June 2005 Archives by thread

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

• [gmx-users] kindly guide me!   Dallas B. Warren
  • [gmx-users] kindly guide me!   Anton Feenstra
• [gmx-users] equilibration & g_rdf   Dallas B. Warren
• [gmx-users] dihedral restraints -- works, but restraint energy 0.000   David Mobley
• [gmx-users] T-coupling of water and ion   Jian Zou
  • [gmx-users] T-coupling of water and ion   David van der Spoel
• [gmx-users] Installation   David van der Spoel
  • [gmx-users] Installation - can I skip auto-vectorization?   Nathan Moore
    • [gmx-users] Installation - can I skip auto-vectorization?   David
      • [gmx-users] Installation - can I skip auto-vectorization?   Nathan Moore
      • [gmx-users] Installation - can I skip auto-vectorization?   Nathan Moore
      • [gmx-users] quick question   Lianqing Zheng
      • [gmx-users] quick question   Anton Feenstra
      • [gmx-users] Installation - can I skip auto-vectorization?   David van der Spoel
      • [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?   David
      • [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?   David van der Spoel
      • [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   David
      • [gmx-users] grompp cpp pre-processor   Nathan Moore
      • [gmx-users] grompp cpp pre-processor   David van der Spoel
      • [gmx-users] grompp cpp pre-processor   Nathan Moore
      • [gmx-users] grompp cpp pre-processor   David van der Spoel
    • [gmx-users] bpsh problem   Lianqing Zheng
      • [gmx-users] bpsh problem   David Mobley
      • [gmx-users] bpsh problem   David
      • [gmx-users] bpsh problem   Lianqing Zheng
• [gmx-users] T-coupling of water and ion   Jian Zou
  • [gmx-users] T-coupling of water and ion   Anton Feenstra
• [gmx-users] T-coupling of water and ion   Jian Zou
  • [gmx-users] Mdrun problems   Farid Sa'Adedin
    • [gmx-users] Mdrun problems   David Mobley
    • [gmx-users] Mdrun problems   Anton Feenstra
      • [gmx-users] Mdrun problems   Farid Sa'Adedin
      • [gmx-users] Mdrun problems   David van der Spoel
• [gmx-users] Performance   M.Naser
  • [gmx-users] Performance   Anton Feenstra
• [gmx-users] Installation problem   itai bloch
  • [gmx-users] Installation problem   David
• [gmx-users] How to apply distance restraints.   David Mobley
• [gmx-users] g_helix question   Zhen Qin
• [gmx-users] g_helix question   Zhen Qin
  • [gmx-users] g_helix question   David
    • [gmx-users] g_helix question   Zhen Qin
• [gmx-users] Re: PME slows down   Jason de Joannis
  • [gmx-users] Re: PME slows down   David van der Spoel
• [gmx-users] quick question   Dallas B. Warren
• [gmx-users] Questions about Visualization   =?gb2312?B?wO4gw80=?=
  • [gmx-users] Questions about Visualization   sabuj pattanayek
    • [gmx-users] Questions about Visualization   =?gb2312?B?wO4gw80=?=
      • [gmx-users] Questions about Visualization   sabuj pattanayek
      • [gmx-users] Questions about Visualization   Maik Goette
• [gmx-users] Questions about Visualization   Dallas B. Warren
• [gmx-users] Re: How to apply distance restraints   Kirti Patel
  • [gmx-users] Re: How to apply distance restraints   David van der Spoel
  • [gmx-users] Re: How to apply distance restraints   David Mobley
• [gmx-users] Possible problem in trxio.c   Claudio J. Margulis
  • [gmx-users] Possible problem in trxio.c   David van der Spoel
• [gmx-users] Why atom types differ!   Prettina Anto_Louis
• [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] 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] Need Help installation for window xp   Lakhani, Ahmed Ashiqali
• [gmx-users] Re: PME slows down   Jason de Joannis
• [gmx-users] How to create topol.tpr   Lakhani, Ahmed Ashiqali
