmx-users] Overwrite output file Nguyen Hoang Phuong
[gmx-users] XTC format Stefano Piana
[gmx-users] request Dinesh Pinisetty
[gmx-users] hi Dinesh Pinisetty
[gmx-users] request Dinesh Pinisetty
[gmx-users] request Dinesh Pinisetty
[gmx-users] (no subject) Dinesh Pinisetty
[gmx-users] (no subject) Dinesh Pinisetty
[gmx-users] request Dinesh Pinisetty
[gmx-users] Dinesh Pinisetty
[gmx-users] residues Dinesh Pinisetty
[gmx-users] residue Dinesh Pinisetty
[gmx-users] residue Dinesh Pinisetty
[gmx-users] residue Dinesh Pinisetty
[gmx-users] Energy Calculation Gaurav Porwal
[gmx-users] itp file for SPC water ? Rui Qiao
[gmx-users] (no subject) Zhen Qin
[gmx-users] (no subject) SLN Prasad Reddy
[gmx-users] (no subject) SLN Prasad Reddy
[gmx-users] (no subject) SLN Prasad Reddy
[gmx-users] adding new atom types to ff???.atp SLN Prasad Reddy
[gmx-users] (no subject) SLN Prasad Reddy
[gmx-users] adding of Phosphoryl oxgen SLN Prasad Reddy
[gmx-users] Top file geting erased SLN Prasad Reddy
[gmx-users] coresponding force field for ffgmx.atp SLN Prasad Reddy
[gmx-users] mdrun crashing on Power4/P690+ Fiona Reid
[gmx-users] (no subject) Fiona Reid
[gmx-users] lam -mpi problem Luciane Vieira de Mello Rigden
[gmx-users] do_dssp Lars Schaefer
[gmx-users] liquid? Lars Schaefer
[gmx-users] OPLS, RB dihedrals and LJ-14 interactions Lars Schaefer
[gmx-users] Power4 : Trying to install... Pim Schravendijk
[gmx-users] Re: making index file (old topic) Pim Schravendijk
[gmx-users] Re: gmx-users Digest, Vol 2, Issue 41 Pim Schravendijk
[gmx-users] normal modes Claudio Saburo Shida
[gmx-users] normal node again Claudio Saburo Shida
[gmx-users] Membrane protein tilt. John Simms
[gmx-users] loop energies John Simms
[gmx-users] RDF of hydroxyl groups Magdalena Siwko
[gmx-users] area per headgroup for lipid, and volume per lipid - Gromacs Yuhua Song
[gmx-users] area per headgroup for lipid Yuhua Song
[gmx-users] area per headgroup for lipid Yuhua Song
[gmx-users] area per headgroup for lipid, and volume per lipid - Gromacs Yuhua Song
[gmx-users] WARNING: could not find a Van der Waals radius for 260 atoms Yuhua Song
[gmx-users] program for calculation of the orientation of lipid head groups Yuhua Song
[gmx-users] Potential Energy Units Yuhua Song
[gmx-users] RE: PRODRG don't add hydrogen to sulphonate? Ing. Vojtech Spiwok
[gmx-users] Energy Calculation Ing. Vojtech Spiwok
[gmx-users] Everything you wanted to know... Ing. Vojtech Spiwok
[gmx-users] time step vs system David van der Spoel
[gmx-users] Restart dmpc membrane David van der Spoel
[gmx-users] symmetric restrains David van der Spoel
[gmx-users] Restart dmpc membrane David van der Spoel
[gmx-users] Restart dmpc membrane David van der Spoel
[gmx-users] Restart dmpc membrane David van der Spoel
[gmx-users] Restart dmpc membrane David van der Spoel
[gmx-users] do_dssp David van der Spoel
[gmx-users] My system is non-zero charge David van der Spoel
[gmx-users] Re: My system is non-zero charge David van der Spoel
[gmx-users] ngmx cannot be compiled David van der Spoel
[gmx-users] liquid? David van der Spoel
[gmx-users] Who uses Gromacs on Power4 ? David van der Spoel
[gmx-users] liquid? David van der Spoel
[gmx-users] parameter declaration David van der Spoel
[gmx-users] mean life time David van der Spoel
[gmx-users] center of mass David van der Spoel
[gmx-users] more CPU usage and LINCS David van der Spoel
[gmx-users] problem generating topology file with pdb2gmx David van der Spoel
[gmx-users] mpi version David van der Spoel
[gmx-users] top file question David van der Spoel
[gmx-users] Updated benchmarks David van der Spoel
[gmx-users] missing parameters David van der Spoel
[gmx-users] LINCS again David van der Spoel
[gmx-users] missing parameters David van der Spoel
