April 2005 Archives by author

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

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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