  • [gmx-users] How to create topol.tpr   Derrick Guang Yuh Lee
  • [gmx-users] How to create topol.tpr   Itamar Kass
• [gmx-users] Re: How to apply distance restraint   Kirti Patel
  • [gmx-users] Re: How to apply distance restraint   David
  • [gmx-users] Re: How to apply distance restraint   Uwe Richter
• [gmx-users] help with gromacs   Lakhani, Ahmed Ashiqali
• [gmx-users] fatal error message   Lakhani, Ahmed Ashiqali
  • [gmx-users] fatal error message   David
  • [gmx-users] fatal error message   Derrick Guang Yuh Lee
• [gmx-users] dihedral restraints: Can users or developers help?   David Mobley
• [gmx-users] mixed water and methanol tutorial run failed   junwang
• [gmx-users] How to create non-standard rediue file in GROMACS?   junwang
• [gmx-users] water molecule can not be settled, what could be the cause?   Jian Zou
  • [gmx-users] water molecule can not be settled,what could be the cause?   T.A.Wassenaar
• [gmx-users] (no subject)   =?gb2312?B?v9fIzQ==?=
  • [gmx-users] (no subject)   T.A.Wassenaar
• [gmx-users] Unable to make .gro file   Jeffrey Chua
  • [gmx-users] Unable to make .gro file   T.A.Wassenaar
    • [gmx-users] Unable to make .gro file   parinald at unsl.edu.ar
• [gmx-users] cluster analysis   UCT Staff Member - Jackson
  • [gmx-users] cluster analysis   Anton Feenstra
• [gmx-users] atom not found in rtp   Jozef Hritz
  • [gmx-users] atom not found in rtp   Anton Feenstra
• [gmx-users] eigenvectors visualization   gianluca santarossa
  • [gmx-users] eigenvectors visualization   Berk Hess
• [gmx-users] How to create non-standard rediue file in GROMACS?   Jian Zou
  • [gmx-users] How to create non-standard rediue file in GROMACS?   Daan van Aalten
• [gmx-users] (no subject)   Jian Zou
• [gmx-users] water molecule can not be settled, what could be the cause?   Jian Zou
  • [gmx-users] water molecule can not be settled, what could be the cause?   Anton Feenstra
• [gmx-users] How to create non-standard rediue file in GROMACS?   Jian Zou
• [gmx-users] g-hbond -sel problem   Henrik Rundgren
  • [gmx-users] g-hbond -sel problem   Anton Feenstra
• [gmx-users] Case sensitivity in ff and topology files   Attila Borics
• [gmx-users] pbc, distance between atoms   ARGYRIOS KARATRANTOS
  • [gmx-users] pbc, distance between atoms   David van der Spoel
• [gmx-users] Simulated Annealing   alagu raj
  • [gmx-users] Simulated Annealing   David van der Spoel
• [gmx-users] md.tpr version conflict NEED YOUR HELP!   Vlad Scepanovsky
  • [gmx-users] md.tpr version conflict NEED YOUR HELP!   David
• [gmx-users] TIP4P water shrinks during energy minimization   Valentin Gogonea
  • [gmx-users] TIP4P water shrinks during energy minimization   David
    • [gmx-users] TIP4P water shrinks during energy minimization   Valentin Gogonea
• [gmx-users] "ideal" mdp file for NVE simulation as textbook example   Marc Baaden
  • [gmx-users] "ideal" mdp file for NVE simulation as textbook example   David
    • [gmx-users] "ideal" mdp file for NVE simulation as textbook example   Marc Baaden
      • [gmx-users] "ideal" mdp file for NVE simulation as textbook example   David
      • [gmx-users] "ideal" mdp file for NVE simulation as textbook example   Anton Feenstra
• [gmx-users] time effect of including PME calculation   Kai Zhuang
  • [gmx-users] time effect of including PME calculation   David
• [gmx-users] Minimization Question   Anthony Cruz
  • [gmx-users] Minimization Question   Diego Enry
  • [gmx-users] Minimization Question   Diego Enry
    • [gmx-users] Minimization Question   Anthony Cruz
• [gmx-users] oligosaccharide parametrization   Peter I. Hansen
• [gmx-users] Gromacs Simulation in VMD   Lakhani, Ahmed Ashiqali
