June 2005 Archives by author

Messages sorted by: [ thread ] [ subject ] [ date ]
More info on this list...

Starting: Wed Jun 1 00:41:48 CEST 2005
Ending: Thu Jun 30 21:38:41 CEST 2005
Messages: 506

[gmx-users] How can I install gromacs with gamess-uk? =?gb2312?B?5bC55L+K?=
[gmx-users] distance restraints and lincs warning A.Rampioni
[gmx-users] distance restraints and lincs warning A.Rampioni
[gmx-users] How to create non-standard rediue file in GROMACS? Daan van Aalten
[gmx-users] cofactor in PDB file Alok
[gmx-users] cofactor in PDB file (again) Alok
[gmx-users] [Fwd: Request] Alok
[gmx-users] Why atom types differ! Prettina Anto_Louis
[gmx-users] pull code Attilio
[gmx-users] pull code Attilio
[gmx-users] pull code Attilio
[gmx-users] pull code Attilio
[gmx-users] pull code Attilio
[gmx-users] "ideal" mdp file for NVE simulation as textbook example Marc Baaden
[gmx-users] "ideal" mdp file for NVE simulation as textbook example Marc Baaden
[gmx-users] NMA on Calphas only / Matrix inversion routine in Gromacs ? Marc Baaden
[gmx-users] Analysis tool tips as I check around Cetin Baloglu
[gmx-users] How can I install gromacs with gamess-uk? Cetin Baloglu
[gmx-users] Missing .trr Una Bjarnadottir
[gmx-users] Case sensitivity in ff and topology files Attila Borics
[gmx-users] FEP w/ monovalent ion David L. Bostick
[gmx-users] FEP w/ monovalent ion (addendum) David L. Bostick
[gmx-users] FEP w/ monovalent ion (addendum) David L. Bostick
[gmx-users] myoglobin Gregory Ross Bowman
[gmx-users] Simulation of a part of the system Monique Brito
[gmx-users] gigabit scaling, DPPC benchmark Christian Burisch
[gmx-users] continuations Rainer Böckmann
[gmx-users] configure gmx on sgi Marta Beatriz Caldentey
[gmx-users] gigabit scaling, DPPC benchmark Jordi Camps
[gmx-users] Fatal error message Jordi Camps
[gmx-users] Protonation state: CYX HID Jordi Camps
[gmx-users] Protonation state: CYX HID Jordi Camps
[gmx-users] Protonation state: CYX HID Jordi Camps
[gmx-users] Saving trajectories during a dynamics run at a certain time intervals Rob Carlson
[gmx-users] FMNO topology Andrea Carotti
[gmx-users] GROMOS87 force field Tommy Carstensen
[gmx-users] g_nmens, NMA, normal mode ensemble, nan-coordinates Tommy Carstensen
[gmx-users] energy minimization and normal mode analysis (again again probably) Tommy Carstensen
[gmx-users] GROMACS on Mac OS X Enrico Cattaruzza
[gmx-users] Unable to make .gro file Jeffrey Chua
[gmx-users] Error: mdrun expects it for 1 node Jeffrey Chua
[gmx-users] Re: Error: mdrun expects it for 1 node Jeffrey Chua
[gmx-users] configure gmx on sgi Haruna Cofer
[gmx-users] Scaling on SGI Altix 3700 Bx2 Haruna Cofer
[gmx-users] Minimization Question Anthony Cruz
[gmx-users] Minimization Question Anthony Cruz
[gmx-users] pocket volume Anthony Cruz
[gmx-users] pocket volume Anthony Cruz
[gmx-users] Extended run from single to multy processor Anthony Cruz
[gmx-users] g_helix question David
[gmx-users] Installation - can I skip auto-vectorization? David
[gmx-users] Installation problem David
[gmx-users] Re: How to apply distance restraint David
[gmx-users] Cross-compiling: How to include an externally generated innerc.c? David
[gmx-users] fatal error message David
[gmx-users] bpsh problem David
[gmx-users] md.tpr version conflict NEED YOUR HELP! David
[gmx-users] TIP4P water shrinks during energy minimization David
[gmx-users] "ideal" mdp file for NVE simulation as textbook example David
[gmx-users] time effect of including PME calculation David
