April 2005 Archives by thread

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Starting: Fri Apr 1 01:24:36 CEST 2005
Ending: Sat Apr 30 09:59:29 CEST 2005
Messages: 250

• [gmx-users] g_gyrate   Nancy Deng
  • [gmx-users] g_gyrate   David van der Spoel
    • [gmx-users] g_gyrate   Nancy Deng
      • [gmx-users] g_gyrate   David
  • [gmx-users] trajectory movie   Nancy Deng
    • [gmx-users] trajectory movie   David
      • [gmx-users] trajectory movie   Marc F. Lensink
• [gmx-users] compile gromacs and fftw using PGI compiler   Jian Zou
• [gmx-users] box size   Michal Kolinski
• [gmx-users] compile mdrun parallel version   Jozef Hritz
  • [gmx-users] compile mdrun parallel version   Haberl Florian
• [gmx-users] Assigning OPLS-AA atom types to new ligands   Shang-Te Danny Hsu
  • [gmx-users] Assigning OPLS-AA atom types to new ligands   David
• [gmx-users] Re: g_gyrate   Linda
  • [gmx-users] Re: g_gyrate   David
• [gmx-users] Addition of Energy Term   David
• [gmx-users] segmentation fault message with g_hbond   David
• [gmx-users] Satellite meeting on Molecular Modeling   Marc Baaden
• [gmx-users] trjconv   Jian Zou
  • [gmx-users] trjconv   Nuno R. L. Ferreira
• [gmx-users] trjconv   Jian Zou
  • [gmx-users] trjconv   Nuno R. L. Ferreira
• [gmx-users] trjconv   Jian Zou
• [gmx-users] David, questions about a polarized model.   xieyh at hkusua.hku.hk
• [gmx-users] VCM   Michal Kolinski
  • [gmx-users] VCM   David
    • [gmx-users] VCM   Erik Lindahl
• [gmx-users] Jean-Marc Denis/FR/BULL is out of the office   Jean-Marc.Denis at bull.net
• [gmx-users] Jean-Marc Denis/FR/BULL is out of the office   Jean-Marc.Denis at bull.net
• Re: [gmx-users] trjconv   zjim
• Re: [gmx-users] trjconv   zjim
  • [gmx-users] pbc   Nancy Deng
    • [gmx-users] pbc   Nuno R. L. Ferreira
• [gmx-users] Thymine-TOP and Force field parameters   chandran karunakaran
  • [gmx-users] Thymine-TOP and Force field parameters   Maik Goette
• [gmx-users] Solvents   Anthony Cruz
  • [gmx-users] Solvents   Nuno R. L. Ferreira
  • [gmx-users] Solvents   Dallas Warren
• [gmx-users] VCM   Michal Kolinski
  • [gmx-users] VCM   Erik Lindahl
  • [gmx-users] VCM   David van der Spoel
• [gmx-users] Time-dependent distance restraints   Oleg V. Stroganov
  • [gmx-users] Time-dependent distance restraints   David
• [gmx-users] g_covar for many large runs   Sichun Yang
  • [gmx-users] g_covar for many large runs   David
    • [gmx-users] g_covar for many large runs   Sichun Yang
      • [gmx-users] g_covar for many large runs   David
      • [gmx-users] g_covar for many large runs   T.A.Wassenaar
• [gmx-users] parallel run problem   Ramachandra Rao Gullapalli
  • [gmx-users] parallel run problem   David
• [gmx-users] MD on part of protein   deepa rajamani
  • [gmx-users] MD on part of protein   David
• [gmx-users] mdrun -multi ???   Selvakumar
  • [gmx-users] mdrun -multi ???   David
• [gmx-users] (no subject)   yonglin
  • [gmx-users] (no subject)   David van der Spoel
• [gmx-users] Energy min ion problems   Ken Rotondi
• [gmx-users] Forces and derivatives   Ken Rotondi
  • [gmx-users] Forces and derivatives   David
• [gmx-users] Explicitly defined nonbonded LJ pair terms?   Michael Shirts
  • [gmx-users] Explicitly defined nonbonded LJ pair terms?   Paul van Maaren
• [gmx-users] peptide attached with a linker   purohit at iitk.ac.in
  • [gmx-users] peptide attached with a linker   David
  • [gmx-users] peptide attached with a linker   Ismael
• [gmx-users] combining files   Dinesh Pinisetty
  • [gmx-users] combining files   Heikki Käsnänen
• [gmx-users] combining files   Dallas B. Warren
• [gmx-users] reduced units   aneamtu at iasi.mednet.ro
• [gmx-users] gromos-topology-benzene   acorrea at unisa.it