  • [gmx-users] Gromacs Simulation in VMD   Nuno R. L. Ferreira
• [gmx-users] gigabit scaling, DPPC benchmark   Jason de Joannis
  • [gmx-users] gigabit scaling, DPPC benchmark   David
  • [gmx-users] gigabit scaling, DPPC benchmark   Diego Enry
    • [gmx-users] gigabit scaling, DPPC benchmark   Christian Burisch
  • [gmx-users] gigabit scaling, DPPC benchmark   Jordi Camps
• [gmx-users] gigabit scaling, DPPC benchmark   Jason de Joannis
  • [gmx-users] gigabit scaling, DPPC benchmark   David
• [gmx-users] Fatal error message   Lakhani, Ahmed Ashiqali
  • [gmx-users] Fatal error message   David
    • [gmx-users] Fatal error message   Anton Feenstra
  • [gmx-users] Fatal error message   Jordi Camps
• [gmx-users] gigabit scaling, DPPC benchmark   Jason de Joannis
  • [gmx-users] gigabit scaling, DPPC benchmark   David
    • [gmx-users] visualize normal mode   Lianqing Zheng
      • [gmx-users] visualize normal mode   Ignacio Rodriguez Fernandez
      • [gmx-users] visualize normal mode   Anton Feenstra
• [gmx-users] gigabit scaling, DPPC benchmark   Jason de Joannis
• [gmx-users] Backslash   Lakhani, Ahmed Ashiqali
  • [gmx-users] Backslash   David van der Spoel
• [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 specified value   X.Periole
• [gmx-users] water temperature 10 to 20 degrees higher than sp ecified value   Moore, Jonathan (J)
  • [gmx-users] cell output   Lianqing Zheng
    • [gmx-users] cell output   David
      • [gmx-users] cell output   Lianqing Zheng
      • [gmx-users] cell output   David
      • [gmx-users] cell output   T.A.Wassenaar
• [gmx-users] a problem with a DNA simulation using the g53a6 forcefield   Kristina Nicole Woods
  • [gmx-users] a problem with a DNA simulation using the g53a6 forcefield   David
• [gmx-users] gigabit scaling, DPPC benchmark   Jason de Joannis
  • [gmx-users] gigabit scaling, DPPC benchmark   David van der Spoel
• [gmx-users] dihedral restraints with CVS version -- has anyone used dihedral restraints? Do they work?   David Mobley
  • [gmx-users] dihedral restraints with CVS version -- has anyone used dihedral restraints? Do they work?   David
    • [gmx-users] bulk modulus   Lianqing Zheng
      • [gmx-users] bulk modulus   David
• [gmx-users] gels   Jair
  • [gmx-users] gels   David
• [gmx-users] salt bridge distance   Lei Zhou
• [gmx-users] Question regarding installing fftw   Michael Homa
  • [gmx-users] Question regarding installing fftw   Nathan Moore
    • [gmx-users] Question regarding installing fftw   Kai Zhuang
  • [gmx-users] Benchmarks   Nathan Moore
    • [gmx-users] Benchmarks   David
      • [gmx-users] Benchmarks   Nathan Moore
      • [gmx-users] Benchmarks   David
      • [gmx-users] Benchmarks   Nathan Moore
      • [gmx-users] Benchmarks   David
  • [gmx-users] Question regarding installing fftw   David
• [gmx-users] gigabit scaling, DPPC benchmark   Jason de Joannis
  • [gmx-users] gigabit scaling, DPPC benchmark   David
    • [gmx-users] gigabit scaling, DPPC benchmark   Marcos Villarreal
      • [gmx-users] gigabit scaling, DPPC benchmark   David
• [gmx-users] [Fwd: Grompp error (no default RB dihedral)]   David
  • [gmx-users] [Fwd: Grompp error (no default RB dihedral)]   David van der Spoel
• [gmx-users] Potential energy increases   Binbin Liu
  • [gmx-users] Potential energy increases   Ken Rotondi
  • [gmx-users] Potential energy increases   David
• [gmx-users] potential energy increases   bmbbl at leeds.ac.uk
  • [gmx-users] potential energy increases   David van der Spoel
• [gmx-users] format for Hessian matrices   Meli Massimiliano
  • [gmx-users] format for Hessian matrices   David van der Spoel
    • [gmx-users] grompp   Nathan Moore
      • [gmx-users] grompp   David van der Spoel