[gmx-users] "ideal" mdp file for NVE simulation as textbook example David
[gmx-users] gigabit scaling, DPPC benchmark David
[gmx-users] Fatal error message David
[gmx-users] gigabit scaling, DPPC benchmark David
[gmx-users] gigabit scaling, DPPC benchmark David
[gmx-users] grompp cpp pre-processor David
[gmx-users] cell output David
[gmx-users] a problem with a DNA simulation using the g53a6 forcefield David
[gmx-users] cell output David
[gmx-users] dihedral restraints with CVS version -- has anyone used dihedral restraints? Do they work? David
[gmx-users] gels David
[gmx-users] bulk modulus David
[gmx-users] Benchmarks David
[gmx-users] Question regarding installing fftw David
[gmx-users] gigabit scaling, DPPC benchmark David
[gmx-users] Benchmarks David
[gmx-users] gigabit scaling, DPPC benchmark David
[gmx-users] Benchmarks David
[gmx-users] [Fwd: Grompp error (no default RB dihedral)] David
[gmx-users] Potential energy increases David
[gmx-users] [Fwd: hbdist] David
[gmx-users] Parallel message passing David
[gmx-users] [Fwd: Question re: GROMACS units] David
[gmx-users] Add new atom type David
[gmx-users] bilayer problems and ffG45a David
[gmx-users] grompp -np option David
[gmx-users] .log file documentaion David
[gmx-users] Grompp error (no default RB dihedral) David
[gmx-users] FEP w/ monovalent ion David
[gmx-users] Protonation state: CYX HID David
[gmx-users] windows version from contribution section or cygwin David
[gmx-users] memory problems with g_hbond David
[gmx-users] simulation shut down: reason unknown David
[gmx-users] angle force constant in mdp file? David
[Fwd: Re: [gmx-users] [Fwd: Grompp error (no default RB dihedral)]] David
[gmx-users] Mailing list ethics David
[gmx-users] salt bridge analysis David
[gmx-users] Continue finished job and Smoothing trajectories questions David
[gmx-users] rerun queries David
[gmx-users] Apples-to-Apples comparison for dpcc benchmark David
[gmx-users] FMNO topology David
[gmx-users] Continuation of finished job David
[gmx-users] [Fwd: fix the temperature] David
[gmx-users] where is the data type t_pargs David
[gmx-users] FMNO topology David
[gmx-users] Continuation of finished job David
[gmx-users] Too much Flops for Lennard-Jones David
[gmx-users] Segmentation fault David
[gmx-users] Minimization Question Diego Enry
[gmx-users] Minimization Question Diego Enry
[gmx-users] gigabit scaling, DPPC benchmark Diego Enry
[gmx-users] increasing run time estimate (Digest, Vol 13, Issue 73) Anton Feenstra
[gmx-users] Re: gmx-users Digest, Vol 13, Issue 73 Anton Feenstra
[gmx-users] quick question Anton Feenstra
[gmx-users] Mdrun problems Anton Feenstra
[gmx-users] Performance Anton Feenstra
[gmx-users] T-coupling of water and ion Anton Feenstra
[gmx-users] kindly guide me! Anton Feenstra
[gmx-users] creating a new non bonded potential Anton Feenstra
[gmx-users] creating a new non bonded potential Anton Feenstra
[gmx-users] Running mpi gromacs on solaris 9 Anton Feenstra
[gmx-users] trjconv manipulation Anton Feenstra
[gmx-users] HETATM group "NN 46N FA NO" Anton Feenstra
[gmx-users] angle force constant in mdp file? Anton Feenstra
[gmx-users] system blowing up Anton Feenstra
[gmx-users] memory problems with g_hbond Anton Feenstra
[gmx-users] trjconv manipulation Anton Feenstra
[gmx-users] Free energy perturbation protocol Anton Feenstra
[gmx-users] hbonds Anton Feenstra
[gmx-users] RE: Free energy protocol Anton Feenstra
[gmx-users] g_energy and mdrun output Anton Feenstra