• [gmx-users] [Fwd: Topology for sugar molecules!]   David van der Spoel
• [gmx-users] Re: Fatal error   ARGYRIOS KARATRANTOS
• [gmx-users] convergence monitor   Samuel Flores
  • [gmx-users] convergence monitor   Marc Baaden
• [gmx-users] farnesyl   Michal Kolinski
• [gmx-users] VCM   Michal Kolinski
• [gmx-users] gromacs hanging at end of parallel run   J Kendrick
  • [gmx-users] gromacs hanging at end of parallel run   David van der Spoel
• [gmx-users] interaction with walls in non-pbc system   Milton Taidi Sonoda
  • [gmx-users] interaction with walls in non-pbc system   David van der Spoel
• [gmx-users] bond types in OPLS   balamurugan r
• [gmx-users] problem with cluster   Nguyen Hoang Phuong
  • [gmx-users] problem with cluster   Pietro Lopriore
  • [gmx-users] problem with cluster   David van der Spoel
  • [gmx-users] problem with cluster   Yang Ye
• [gmx-users] Wild ffgmx forcefield   Binbin Liu
• [gmx-users] Overriding "genpairs=yes" default for one specific molecule? Possible?   Walter Ash
  • [gmx-users] Overriding "genpairs=yes" default for one specific molecule? Possible?   David
• [gmx-users] trjconv   Dinesh Pinisetty
  • [gmx-users] trjconv   David
• [gmx-users] Perturbation of HISB to HISH   Binbin Liu
• [gmx-users] Regrading trn file and CPU usage   Itamar Kass
  • [gmx-users] Regrading trn file and CPU usage   David
• [gmx-users] grompp error   Emma Terama
  • [gmx-users] grompp error   David van der Spoel
• [gmx-users] g_dipoles, a bug?   xieyh at hkusua.hku.hk
  • [gmx-users] g_dipoles, a bug?   David van der Spoel
    • [gmx-users] g_dipoles, a bug?   Berk Hess
• [gmx-users] g_dipoles, a bug?   xieyh at hkusua.hku.hk
  • [gmx-users] g_dipoles, a bug?   David
• [gmx-users] g_dipoles, a bug?   xieyh at hkusua.hku.hk
  • [gmx-users] g_dipoles, a bug?   David
• [gmx-users] g_dipoles, a bug?   VISWANADHA SRIDHARA
  • [gmx-users] g_dipoles, a bug?   David
    • [gmx-users] TUTORIAL FOR DRUG-ENZYME COMPLEX   Vlad Scepanovsky
      • [gmx-users] TUTORIAL FOR DRUG-ENZYME COMPLEX   T.A.Wassenaar
• [gmx-users] Re: Overriding "genpairs=yes" default for one specific molecule?   Walter Ash
  • [gmx-users] Re: Overriding "genpairs=yes" default for one specific molecule?   David
• [gmx-users] Re: Overriding "genpairs=yes" default for one specific molecule?   Walter Ash
  • [gmx-users] Re: Overriding "genpairs=yes" default for one specific molecule?   David
• [gmx-users] gain the force field parameter by quantum mechanics calculation   zjim
  • [gmx-users] gain the force field parameter by quantum mechanics calculation   David
• [gmx-users] g_dipoles, a bug?   xieyh at hkusua.hku.hk
  • [gmx-users] g_dipoles, a bug?   David
• [gmx-users] g_dipoles, a bug?   xieyh at hkusua.hku.hk
  • [gmx-users] g_dipoles, a bug?   David
• [gmx-users] MDrun error   chandran karunakaran
• [gmx-users] rlist   Alan Wilter Sousa da Silva
• [gmx-users] MDrun error   Dallas B. Warren
• [gmx-users] how to modify opls force field   Dongsheng Zhang
• Re: [gmx-users] how to modify opls force field   zjim
• Re: [gmx-users] how to modify opls force field   zjim
• Re: Re: [gmx-users] gain the force field parameter by quantum mechanics calculation   zjim
  • [gmx-users] gain the force field parameter by quantum mechanics calculation   David van der Spoel
• [gmx-users] Gromacs manual 3.2 link is not properly working   hseara at netscape.net
• [gmx-users] solvent molecules between protein-peptide complex   Alok
  • [gmx-users] solvent molecules between protein-peptide complex   Marc F. Lensink
• [gmx-users] Box dimension-Mdrun   chandran karunakaran
• [gmx-users] Converting from AMBER to GROMACS   Jordi Camps
• [gmx-users] RE: Converting from AMBER to GROMACS   Jordi Camps
  • [gmx-users] RE: Converting from AMBER to GROMACS   Erik Lindahl