      • [gmx-users] Parallel message passing   Nathan Moore
      • [gmx-users] Parallel message passing   David
      • [gmx-users] Parallel message passing   Nathan Moore
      • [gmx-users] Parallel message passing   David van der Spoel
      • [gmx-users] Parallel message passing   Nathan Moore
      • [gmx-users] Parallel message passing   David van der Spoel
      • [gmx-users] rigid body again   Lianqing Zheng
      • [gmx-users] rigid body again   David van der Spoel
      • [gmx-users] rigid body again   Lianqing Zheng
      • [gmx-users] rigid body again   David van der Spoel
      • [gmx-users] rigid body again   Anton Feenstra
• [gmx-users] [Fwd: hbdist]   David van der Spoel
  • [gmx-users] [Fwd: hbdist]   David
• [gmx-users] How constrain specefic regions of a protein   anwar at cdfd.org.in
  • [gmx-users] cofactor in PDB file   Alok
  • [gmx-users] How constrain specefic regions of a protein   David van der Spoel
• [gmx-users] help with Hessian Matrix again   Meli Massimiliano
• [gmx-users] Gromacs installation   Xavier
  • [gmx-users] Gromacs installation   David van der Spoel
• [gmx-users] Add new atom type   Tandia, Adama
  • [gmx-users] Add new atom type   David
    • [gmx-users] Add new atom type   Anton Feenstra
• [gmx-users] Re: How constrain specefic regions of a protein   Kirti Patel
  • [gmx-users] Re: How constrain specefic regions of a protein   Anton Feenstra
• [gmx-users] potassium   Matteo Masetti
• [gmx-users] [Fwd: Question re: GROMACS units]   David
  • [gmx-users] [Fwd: Question re: GROMACS units]   Anton Feenstra
• [gmx-users] bilayer problems and ffG45a   John Simms
  • [gmx-users] bilayer problems and ffG45a   Itamar Kass
    • [gmx-users] bilayer problems and ffG45a   David
  • [gmx-users] bilayer problems and ffG45a   itai bloch
• [gmx-users] Anisotropic United Atom model and dummy atoms.   Frederic Leroy
  • [gmx-users] Anisotropic United Atom model and dummy atoms.   Anton Feenstra
• [gmx-users] g_energy and mdrun output   UCT Staff Member - Jackson
  • [gmx-users] g_energy and mdrun output   David van der Spoel
    • [gmx-users] g_energy and mdrun output   Anton Feenstra
  • [gmx-users] grompp -np option   Nathan Moore
    • [gmx-users] grompp -np option   Nathan Moore
      • [gmx-users] grompp -np option   Berk Hess
      • [gmx-users] grompp -np option   Nathan Moore
      • [gmx-users] grompp -np option   Berk Hess
      • [gmx-users] grompp -np option   Nathan Moore
      • [gmx-users] grompp -np option   David
      • [gmx-users] .log file documentaion   Nathan Moore
      • [gmx-users] .log file documentaion   David
      • [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   David
      • [gmx-users] Apples-to-Apples comparison for dpcc benchmark   Nathan Moore
      • [gmx-users] Apples-to-Apples comparison for dpcc benchmark   David van der Spoel
      • [gmx-users] Apples-to-Apples comparison for dpcc benchmark   Anton Feenstra
      • [gmx-users] Apples-to-Apples comparison for dpcc benchmark   Nathan Moore
• [gmx-users] Re: gmx-users Digest, Vol 14, Issue 31   jaime
• [gmx-users] pdb2gmx capabilities   Peter I. Hansen
  • [gmx-users] pdb2gmx capabilities   David van der Spoel
    • [gmx-users] pdb2gmx capabilities   Peter I. Hansen
      • [gmx-users] pdb2gmx capabilities   David van der Spoel
• [gmx-users] GROMOS87 force field   Tommy Carstensen
  • [gmx-users] GROMOS87 force field   David van der Spoel
    • [gmx-users] GROMOS87 force field   Anton Feenstra
• [gmx-users] Potassium (again)   Matteo Masetti
  • [gmx-users] Potassium (again)   David van der Spoel
• [gmx-users] Grompp error (no default RB dihedral)   Lakhani, Ahmed Ashiqali
  • [gmx-users] Grompp error (no default RB dihedral)   David
