July 2006 Archives by date

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Starting: Sat Jul 1 07:05:58 CEST 2006
Ending: Mon Jul 31 23:50:25 CEST 2006
Messages: 544

[gmx-users] g_sas mahbubeh zarrabi
[gmx-users] Constant Volume Simulation. Paul van Maaren
[gmx-users] oplsaa force field Dongsheng Zhang
[gmx-users] mdrun output structure Mark Abraham
[gmx-users] Constant Volume Simulation. Mark Abraham
[gmx-users] Scripting Analysis tools in tcsh Mark Abraham
[gmx-users] Van der Waals: switch attractive term off Mark Abraham
[gmx-users] atom radius. karamyog singh
[gmx-users] Co-ordinates of atoms. karamyog singh
[gmx-users] atom radius. Mark Abraham
[gmx-users] Co-ordinates of atoms. Mark Abraham
[gmx-users] Van der Waals: switch attractive term off Mark Abraham
[gmx-users] MD run end abnormally =?gb2312?B?1vfUwiCjuqOp?=
[gmx-users] MD run end abnormally Mark Abraham
[gmx-users] g_dist Alessandro Mattozzi
[gmx-users] Wrong Diffusion/Compressibility for Coarse-grained Water X.Periole
[gmx-users] grompp problem leila_ayadi at lineone.net
[gmx-users] MD run end abnormally more detailed info =?gb2312?B?1vfUwiCjuqOp?=
[gmx-users] grompp problem jahanshah ashkani
[gmx-users] Scripting Analysis tools in tcsh Olli Lehtonen
[gmx-users] grompp problem leila_ayadi at lineone.net
[gmx-users] LINCS warning Vanessa Oklejas
[gmx-users] oplsaa force field Dongsheng Zhang
[gmx-users] MD run end abnormally more detailed info Mark Abraham
[gmx-users] oplsaa force field Mark Abraham
[gmx-users] LINCS warning Mark Abraham
[gmx-users] MD run end abnormally 主月：）
[gmx-users] MD run end abnormally 主月：）
[gmx-users] MD run end abnormally Mark Abraham
[gmx-users] grompp problem jahanshah ashkani
[gmx-users] Hbond dynamic representation in MD movie raja
[gmx-users] Hbond dynamic representation in MD movie Mark Abraham
[gmx-users] query about protein-ligand complex sangeeta
[gmx-users] query about protein-ligand complex Mark Abraham
[gmx-users] Continuation of Serial MD simulation in Parallel Sridhar Acharya
[gmx-users] Re: MD run end abnormally 主月：）
[gmx-users] Continuation of Serial MD simulation in Parallel Dallas B. Warren
[gmx-users] Continuation of Serial MD simulation in Parallel Sridhar Acharya
[gmx-users] query about protein-ligand complex Tsjerk Wassenaar
[gmx-users] Compiling;Van der Waals: switch attractive term off Alessandro Mattozzi
[gmx-users] Compiling;Van der Waals: switch attractive term off Berk Hess
[gmx-users] problem with g_sas Nguyen Hoang Phuong
[gmx-users] Origin of g_mindist problems located Volker Knecht
[gmx-users] Compiling;Van der Waals: switch attractive term off Alessandro Mattozzi
[gmx-users] g_dist Alessandro Mattozzi
[gmx-users] Compiling;Van der Waals: switch attractive term off Berk Hess
[gmx-users] problem with g_sas Berk Hess
[gmx-users] Compiling;Van der Waals: switch attractive term off Alessandro Mattozzi
[gmx-users] MD continuation runs in serial but not in parallel Sridhar Acharya
[gmx-users] Continuation of Serial MD simulation in Parallel Mark Abraham
[gmx-users] Van der Waals: switch attractive term off Pradip Kumar Biswas
[gmx-users] MD continuation runs in serial but not in parallel Berk Hess
[gmx-users] Fatal error: Atom Au in residue SUF 1 not found in rtp entry with 1 atoms while sorting atoms. Yongqiang Wang
[gmx-users] marc bruning David Mobley