    • [gmx-users] RE: Converting from AMBER to GROMACS   Jordi Camps
      • [gmx-users] RE: Converting from AMBER to GROMACS   Erik Lindahl
  • [gmx-users] RE: Converting from AMBER to GROMACS   David
    • [gmx-users] RE: Converting from AMBER to GROMACS   Jordi Camps
      • [gmx-users] RE: Converting from AMBER to GROMACS   David van der Spoel
• [gmx-users] MD on a protein region   deepa rajamani
• [gmx-users] Help: Analysis large interdomain motion   Zhenting Gao
  • [gmx-users] Help: Analysis large interdomain motion   T.A.Wassenaar
    • [gmx-users] Help: Analysis large interdomain motion   Oliver Beckstein
  • [gmx-users] Help: Analysis large interdomain motion   Karsten Suhre
• [gmx-users] how to choose -beginfit for g_msd?   Shang-Te Danny Hsu
  • [gmx-users] how to choose -beginfit for g_msd?   David van der Spoel
• [gmx-users] energy units   Michal Kolinski
  • [gmx-users] energy units   David van der Spoel
• [gmx-users] energy units   Michal Kolinski
  • [gmx-users] energy units   Steven Spronk
• [gmx-users] Re : Converting from AMBER to GROMACS   Michel Cuendet
• [gmx-users] RE: Converting from AMBER to GROMACS   Michel Cuendet
  • [gmx-users] RE: Converting from AMBER to GROMACS   Jordi Camps
• [gmx-users] What is LJ (SR)   Andrea Robben
• [gmx-users] Fw: LJ-14   strony_w_w_w at op.pl
• [gmx-users] What is LJ (SR)   Dallas B. Warren
• [gmx-users] LJ-14   strony_w_w_w at op.pl
  • [gmx-users] LJ-14   David van der Spoel
• [gmx-users] lateral diffusion   Arvid Soderhall
• [gmx-users] potential energy   Michal Kolinski
• [gmx-users] g_anaeig '-s' option   Sichun Yang
• [gmx-users] Bob Arenburg/Austin/IBM is out of the office.   Bob Arenburg
• [gmx-users] editconf errors for isoleucine residue   YOLANDA SMALL
  • [gmx-users] editconf errors for isoleucine residue   David van der Spoel
• [gmx-users] Re: gmx-users   YOLANDA SMALL
  • [gmx-users] Re: gmx-users   David van der Spoel
• [gmx-users] Re: gmx-users   YOLANDA SMALL
  • [gmx-users] Re: gmx-users   David
• [gmx-users] error installing fftw-2.15 with mpi in ia64 system   Jesus Salgado
  • [gmx-users] error installing fftw-2.15 with mpi in ia64 system   David
  • [gmx-users] error installing fftw-2.15 with mpi in ia64 system   Roman Affentranger
    • [gmx-users] error installing fftw-2.15 with mpi in ia64 system   Roman Affentranger
• [gmx-users] simulating ligands attached to a surface...?   Daniel Rigden
  • [gmx-users] simulating ligands attached to a surface...?   T.A.Wassenaar
• [gmx-users] total charge   Lei Zhou
• [gmx-users] trjcad segmentation fault   Sukit Leekumjorn
  • [gmx-users] trjcad segmentation fault   David van der Spoel
    • [gmx-users] trjcad segmentation fault   Sukit Leekumjorn
      • [gmx-users] trjcad segmentation fault   David van der Spoel
• [gmx-users] David, polarization energy   xieyh at hkusua.hku.hk
  • [gmx-users] David, polarization energy   David van der Spoel
• [gmx-users] ligands bound to a surface   Daniel Rigden
  • [gmx-users] ligands bound to a surface   T.A.Wassenaar
• [gmx-users] coulomb energies   Edgar Luttmann
  • [gmx-users] coulomb energies   David
• [gmx-users] Energy minimisation with different water models   Tomek R
  • [gmx-users] Energy minimisation with different water models   David
• [gmx-users] Coulomb-LR for single ion with PME   Steven Spronk
  • [gmx-users] Coulomb-LR for single ion with PME   David
• [gmx-users] Re:Help: Analysis large interdomain motion   Zhenting Gao
  • [gmx-users] Re:Help: Analysis large interdomain motion   David van der Spoel
• [gmx-users] surface as 'freeze group'   Daniel Rigden
• [gmx-users] modelling dna   Ran Friedman
  • [gmx-users] modelling dna   Andrey V. Golovin
• [gmx-users] Excluding 3 bonded neighbours . . .   Michal Kolinski