• [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] FEP w/ monovalent ion   David
  • [gmx-users] FEP w/ monovalent ion   Berk Hess
  • [gmx-users] FEP w/ monovalent ion   Berk Hess
• [gmx-users] cofactor in PDB file (again)   Alok
• [gmx-users] Protonation state: CYX HID   Kai Zhuang
  • [gmx-users] Protonation state: CYX HID   David
    • [gmx-users] Protonation state: CYX HID   Jordi Camps
      • [gmx-users] Protonation state: CYX HID   Kai Zhuang
      • [gmx-users] Protonation state: CYX HID   Kai Zhuang
      • [gmx-users] Protonation state: CYX HID   Jordi Camps
      • [gmx-users] Protonation state: CYX HID   Kai Zhuang
      • [gmx-users] Protonation state: CYX HID   Jordi Camps
• [gmx-users] windows version from contribution section or cygwin   John Simms
  • [gmx-users] windows version from contribution section or cygwin   David
• [gmx-users] memory problems with g_hbond   Attilio Vargiu
  • [gmx-users] memory problems with g_hbond   David
    • [gmx-users] memory problems with g_hbond   Attilio Vargiu
      • [gmx-users] memory problems with g_hbond   Anton Feenstra
• [gmx-users] Re: potential energy increases   bmbbl at leeds.ac.uk
• [gmx-users] Free energy perturbation protocol   bmbbl at leeds.ac.uk
• [gmx-users] system blowing up   Kai Zhuang
  • [gmx-users] system blowing up   Anton Feenstra
• [gmx-users] simulation shut down: reason unknown   Kai Zhuang
  • [gmx-users] simulation shut down: reason unknown   David
• [gmx-users] Making Rigid Structure   leafyoung81-group at yahoo.com
  • [gmx-users] Making Rigid Structure   X.Periole
• [gmx-users] No velocities found   bmbbl at leeds.ac.uk
  • [gmx-users] No velocities found   Xavier Periole
• [gmx-users] Missing .trr   Una Bjarnadottir
  • [gmx-users] Missing .trr   David van der Spoel
• [gmx-users] angle force constant in mdp file?   David Mobley
  • [gmx-users] angle force constant in mdp file?   David
    • [gmx-users] angle force constant in mdp file?   Anton Feenstra
• [gmx-users] HETATM group "NN 46N FA NO"   Kai Zhuang
  • [gmx-users] HETATM group "NN 46N FA NO"   Anton Feenstra
• [gmx-users] binary conversion of hessian   Michael Grabe
  • [gmx-users] binary conversion of hessian   David van der Spoel
• [gmx-users] trjconv manipulation   Kai Zhuang
• [gmx-users] trjconv manipulation   Dallas B. Warren
  • [gmx-users] trjconv manipulation   Anton Feenstra
• [gmx-users] Error: mdrun expects it for 1 node   Jeffrey Chua
  • [gmx-users] Error: mdrun expects it for 1 node   David van der Spoel
    • [gmx-users] Re: Error: mdrun expects it for 1 node   Jeffrey Chua
      • [gmx-users] Re: Error: mdrun expects it for 1 node   David van der Spoel
• [gmx-users] hbonds   Christian Schauz
  • [gmx-users] hbonds   Anton Feenstra
• [gmx-users] [Fwd: Request]   David van der Spoel
  • [gmx-users] [Fwd: Request]   Yang Ye
    • [gmx-users] [Fwd: Request]   Alok
• [gmx-users] trjconv manipulation   Jian Zou
  • [gmx-users] trjconv manipulation   Anton Feenstra
• [gmx-users] pull.ppa   =?gb2312?q?=BA=BC=BE=FC=20=C2=BD?=
• [gmx-users] mpiBLAST1.3.0 installation problem   =?gb2312?B?zfXR3tD7?=
• [gmx-users] Re: Error: mdrun expects it for 1 node   VISWANADHA SRIDHARA
• [Fwd: Re: [gmx-users] [Fwd: Grompp error (no default RB dihedral)]]   David
• [gmx-users] Mailing list ethics   David
• [gmx-users] salt bridge analysis   Lei Zhou
  • [gmx-users] salt bridge analysis   David
• [gmx-users] AMD Opteron and CVS Gromacs 061305   Mostyn Lewis
  • [gmx-users] rerun queries   Dilraj Lama
    • [gmx-users] rerun queries   David
      • [gmx-users] rerun queries   Dilraj Lama
• [gmx-users] Continue finished job and Smoothing trajectories questions   itai bloch