[gmx-users] GROMOS87 force field Anton Feenstra
[gmx-users] Anisotropic United Atom model and dummy atoms. Anton Feenstra
[gmx-users] Fatal error message Anton Feenstra
[gmx-users] Add new atom type Anton Feenstra
[gmx-users] [Fwd: Question re: GROMACS units] Anton Feenstra
[gmx-users] Re: How constrain specefic regions of a protein Anton Feenstra
[gmx-users] Apples-to-Apples comparison for dpcc benchmark Anton Feenstra
[gmx-users] rigid body again Anton Feenstra
[gmx-users] visualize normal mode Anton Feenstra
[gmx-users] "ideal" mdp file for NVE simulation as textbook example Anton Feenstra
[gmx-users] FMNO topology Anton Feenstra
[gmx-users] SR and LJ energies Anton Feenstra
[gmx-users] Continuation of finished job Anton Feenstra
[gmx-users] [Fwd: fix the temperature] Anton Feenstra
[gmx-users] g-hbond -sel problem Anton Feenstra
[gmx-users] water molecule can not be settled, what could be the cause? Anton Feenstra
[gmx-users] atom not found in rtp Anton Feenstra
[gmx-users] cluster analysis Anton Feenstra
[gmx-users] long bonds and seperating protein into chains Anton Feenstra
[gmx-users] Re: ED analysis Anton Feenstra
[gmx-users] OPLS, pdb2gmx and hydrogen nomenclature Anton Feenstra
[gmx-users] distance restraints and lincs warning Anton Feenstra
[gmx-users] How to generate .ndx file Anton Feenstra
[gmx-users] Coul-LR Anton Feenstra
[gmx-users] Custon ndx Anton Feenstra
[gmx-users] problem with g_cluster Anton Feenstra
[gmx-users] how to set tolerance for bond formation distance? Anton Feenstra
[gmx-users] OPLS, pdb2gmx and hydrogen nomenclature Anton Feenstra
[gmx-users] trjconv warning Anton Feenstra
[gmx-users] Saving trajectories during a dynamics run at a certain time intervals Anton Feenstra
[gmx-users] problem with g_cluster Anton Feenstra
[gmx-users] manual for Gromacs 3.0.2 needed Anton Feenstra
[gmx-users] Continue run after a crush Anton Feenstra
[gmx-users] how to set tolerance for bond formation distance? Anton Feenstra
[gmx-users] freeze area around ative site Anton Feenstra
[gmx-users] pull code Anton Feenstra
[gmx-users] Analysis tool tips as I check around Anton Feenstra
[gmx-users] visualize normal mode Ignacio Rodriguez Fernandez
[gmx-users] Too much Flops for Lennard-Jones Ignacio Rodriguez Fernandez
[gmx-users] Gromacs Simulation in VMD Nuno R. L. Ferreira
[gmx-users] anadock does not run Shatadal Ghosh
[gmx-users] Questions about Visualization Maik Goette
[gmx-users] TIP4P water shrinks during energy minimization Valentin Gogonea
[gmx-users] TIP4P water shrinks during energy minimization Valentin Gogonea
[gmx-users] pull code Kay Gottschalk
[gmx-users] binary conversion of hessian Michael Grabe
[gmx-users] (no subject) Michael Grabe
[gmx-users] continuations Joanne Hanna
[gmx-users] continuations Joanne Hanna
[gmx-users] Custon ndx Joanne Hanna
[gmx-users] freeze area around ative site Joanne Hanna
[gmx-users] Pressure Joanne Hanna
[gmx-users] oligosaccharide parametrization Peter I. Hansen
[gmx-users] pdb2gmx capabilities Peter I. Hansen
[gmx-users] pdb2gmx capabilities Peter I. Hansen
[gmx-users] eigenvectors visualization Berk Hess
[gmx-users] grompp -np option Berk Hess
[gmx-users] grompp -np option Berk Hess
[gmx-users] FEP w/ monovalent ion Berk Hess
[gmx-users] FEP w/ monovalent ion Berk Hess
[gmx-users] Scaling on SGI Altix 3700 Bx2 Berk Hess
[gmx-users] Boltzmann weighting factor when calculating properties. Berk Hess
[gmx-users] Question regarding installing fftw Michael Homa
[gmx-users] gromac on FC4 x86_64 Jack Howarth