[gmx-users] flexible water David van der Spoel
[gmx-users] Enerpress David van der Spoel
[gmx-users] How to produce the .top file of the molecule in which the residue has more than one connected points David van der Spoel
[gmx-users] new residue en rtp David van der Spoel
[gmx-users] Can I use the pdb2gmx to produce the .top file of dendrimers? David van der Spoel
[gmx-users] rdf David van der Spoel
[gmx-users] rdf David van der Spoel
[gmx-users] missing atom David van der Spoel
[gmx-users] loop energies David van der Spoel
[gmx-users] GMX and Celeron David van der Spoel
[gmx-users] rdf David van der Spoel
[gmx-users] non-standard residue format David van der Spoel
[gmx-users] g_cluster fatal error David van der Spoel
[gmx-users] (no subject) David van der Spoel
[gmx-users] pdb2gmx with ATP Stud_Psychopharm
[gmx-users] problem with genconf Albert Sun
[gmx-users] problem with genconf Albert Sun
[gmx-users] problem with genconf Albert Sun
[gmx-users] center of mass Qi Sun
[gmx-users] center of mass Qi Sun
[gmx-users] Adding 3 body force field term into Gromacs Tandia, Adama
[gmx-users] Sample input files for shell model Tandia, Adama
[gmx-users] Shell model Tandia, Adama
[gmx-users] RE: Sample input files for shell model Tandia, Adama
[gmx-users] Adding new topologies to the force field GROMOS87 Tanos
[gmx-users] Is it possible to write topology for sp-hybrid nitrogen ? =?koi8-r?Q?=22?=Alexander Terehov=?koi8-r?Q?=22=20?=
[gmx-users] Is it possible to write topology for sp-hybridnitrogen ? =?koi8-r?Q?=22?=Alexander Terehov=?koi8-r?Q?=22=20?=
[gmx-users] Dummies in .rtp and topology for sp-hybrid atom =?koi8-r?Q?=22?=Alexander Terehov=?koi8-r?Q?=22=20?=
[gmx-users] g_covar and -fit Leonardo Giantini Trabuco
[gmx-users] g_covar and -fit Leonardo Giantini Trabuco
[gmx-users] Essential dynamics and cosine content Leonardo Giantini Trabuco
[gmx-users] Rotation of Biomolecules Christopher Tran
[gmx-users] CPU usage Christopher Tran
[gmx-users] ligand bond between iron and glutamic acid Christopher Tran
[gmx-users] PDB2GMX: No Silicon Atoms Found Christopher Tran
[gmx-users] Speptide position restraint Christopher Tran
[gmx-users] GMX and Celeron Marcos Villarreal
[gmx-users] Celeron Benchmark Marcos Villarreal
[gmx-users] center of mass Dallas Warren
[gmx-users] pdb2gmx Dallas Warren
[gmx-users] area per headgroup for lipid Dallas Warren
[gmx-users] Grompp Fatal Error Dallas Warren
[gmx-users] Can I keep the chirality character when I use the united atom force filed? Dallas Warren
[gmx-users] adding of Phosphoryl oxgen Dallas Warren
[gmx-users] (no subject) Maarten Wolf
[gmx-users] problem with mpi Guoming Xiong
[gmx-users] Gromacs force field parametsin NAMD: Syntax error in ATOMS Sichun Yang
[gmx-users] new residue en rtp Maximiliano Fra Figueroa Yevenes
[gmx-users] Topology from semiempiricaly optimized structure Yiannis
[gmx-users] multiple forcefields Yiannis
[gmx-users] multiple forcefields Yiannis
[gmx-users] Rotation of Biomolecules Yinghong
[gmx-users] My system is non-zero charge Yinghong
[gmx-users] Re: My system is non-zero charge Yinghong
[gmx-users] mdrun_mpi command Yinghong
[gmx-users] Re: mdrun_mpi command [Xavier pls] Yinghong
[gmx-users] CPUs in "mdrun_mpi" command! Yinghong
[gmx-users] BKS potential SiO2 again Lianqing Zheng
[gmx-users] Question on pullcode Xu Zhiping
[gmx-users] Who uses Gromacs on Power4 ? Peter Zoon
[gmx-users] PRODRG question Peter Zoon
[gmx-users] Possible problem in trxio.c Pierfrancesco Zuccato
[gmx-users] problem on using g_disre of gmx3.2.1 F.Hao at chem.rug.nl
[gmx-users] Re: problem on using g_disre of gmx3.2.1 F.Hao at chem.rug.nl
[gmx-users] could not open "temp.top" adrian at criba.edu.ar
[gmx-users] could not open temp.top adrian at criba.edu.ar
[gmx-users] NADH topology Keserű György dr.