  • [gmx-users] Continue finished job and Smoothing trajectories questions   David
• [gmx-users] (no subject)   Michael Grabe
  • [gmx-users] (no subject)   David Mobley
• [gmx-users] Free energy perturbation protocol   bmbbl at leeds.ac.uk
  • [gmx-users] Free energy perturbation protocol   Anton Feenstra
• [gmx-users] Fwd: Program aborted   bmbbl at leeds.ac.uk
• [gmx-users] OPLS Implimentation in GROMACS   Dallas B. Warren
• [gmx-users] trjconv manipulation   Jian Zou
• [gmx-users] RE: potential energy increases   bmbbl at leeds.ac.uk
• [gmx-users] configure gmx on sgi   Marta Beatriz Caldentey
  • [gmx-users] configure gmx on sgi   Haruna Cofer
• [gmx-users] RE: Free energy protocol   bmbbl at leeds.ac.uk
  • [gmx-users] RE: Free energy protocol   Anton Feenstra
• [gmx-users] adding molecules   Dinesh Pinisetty
  • [gmx-users] adding molecules   David van der Spoel
• [gmx-users] Simulation of a part of the system   Monique Brito
  • [gmx-users] Simulation of a part of the system   X.Periole
  • [gmx-users] Simulation of a part of the system   X.Periole
• [gmx-users] grompp fatal error   ARGYRIOS KARATRANTOS
  • [gmx-users] grompp fatal error   David van der Spoel
• [gmx-users] beta hairpin; folding times; discrepancy between experiment and simulations   Y U Sasidhar
  • [gmx-users] beta hairpin; folding times; discrepancy between experiment and simulations   Xavier Periole
• [gmx-users] Add new atom type   Jian Zou
• [gmx-users] SR and LJ energies   Michal Kolinski
  • [gmx-users] SR and LJ energies   Anton Feenstra
• [gmx-users] NMA on Calphas only / Matrix inversion routine in Gromacs ?   Marc Baaden
• [gmx-users] FMNO topology   YOLANDA SMALL
  • [gmx-users] FMNO topology   David
    • [gmx-users] where is the data type t_pargs   Zhancheng Zhang
      • [gmx-users] where is the data type t_pargs   David
• [gmx-users] Continuation of finished job   Gia Maisuradze
  • [gmx-users] Continuation of finished job   David
    • [gmx-users] Continuation of finished job   Gia Maisuradze
      • [gmx-users] Continuation of finished job   David
      • [gmx-users] Continuation of finished job   Gia Maisuradze
      • [gmx-users] Continuation of finished job   David van der Spoel
      • [gmx-users] Continuation of finished job   Anton Feenstra
      • [gmx-users] Continuation of finished job   Gia Maisuradze
• [gmx-users] (no subject)   Ken Rotondi
• [gmx-users] [Fwd: fix the temperature]   David
  • [gmx-users] [Fwd: fix the temperature]   Anton Feenstra
• [gmx-users] FMNO topology   YOLANDA SMALL
  • [gmx-users] FMNO topology   David
  • [gmx-users] FMNO topology   Andrea Carotti
  • [gmx-users] FMNO topology   Anton Feenstra
• [gmx-users] OPLS Implimentation in GROMACS   Dallas B. Warren
  • [gmx-users] OPLS Implimentation in GROMACS   David van der Spoel
• [gmx-users] continuations   Joanne Hanna
  • [gmx-users] continuations   Rainer Böckmann
  • [gmx-users] continuations   David van der Spoel
• [gmx-users] continuations   Joanne Hanna
  • [gmx-users] continuations   David van der Spoel
• [gmx-users] SR and LJ energies   Michal Kolinski
  • [gmx-users] SR and LJ energies   David van der Spoel
• [gmx-users] SR and LJ energies   Michal Kolinski
• [gmx-users] FMNO topology   YOLANDA SMALL
• [gmx-users] long bonds and seperating protein into chains   Kai Zhuang
  • [gmx-users] long bonds and seperating protein into chains   Anton Feenstra
• [gmx-users] FMNO topology   YOLANDA SMALL
• [gmx-users] How do i continue mdrun!   chiloo Laohpongspaisan
  • [gmx-users] How do i continue mdrun!   T.A.Wassenaar
• [gmx-users] Too much Flops for Lennard-Jones   Ignacio Rodriguez Fernandez
  • [gmx-users] Too much Flops for Lennard-Jones   David