[gmx-users] atom not found in rtp Jozef Hritz
[gmx-users] cluster analysis UCT Staff Member - Jackson
[gmx-users] g_energy and mdrun output UCT Staff Member - Jackson
[gmx-users] gels Jair
[gmx-users] Re: PME slows down Jason de Joannis
[gmx-users] Re: PME slows down Jason de Joannis
[gmx-users] gigabit scaling, DPPC benchmark Jason de Joannis
[gmx-users] gigabit scaling, DPPC benchmark Jason de Joannis
[gmx-users] gigabit scaling, DPPC benchmark Jason de Joannis
[gmx-users] gigabit scaling, DPPC benchmark Jason de Joannis
[gmx-users] gigabit scaling, DPPC benchmark Jason de Joannis
[gmx-users] gigabit scaling, DPPC benchmark Jason de Joannis
[gmx-users] pbc, distance between atoms ARGYRIOS KARATRANTOS
[gmx-users] grompp fatal error ARGYRIOS KARATRANTOS
[gmx-users] Segmentation fault ARGYRIOS KARATRANTOS
[gmx-users] (no subject) ARGYRIOS KARATRANTOS
[gmx-users] Potential Energy = nan ARGYRIOS KARATRANTOS
[gmx-users] no periodicity in z, very high Temperatures ARGYRIOS KARATRANTOS
[gmx-users] How to create topol.tpr Itamar Kass
[gmx-users] bilayer problems and ffG45a Itamar Kass
[gmx-users] itp file with all hydrogens Itamar Kass
[gmx-users] membrane protein md using gromacs Itamar Kass
[gmx-users] Boltzmann weighting factor when calculating properties. Itamar Kass
[gmx-users] SR and LJ energies Michal Kolinski
[gmx-users] SR and LJ energies Michal Kolinski
[gmx-users] SR and LJ energies Michal Kolinski
[gmx-users] pull code Jens Krüger
[gmx-users] Need Help installation for window xp Lakhani, Ahmed Ashiqali
[gmx-users] How to create topol.tpr Lakhani, Ahmed Ashiqali
[gmx-users] help with gromacs Lakhani, Ahmed Ashiqali
[gmx-users] fatal error message Lakhani, Ahmed Ashiqali
[gmx-users] Gromacs Simulation in VMD Lakhani, Ahmed Ashiqali
[gmx-users] Fatal error message Lakhani, Ahmed Ashiqali
[gmx-users] Backslash Lakhani, Ahmed Ashiqali
[gmx-users] Grompp error (no default RB dihedral) Lakhani, Ahmed Ashiqali
[gmx-users] Question about analysis Lakhani, Ahmed Ashiqali
[gmx-users] rerun queries Dilraj Lama
[gmx-users] rerun queries Dilraj Lama
[gmx-users] How do i continue mdrun! chiloo Laohpongspaisan
[gmx-users] How to create topol.tpr Derrick Guang Yuh Lee
[gmx-users] fatal error message Derrick Guang Yuh Lee
[gmx-users] Anisotropic United Atom model and dummy atoms. Frederic Leroy
[gmx-users] opls Ryckaert-Bellemans parameters Frederic Leroy
[gmx-users] Pressure Frederic Leroy
[gmx-users] Potential Energy = nan Frederic Leroy
[gmx-users] AMD Opteron and CVS Gromacs 061305 Mostyn Lewis
[gmx-users] Potential energy increases Binbin Liu
[gmx-users] G5 & G4 compiler options Tyler Luchko
[gmx-users] Performance M.Naser
[gmx-users] Continuation of finished job Gia Maisuradze
[gmx-users] Continuation of finished job Gia Maisuradze
[gmx-users] Continuation of finished job Gia Maisuradze
[gmx-users] Continuation of finished job Gia Maisuradze
[gmx-users] Possible problem in trxio.c Claudio J. Margulis
[gmx-users] potassium Matteo Masetti
[gmx-users] Potassium (again) Matteo Masetti
[gmx-users] format for Hessian matrices Meli Massimiliano
[gmx-users] help with Hessian Matrix again Meli Massimiliano
[gmx-users] manganese parameters in Gromacs Luciane V. Mello
[gmx-users] running g_rms from a script Michael
[gmx-users] dihedral restraints -- works, but restraint energy 0.000 David Mobley
[gmx-users] How to apply distance restraints. David Mobley
[gmx-users] Mdrun problems David Mobley
[gmx-users] Re: How to apply distance restraints David Mobley