  • [gmx-users] Excluding 3 bonded neighbours . . .   David van der Spoel
• [gmx-users] dioxane   Anthony Cruz
• [gmx-users] Non-attractive Lennard-Jones   Dahlia Weiss
  • [gmx-users] Non-attractive Lennard-Jones   David van der Spoel
    • [gmx-users] Genpairs   Hector Mtz-Seara
      • [gmx-users] Genpairs   David van der Spoel
    • [gmx-users] Non-attractive Lennard-Jones   Dahlia Weiss
      • [gmx-users] Non-attractive Lennard-Jones   David
• [gmx-users] (no subject)   sridhar at cdfd.org.in
• [gmx-users] David, a question about your shell water model.   xieyh at hkusua.hku.hk
  • [gmx-users] Difference of LO and LOM atoms in lipid.itp for Gromacs force field   Hector Mtz-Seara
    • [gmx-users] Difference of LO and LOM atoms in lipid.itp for Gromacs force field   Hector Mtz-Seara
  • [gmx-users] David, a question about your shell water model.   David van der Spoel
• [gmx-users] David, a question about your shell water model.   xieyh at hkusua.hku.hk
• [gmx-users] Debug Simulation Crash   Yang Ye
• [gmx-users] Gromacs 3.2.1 Lam 7.1.1 fftw 2.1.5   Krewson, Tom
  • [gmx-users] Gromacs 3.2.1 Lam 7.1.1 fftw 2.1.5   David
• [gmx-users] selective temperature coupling   Stephan Dammer
  • [gmx-users] selective temperature coupling   Berk Hess
• [gmx-users] Gromacs 3.2.1 Lam 7.1.1 fftw 2.1.5   Krewson, Tom
  • [gmx-users] Gromacs 3.2.1 Lam 7.1.1 fftw 2.1.5   Avell Diroll
• [gmx-users] Prodrg question.   Michal Kolinski
• [gmx-users] segmentation fault on EM64T   Michel Cuendet
  • [gmx-users] segmentation fault on EM64T   Erik Lindahl
    • [gmx-users] gmx v3.1 vs v3.2   Derrick Guang Yuh Lee
      • [gmx-users] gmx v3.1 vs v3.2   David
      • [gmx-users] gmx v3.1 vs v3.2   Derrick Guang Yuh Lee
      • [gmx-users] gmx v3.1 vs v3.2   David
• [gmx-users] lipid.itp question   Jee E Rim
• [gmx-users] Bond length - prodrg   Michal Kolinski
• [gmx-users] Re: lipid.itp question   Justin MacCallum
  • [gmx-users] Re: lipid.itp question   Jee E Rim
• [gmx-users] Different coulomb energies of protein by Cut-off and PME   Zhiyong Zhang
  • [gmx-users] Different coulomb energies of protein by Cut-off and PME   David
    • [gmx-users] Different coulomb energies of protein by Cut-off and PME   Zhiyong Zhang
      • [gmx-users] Different coulomb energies of protein by Cut-off and PME   David
• [gmx-users] gromacs and openmp   Jesus Salgado
  • [gmx-users] gromacs and openmp   David
• [gmx-users] Enzyme Simulation vacuum, No ligands, Non periodic system   Joanne Hanna
  • [gmx-users] Enzyme Simulation vacuum, No ligands, Non periodic system   David
• [gmx-users] getting internal coordinates for artificial peptide   Chris Gaughan
  • [gmx-users] getting internal coordinates for artificial peptide   David
• [gmx-users] getting internal coordinates for artificial peptide   Cesar Lopez
• [gmx-users] installation error in make_hole   Alok
  • [gmx-users] installation error in make_hole   X.Periole
• [gmx-users] OPLS angles   Prasad Gajula
• [gmx-users] Fwd: Fwd: Open Positions at MolNaC   acorrea at unisa.it
• [gmx-users] rerun   Michal Kolinski
  • [gmx-users] rerun   David van der Spoel
• [gmx-users] Something is wrong with parallel runs   Krewson, Tom
• [gmx-users] asking for help with dual-topology for TI   Lei Zhou
• [gmx-users] PME   Michal Kolinski
• [gmx-users] 1,4 electrostatic interactions   Jee E Rim
  • [gmx-users] 1,4 electrostatic interactions   David
• [gmx-users] mpi error   Mu Yuguang (Dr)
  • [gmx-users] mpi error   David
• [gmx-users] mpi error   Mu Yuguang (Dr)
  • [gmx-users] mpi error   David
• [gmx-users] mpi error   Mu Yuguang (Dr)

Last message date: Sat Apr 30 09:59:29 CEST 2005
Archived on: Thu Nov 14 12:01:36 CET 2013

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