• [gmx-users] g_nmens, NMA, normal mode ensemble, nan-coordinates   Tommy Carstensen
• [gmx-users] Segmentation fault   ARGYRIOS KARATRANTOS
  • [gmx-users] Segmentation fault   David
• [gmx-users] Export trajectory file every 20ps of 100ps run   YOLANDA SMALL
• [gmx-users] Export trajectory file every 20ps of 100ps run   Dallas B. Warren
• [gmx-users] problem with g_cluster   sridhar at cdfd.org.in
  • [gmx-users] problem with g_cluster   Anton Feenstra
• [gmx-users] g_dielectric-(Cole-cole)   VISWANADHA SRIDHARA
• [gmx-users] How to generate .ndx file   Kirti Patel
  • [gmx-users] Coul-LR   Nguyen Hoang Phuong
    • [gmx-users] Coul-LR   Anton Feenstra
      • [gmx-users] octahedral box   Nguyen Hoang Phuong
      • [gmx-users] octahedral box   T.A.Wassenaar
  • [gmx-users] How to generate .ndx file   Anton Feenstra
• [gmx-users] Custon ndx   Joanne Hanna
  • [gmx-users] Custon ndx   Anton Feenstra
• [gmx-users] analysis pressure   Lin Zhen
  • [gmx-users] analysis pressure   Simple
    • [gmx-users] OPLS, pdb2gmx and hydrogen nomenclature   Sandeep Somani
• [gmx-users] gromac on FC4 x86_64   Jack Howarth
• [gmx-users] distance restraints and lincs warning   A.Rampioni
  • [gmx-users] distance restraints and lincs warning   Anton Feenstra
    • [gmx-users] distance restraints and lincs warning   Kai Zhuang
    • [gmx-users] distance restraints and lincs warning   A.Rampioni
  • [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   T.A.Wassenaar
• [gmx-users] OPLS, pdb2gmx and hydrogen nomenclature   =?gb2312?B?zuLP1LvU?=
  • [gmx-users] OPLS, pdb2gmx and hydrogen nomenclature   Sandeep Somani
    • [gmx-users] OPLS, pdb2gmx and hydrogen nomenclature   Anton Feenstra
      • [gmx-users] OPLS, pdb2gmx and hydrogen nomenclature   Sandeep Somani
      • [gmx-users] OPLS, pdb2gmx and hydrogen nomenclature   Anton Feenstra
• [gmx-users] Trajectory analysis   vincenzo venditti
• [gmx-users] Re: ED analysis   Anton Feenstra
• [gmx-users] all atom force field   이 선주
  • [gmx-users] all atom force field   Kai Zhuang
• [gmx-users] trjconv warning   m-hatake at jaist.ac.jp
  • [gmx-users] trjconv warning   paloureiro at biof.ufrj.br
    • [gmx-users] trjconv warning   m-hatake at jaist.ac.jp
      • [gmx-users] trjconv warning   paloureiro at biof.ufrj.br
      • [gmx-users] trjconv warning   m-hatake at jaist.ac.jp
      • [gmx-users] trjconv warning   Anton Feenstra
      • [gmx-users] trjconv warning   m-hatake at jaist.ac.jp
      • [gmx-users] Analysis tool tips as I check around   Cetin Baloglu
      • [gmx-users] Analysis tool tips as I check around   Anton Feenstra
• [gmx-users] RE: all atom force field for a small molecule   이 선주
• [gmx-users] Saving trajectories during a dynamics run at a certain time intervals   Rob Carlson
  • [gmx-users] Saving trajectories during a dynamics run at a certain time intervals   Anton Feenstra
• [gmx-users] Question about analysis   Lakhani, Ahmed Ashiqali
• [gmx-users] opls Ryckaert-Bellemans parameters   =?gb2312?B?emppbQ==?=
  • [gmx-users] opls Ryckaert-Bellemans parameters   Frederic Leroy
• [gmx-users] manganese parameters in Gromacs   Luciane V. Mello
  • [gmx-users] manganese parameters in Gromacs   T.A.Wassenaar
• [gmx-users] trajectory analysis   vincenzo venditti
• [gmx-users] how to set tolerance for bond formation distance?   Kai Zhuang
  • [gmx-users] how to set tolerance for bond formation distance?   Uwe Richter
    • [gmx-users] how to set tolerance for bond formation distance?   Anton Feenstra
      • [gmx-users] how to set tolerance for bond formation distance?   Kai Zhuang
      • [gmx-users] how to set tolerance for bond formation distance?   Anton Feenstra
• [gmx-users] installation problem   aihuaxie