[gmx-users] bpsh problem David Mobley
[gmx-users] dihedral restraints: Can users or developers help? David Mobley
[gmx-users] dihedral restraints with CVS version -- has anyone used dihedral restraints? Do they work? David Mobley
[gmx-users] angle force constant in mdp file? David Mobley
[gmx-users] (no subject) David Mobley
[gmx-users] water temperature 10 to 20 degrees higher than specified value Moore, Jonathan (J)
[gmx-users] water temperature 10 to 20 degrees higher than sp ecified value Moore, Jonathan (J)
[gmx-users] Installation - can I skip auto-vectorization? Nathan Moore
[gmx-users] Installation - can I skip auto-vectorization? Nathan Moore
[gmx-users] Installation - can I skip auto-vectorization? Nathan Moore
[gmx-users] Installation - can I skip auto-vectorization? Nathan Moore
[gmx-users] Cross-compiling: How to include an externally generated innerc.c? Nathan Moore
[gmx-users] Cross-compiling: How to include an externally generated innerc.c? Nathan Moore
[gmx-users] Cross-compiling: How to include an externally generated innerc.c? Nathan Moore
[gmx-users] grompp cpp pre-processor Nathan Moore
[gmx-users] grompp cpp pre-processor Nathan Moore
[gmx-users] grompp cpp pre-processor Nathan Moore
[gmx-users] Question regarding installing fftw Nathan Moore
[gmx-users] Benchmarks Nathan Moore
[gmx-users] Benchmarks Nathan Moore
[gmx-users] Benchmarks Nathan Moore
[gmx-users] grompp Nathan Moore
[gmx-users] Parallel message passing Nathan Moore
[gmx-users] Parallel message passing Nathan Moore
[gmx-users] Parallel message passing Nathan Moore
[gmx-users] grompp -np option Nathan Moore
[gmx-users] grompp -np option Nathan Moore
[gmx-users] grompp -np option Nathan Moore
[gmx-users] grompp -np option Nathan Moore
[gmx-users] .log file documentaion Nathan Moore
[gmx-users] .log file documentaion Nathan Moore
[gmx-users] Apples-to-Apples comparison for dpcc benchmark Nathan Moore
[gmx-users] Apples-to-Apples comparison for dpcc benchmark Nathan Moore
[gmx-users] Apples-to-Apples comparison for dpcc benchmark Nathan Moore
[gmx-users] Re: How to apply distance restraints Kirti Patel
[gmx-users] Re: How to apply distance restraint Kirti Patel
[gmx-users] Re: How constrain specefic regions of a protein Kirti Patel
[gmx-users] How to generate .ndx file Kirti Patel
[gmx-users] About generating step files Kirti Patel
[gmx-users] No velocities found Xavier Periole
[gmx-users] beta hairpin; folding times; discrepancy between experiment and simulations Xavier Periole
[gmx-users] Coul-LR Nguyen Hoang Phuong
[gmx-users] octahedral box Nguyen Hoang Phuong
[gmx-users] Ewald summation Nguyen Hoang Phuong
[gmx-users] ewaldcoeff in ewald.c Nguyen Hoang Phuong
[gmx-users] adding molecules Dinesh Pinisetty
[gmx-users] g_helix question Zhen Qin
[gmx-users] g_helix question Zhen Qin
[gmx-users] g_helix question Zhen Qin
[gmx-users] Re: How to apply distance restraint Uwe Richter
[gmx-users] how to set tolerance for bond formation distance? Uwe Richter
[gmx-users] temperature explosion in NVE ensemble Alex Robertson
[gmx-users] Potential energy increases Ken Rotondi
[gmx-users] (no subject) Ken Rotondi
[gmx-users] g-hbond -sel problem Henrik Rundgren
[gmx-users] FMNO topology YOLANDA SMALL
[gmx-users] FMNO topology YOLANDA SMALL
[gmx-users] FMNO topology YOLANDA SMALL
[gmx-users] FMNO topology YOLANDA SMALL
[gmx-users] Export trajectory file every 20ps of 100ps run YOLANDA SMALL
[gmx-users] Re: Error: mdrun expects it for 1 node VISWANADHA SRIDHARA