[gmx-users] NADH topology Keserű György dr.
[gmx-users] g_anaeig output akdemir at few.vu.nl
[gmx-users] RE: g_anaeig output akdemir at few.vu.nl
[gmx-users] g_anaeig output akdemir at few.vu.nl
[gmx-users] Re: g_anaeig output akdemir at few.vu.nl
[gmx-users] Re: g_anaeig output error akdemir at few.vu.nl
[gmx-users] parameter declaration herbst at fhi-berlin.mpg.de
[gmx-users] pdb2gmx herbst at fhi-berlin.mpg.de
[gmx-users] missing parameters herbst at fhi-berlin.mpg.de
[gmx-users] missing parameters herbst at fhi-berlin.mpg.de
[gmx-users] missing atom herbst at fhi-berlin.mpg.de
[gmx-users] missing atom herbst at fhi-berlin.mpg.de
[gmx-users] why    PRODRG  not  add  the  hydrogen  to  the  oxgen  of  the  sulphnate  group? freda
[gmx-users] why        PRODRG    not    add  the  oxgen of sulphonate group freda
[gmx-users] PRODRG don't add hydrogen to sulphonate? freda
[gmx-users] grompp problem with cpp -- "does not match topology" yli at hcg.bmb.uga.edu
[gmx-users] free energy error aneamtu at iasi.mednet.ro
[gmx-users] Multiple time step istvan at kolossvary.hu
[gmx-users] Beginner questions ashish misra
[gmx-users] Implicit solvent ashish misra
[gmx-users] Implicit solvent ashish misra
[gmx-users] GMX and Celero schraven at mpip-mainz.mpg.de
[gmx-users] (no subject) sara pistolesi
[gmx-users] ligand bond between iron and glutamic acid (vaccum force field) prasad
[gmx-users] ligand bond between iron and glutamic acid prasad
[gmx-users] vaccum pockets sadhna
[gmx-users] what's wrong with rtp file? nanyu101 at sina.com
[gmx-users] symmetric restrains lgan at smail.uni-koeln.de
[gmx-users] symmetric restrains lgan at smail.uni-koeln.de
[gmx-users] no subject nwtria at spymac.com
[gmx-users] Trouble editing mdp file p.keymer at student.qut.edu.au
[gmx-users] Amber 2 gmx david.evans at ulsop.ac.uk
[gmx-users] How to use ambconv package... david.evans at ulsop.ac.uk
[gmx-users] How to use ambconv package... david.evans at ulsop.ac.uk
[gmx-users] How to use ambconv package... david.evans at ulsop.ac.uk
[gmx-users] How to use ambconv package... david.evans at ulsop.ac.uk
[gmx-users] Free-Energy input acorrea at unisa.it
[gmx-users] pull code acorrea at unisa.it
[gmx-users] pull code-Thanks acorrea at unisa.it
[gmx-users] mean life time parinald at unsl.edu.ar
[gmx-users] enthalpy parinald at unsl.edu.ar
[gmx-users] mean life time parinald at unsl.edu.ar
[gmx-users] oscillations in constrain forces fangel at usc.es
[gmx-users] Re: oscillations in constrain forces fangel at usc.es
[gmx-users] Help reg. EM sameer varma
[gmx-users] area per headgroup for lipid, and volume per lipid - Gromacs sameer varma
[gmx-users] top file question コウチ
[gmx-users] top file question コウチ

Last message date: Wed Jun 30 19:53:00 CEST 2004
Archived on: Thu Nov 14 12:00:52 CET 2013

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