• [gmx-users] problem with g_cluster   sridhar at cdfd.org.in
  • [gmx-users] problem with g_cluster   Anton Feenstra
• [gmx-users] manual for Gromacs 3.0.2 needed   Zhao Wei
  • [gmx-users] manual for Gromacs 3.0.2 needed   Anton Feenstra
• [gmx-users] pull code   Attilio
• [gmx-users] Continue run after a crush   itai bloch
  • [gmx-users] Continue run after a crush   Anton Feenstra
• [gmx-users] energy minimization and normal mode analysis (again again probably)   Tommy Carstensen
• [gmx-users] freeze area around ative site   Joanne Hanna
  • [gmx-users] freeze area around ative site   Anton Feenstra
• [gmx-users] freeze area around ative site   Wang Zhun
• [gmx-users] centering DPC micelle   VISWANADHA SRIDHARA
  • [gmx-users] centering DPC micelle   T.A.Wassenaar
• [gmx-users] pull code   Attilio
  • [gmx-users] pull code   Anton Feenstra
    • [gmx-users] pull code   Attilio
  • [gmx-users] pull code   Jens Krüger
    • [gmx-users] pull code   Attilio
  • [gmx-users] pull code   Kay Gottschalk
    • [gmx-users] pull code   Attilio
• [gmx-users] centering DPC micelle   VISWANADHA SRIDHARA
• [gmx-users] How can I install gromacs with gamess-uk?   =?gb2312?B?5bC55L+K?=
  • [gmx-users] How can I install gromacs with gamess-uk?   Cetin Baloglu
• [gmx-users] how to use mix solvent in gromacs   feng chen
• [gmx-users] grompp cannot run in version 3.2.1   Qing Zhu
• [gmx-users] temperature explosion in NVE ensemble   Alex Robertson
  • [gmx-users] Ewald summation   Nguyen Hoang Phuong
• [gmx-users] G5 & G4 compiler options   Tyler Luchko
• [gmx-users] itp file with all hydrogens   Rotem Sertchook
  • [gmx-users] itp file with all hydrogens   Itamar Kass
• [gmx-users] moving from single node to 2 node mdrun   hadas
• [gmx-users] membrane protein md using gromacs   rob yang
  • [gmx-users] membrane protein md using gromacs   Itamar Kass
• [gmx-users] myoglobin   Gregory Ross Bowman
• [gmx-users] pocket volume   mprabha at fiu.edu
  • [gmx-users] pocket volume   Anthony Cruz
• [gmx-users] pocket volume   Anthony Cruz
• [gmx-users] About generating step files   Kirti Patel
• [gmx-users] question about XDR library support   Zhao Wei
• [gmx-users] GROMACS on Mac OS X   Enrico Cattaruzza
  • [gmx-users] GROMACS on Mac OS X   Kai Zhuang
• [gmx-users] Free energy calculation   bmbbl at leeds.ac.uk
• [gmx-users] (no subject)   ARGYRIOS KARATRANTOS
• [gmx-users] Scaling on SGI Altix 3700 Bx2   Dallas B. Warren
  • [gmx-users] Scaling on SGI Altix 3700 Bx2   Haruna Cofer
  • [gmx-users] Scaling on SGI Altix 3700 Bx2   Berk Hess
  • [gmx-users] Scaling on SGI Altix 3700 Bx2   T.A.Wassenaar
• [gmx-users] running g_rms from a script   Michael
• [gmx-users] Pressure   Joanne Hanna
  • [gmx-users] Pressure   Frederic Leroy
• [gmx-users] mdrun modified to make a hole in a lipid bilayer   rob yang
• [gmx-users] Extended run from single to multy processor   Anthony Cruz
• [gmx-users] Potential Energy = nan   ARGYRIOS KARATRANTOS
  • [gmx-users] Potential Energy = nan   Frederic Leroy
• [gmx-users] make_ndx   VISWANADHA SRIDHARA
• [gmx-users] no periodicity in z, very high Temperatures   ARGYRIOS KARATRANTOS
• [gmx-users] implicity solvention   li dawei
• [gmx-users] Boltzmann weighting factor when calculating properties.   Itamar Kass
  • [gmx-users] Boltzmann weighting factor when calculating properties.   Berk Hess
• [gmx-users] AMBER ports available for GROMACS   Eric J. Sorin
  • [gmx-users] ewaldcoeff in ewald.c   Nguyen Hoang Phuong
• [gmx-users] energy minimization problem   Kai Zhuang
• [gmx-users] anadock does not run   Shatadal Ghosh

Last message date: Thu Jun 30 21:38:41 CET 2005
Archived on: Thu Jun 30 21:40:33 CET 2005

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