[gmx-users] g_dielectric-(Cole-cole) VISWANADHA SRIDHARA
[gmx-users] centering DPC micelle VISWANADHA SRIDHARA
[gmx-users] centering DPC micelle VISWANADHA SRIDHARA
[gmx-users] make_ndx VISWANADHA SRIDHARA
[gmx-users] Mdrun problems Farid Sa'Adedin
[gmx-users] Mdrun problems Farid Sa'Adedin
[gmx-users] beta hairpin; folding times; discrepancy between experiment and simulations Y U Sasidhar
[gmx-users] md.tpr version conflict NEED YOUR HELP! Vlad Scepanovsky
[gmx-users] hbonds Christian Schauz
[gmx-users] itp file with all hydrogens Rotem Sertchook
[gmx-users] bilayer problems and ffG45a John Simms
[gmx-users] windows version from contribution section or cygwin John Simms
[gmx-users] analysis pressure Simple
[gmx-users] OPLS, pdb2gmx and hydrogen nomenclature Sandeep Somani
[gmx-users] OPLS, pdb2gmx and hydrogen nomenclature Sandeep Somani
[gmx-users] OPLS, pdb2gmx and hydrogen nomenclature Sandeep Somani
[gmx-users] AMBER ports available for GROMACS Eric J. Sorin
[gmx-users] Installation David van der Spoel
[gmx-users] T-coupling of water and ion David van der Spoel
[gmx-users] Re: How to apply distance restraints David van der Spoel
[gmx-users] Possible problem in trxio.c David van der Spoel
[gmx-users] Re: PME slows down David van der Spoel
[gmx-users] Installation - can I skip auto-vectorization? David van der Spoel
[gmx-users] Mdrun problems David van der Spoel
[gmx-users] Cross-compiling: How to include an externally generated innerc.c? David van der Spoel
[gmx-users] pbc, distance between atoms David van der Spoel
[gmx-users] Simulated Annealing David van der Spoel
[gmx-users] Backslash David van der Spoel
[gmx-users] grompp cpp pre-processor David van der Spoel
[gmx-users] gigabit scaling, DPPC benchmark David van der Spoel
[gmx-users] grompp cpp pre-processor David van der Spoel
[gmx-users] potential energy increases David van der Spoel
[gmx-users] format for Hessian matrices David van der Spoel
[gmx-users] grompp David van der Spoel
[gmx-users] [Fwd: hbdist] David van der Spoel
[gmx-users] How constrain specefic regions of a protein David van der Spoel
[gmx-users] Gromacs installation David van der Spoel
[gmx-users] Parallel message passing David van der Spoel
[gmx-users] rigid body again David van der Spoel
[gmx-users] rigid body again David van der Spoel
[gmx-users] Parallel message passing David van der Spoel
[gmx-users] [Fwd: Grompp error (no default RB dihedral)] David van der Spoel
[gmx-users] g_energy and mdrun output David van der Spoel
[gmx-users] pdb2gmx capabilities David van der Spoel
[gmx-users] Potassium (again) David van der Spoel
[gmx-users] GROMOS87 force field David van der Spoel
[gmx-users] pdb2gmx capabilities David van der Spoel
[gmx-users] Missing .trr David van der Spoel
[gmx-users] binary conversion of hessian David van der Spoel
[gmx-users] Error: mdrun expects it for 1 node David van der Spoel
[gmx-users] Re: Error: mdrun expects it for 1 node David van der Spoel
[gmx-users] [Fwd: Request] David van der Spoel
[gmx-users] adding molecules David van der Spoel
[gmx-users] Apples-to-Apples comparison for dpcc benchmark David van der Spoel
[gmx-users] grompp fatal error David van der Spoel
[gmx-users] Continuation of finished job David van der Spoel
[gmx-users] OPLS Implimentation in GROMACS David van der Spoel
[gmx-users] continuations David van der Spoel
[gmx-users] continuations David van der Spoel
[gmx-users] SR and LJ energies David van der Spoel
[gmx-users] Unable to make .gro file T.A.Wassenaar
[gmx-users] (no subject) T.A.Wassenaar
[gmx-users] water molecule can not be settled,what could be the cause? T.A.Wassenaar
[gmx-users] cell output T.A.Wassenaar
[gmx-users] How do i continue mdrun! T.A.Wassenaar
[gmx-users] distance restraints and lincs warning T.A.Wassenaar
[gmx-users] octahedral box T.A.Wassenaar
[gmx-users] manganese parameters in Gromacs T.A.Wassenaar
[gmx-users] centering DPC micelle T.A.Wassenaar
[gmx-users] Scaling on SGI Altix 3700 Bx2 T.A.Wassenaar
[gmx-users] Add new atom type Tandia, Adama
[gmx-users] memory problems with g_hbond Attilio Vargiu
[gmx-users] memory problems with g_hbond Attilio Vargiu
[gmx-users] gigabit scaling, DPPC benchmark Marcos Villarreal
[gmx-users] kindly guide me! Dallas B. Warren
[gmx-users] equilibration & g_rdf Dallas B. Warren
[gmx-users] quick question Dallas B. Warren
[gmx-users] Questions about Visualization Dallas B. Warren
[gmx-users] trjconv manipulation Dallas B. Warren
[gmx-users] OPLS Implimentation in GROMACS Dallas B. Warren
[gmx-users] OPLS Implimentation in GROMACS Dallas B. Warren
[gmx-users] Export trajectory file every 20ps of 100ps run Dallas B. Warren
[gmx-users] Scaling on SGI Altix 3700 Bx2 Dallas B. Warren
[gmx-users] manual for Gromacs 3.0.2 needed Zhao Wei
[gmx-users] question about XDR library support Zhao Wei
[gmx-users] a problem with a DNA simulation using the g53a6 forcefield Kristina Nicole Woods
[gmx-users] water temperature 10 to 20 degrees higher than specified value X.Periole
[gmx-users] Making Rigid Structure X.Periole
[gmx-users] Simulation of a part of the system X.Periole
[gmx-users] Simulation of a part of the system X.Periole
[gmx-users] Gromacs installation Xavier
[gmx-users] [Fwd: Request] Yang Ye
[gmx-users] where is the data type t_pargs Zhancheng Zhang
[gmx-users] analysis pressure Lin Zhen
[gmx-users] bpsh problem Lianqing Zheng
[gmx-users] quick question Lianqing Zheng
[gmx-users] bpsh problem Lianqing Zheng
[gmx-users] visualize normal mode Lianqing Zheng
[gmx-users] cell output Lianqing Zheng
[gmx-users] cell output Lianqing Zheng
[gmx-users] bulk modulus Lianqing Zheng
[gmx-users] rigid body again Lianqing Zheng
[gmx-users] rigid body again Lianqing Zheng
[gmx-users] salt bridge distance Lei Zhou
[gmx-users] salt bridge analysis Lei Zhou
[gmx-users] grompp cannot run in version 3.2.1 Qing Zhu
[gmx-users] time effect of including PME calculation Kai Zhuang
[gmx-users] Question regarding installing fftw Kai Zhuang
[gmx-users] Protonation state: CYX HID Kai Zhuang
[gmx-users] system blowing up Kai Zhuang
[gmx-users] simulation shut down: reason unknown Kai Zhuang
[gmx-users] Protonation state: CYX HID Kai Zhuang
[gmx-users] Protonation state: CYX HID Kai Zhuang
[gmx-users] Protonation state: CYX HID Kai Zhuang
[gmx-users] HETATM group "NN 46N FA NO" Kai Zhuang
[gmx-users] trjconv manipulation Kai Zhuang
[gmx-users] long bonds and seperating protein into chains Kai Zhuang
[gmx-users] all atom force field Kai Zhuang
[gmx-users] distance restraints and lincs warning Kai Zhuang
[gmx-users] distance restraints and lincs warning Kai Zhuang
[gmx-users] distance restraints and lincs warning Kai Zhuang
[gmx-users] how to set tolerance for bond formation distance? Kai Zhuang
[gmx-users] how to set tolerance for bond formation distance? Kai Zhuang
[gmx-users] GROMACS on Mac OS X Kai Zhuang
[gmx-users] energy minimization problem Kai Zhuang
[gmx-users] freeze area around ative site Wang Zhun
[gmx-users] T-coupling of water and ion Jian Zou
[gmx-users] T-coupling of water and ion Jian Zou
[gmx-users] T-coupling of water and ion Jian Zou
[gmx-users] water molecule can not be settled, what could be the cause? Jian Zou
[gmx-users] How to create non-standard rediue file in GROMACS? Jian Zou
[gmx-users] (no subject) Jian Zou
[gmx-users] water molecule can not be settled, what could be the cause? Jian Zou
[gmx-users] How to create non-standard rediue file in GROMACS? Jian Zou
[gmx-users] trjconv manipulation Jian Zou
[gmx-users] trjconv manipulation Jian Zou
[gmx-users] Add new atom type Jian Zou
[gmx-users] installation problem aihuaxie
[gmx-users] trjconv warning paloureiro at biof.ufrj.br
[gmx-users] trjconv warning paloureiro at biof.ufrj.br
[gmx-users] Installation problem itai bloch
[gmx-users] bilayer problems and ffG45a itai bloch
[gmx-users] Continue finished job and Smoothing trajectories questions itai bloch
[gmx-users] Continue run after a crush itai bloch
[gmx-users] How constrain specefic regions of a protein anwar at cdfd.org.in
[gmx-users] problem with g_cluster sridhar at cdfd.org.in
[gmx-users] problem with g_cluster sridhar at cdfd.org.in
[gmx-users] how to use mix solvent in gromacs feng chen
[gmx-users] implicity solvention li dawei
[gmx-users] pocket volume mprabha at fiu.edu
[gmx-users] moving from single node to 2 node mdrun hadas
[gmx-users] Re: gmx-users Digest, Vol 14, Issue 31 jaime
[gmx-users] trjconv warning m-hatake at jaist.ac.jp
[gmx-users] trjconv warning m-hatake at jaist.ac.jp
[gmx-users] trjconv warning m-hatake at jaist.ac.jp
[gmx-users] trjconv warning m-hatake at jaist.ac.jp
[gmx-users] mixed water and methanol tutorial run failed junwang
[gmx-users] How to create non-standard rediue file in GROMACS? junwang
[gmx-users] potential energy increases bmbbl at leeds.ac.uk
[gmx-users] Re: potential energy increases bmbbl at leeds.ac.uk
[gmx-users] Free energy perturbation protocol bmbbl at leeds.ac.uk
[gmx-users] No velocities found bmbbl at leeds.ac.uk
[gmx-users] Free energy perturbation protocol bmbbl at leeds.ac.uk
[gmx-users] Fwd: Program aborted bmbbl at leeds.ac.uk
[gmx-users] RE: potential energy increases bmbbl at leeds.ac.uk
[gmx-users] RE: Free energy protocol bmbbl at leeds.ac.uk
[gmx-users] Free energy calculation bmbbl at leeds.ac.uk
[gmx-users] Questions about Visualization sabuj pattanayek
[gmx-users] Questions about Visualization sabuj pattanayek
[gmx-users] Simulated Annealing alagu raj
[gmx-users] eigenvectors visualization gianluca santarossa
[gmx-users] Unable to make .gro file parinald at unsl.edu.ar
[gmx-users] Trajectory analysis vincenzo venditti
[gmx-users] trajectory analysis vincenzo venditti
[gmx-users] Making Rigid Structure leafyoung81-group at yahoo.com
[gmx-users] membrane protein md using gromacs rob yang
[gmx-users] mdrun modified to make a hole in a lipid bilayer rob yang
[gmx-users] opls Ryckaert-Bellemans parameters zjim
[gmx-users] OPLS, pdb2gmx and hydrogen nomenclature 吴显辉
[gmx-users] (no subject) 孔韧
[gmx-users] Questions about Visualization 李猛
[gmx-users] Questions about Visualization 李猛
[gmx-users] mpiBLAST1.3.0 installation problem 王艳宣
[gmx-users] pull.ppa 杭军陆
[gmx-users] all atom force field 이 선주
[gmx-users] RE: all atom force field for a small molecule 이 선주

Last message date: Thu Jun 30 21:38:41 CEST 2005
Archived on: Thu Nov 14 12:01:48 CET 2013

Messages sorted by: [ thread ] [ subject ] [ date ]
More info on this list...

This archive was generated by Pipermail 0.09 (Mailman edition).