[gmx-users] Van der Waals: switch attractive term off Mark Abraham
[gmx-users] Fatal error: Atom Au in residue SUF 1 not found in rtp entry with 1 atoms while sorting atoms. Mark Abraham
[gmx-users] Van der Waals: switch attractive term off Pradip Kumar Biswas
[gmx-users] Coordinate and topology of TFE Hwankyu Lee
[gmx-users] Van der Waals: switch attractive term off Mark Abraham
[gmx-users] Coordinate and topology of TFE Mark Abraham
[gmx-users] Measuring Atom Distances Javad Azadi
[gmx-users] Measuring Atom Distances Javad Azadi
[gmx-users] Measuring Atom Distances David Mobley
[gmx-users] Measuring Atom Distances Javad Azadi
[gmx-users] Measuring Atom Distances Javad Azadi
[gmx-users] program crashed Dongsheng Zhang
[gmx-users] Measuring Atom Distances Dallas B. Warren
[gmx-users] program crashed Mark Abraham
[gmx-users] Measuring Atom Distances Javad Azadi
[gmx-users] program crashed Dongsheng Zhang
[gmx-users] program crashed Dallas B. Warren
[gmx-users] program crashed Mark Abraham
[gmx-users] Measuring Atom Distances Tsjerk Wassenaar
[gmx-users] OPLS entries Thiophosphate Maik Goette
[gmx-users] Measuring Atom Distances Marcos Villarreal
[gmx-users] Van der Waals: switch attractive term off Alessandro Mattozzi
[gmx-users] Measuring Atom Distances Alessandro Mattozzi
[gmx-users] Langevin dynamics syma
[gmx-users] MD continuation runs in serial but not in parallel Sridhar Acharya
[gmx-users] Langevin dynamics Berk Hess
[gmx-users] Langevin dynamics syma
[gmx-users] Langevin dynamics Berk Hess
[gmx-users] COM motion removal Janne Hirvi
[gmx-users] program crashed Dongsheng Zhang
[gmx-users] COM motion removal Berk Hess
[gmx-users] ITD-Modelling Torsten Stauder
[gmx-users] polyethelenes Zuzana Benkova
[gmx-users] program crashed Dongsheng Zhang
[gmx-users] Measuring Atom Distances Javad Azadi
[gmx-users] Freeze groups karamyog singh
[gmx-users] Error. karamyog singh
[gmx-users] Re: Re: COM motion removal Janne Hirvi
[gmx-users] Error. Mark Abraham
[gmx-users] program crashed Mark Abraham
[gmx-users] ITD-Modelling Mark Abraham
[gmx-users] program crashed Dongsheng Zhang
[gmx-users] program crashed Mark Abraham
[gmx-users] program crashed Dongsheng Zhang
[gmx-users] program crashed Mark Abraham
[gmx-users] program crashed Dallas B. Warren
[gmx-users] program crashed Dongsheng Zhang
[gmx-users] Re: Re: COM motion removal Berk Hess
[gmx-users] ITD-Modelling Torsten Stauder
[gmx-users] Error. karamyog singh
[gmx-users] ITD-Modelling Florian Haberl
[gmx-users] empty energy file kobi
[gmx-users] 4xRE: COM motion removal (further clarification) Janne Hirvi
[gmx-users] Measuring Atom Distances Alessandro Mattozzi
[gmx-users] 4xRE: COM motion removal (further clarification) Berk Hess
[gmx-users] simulation crashed without error information Qing Zhu
[gmx-users] question on thermodynamic integration Manohar Murthi
[gmx-users] question on thermodynamic integration David van der Spoel
[gmx-users] empty energy file Dallas B. Warren
[gmx-users] units for Leonard-Jones parameters in gromacs topology file Vanessa Oklejas
[gmx-users] units for Leonard-Jones parameters in gromacs topology file Mark Abraham
[gmx-users] empty energy file Mark Abraham
[gmx-users] ITD-Modelling Mark Abraham
[gmx-users] changing simulation length with lambda for TI Soren Enemark
[gmx-users] empty energy file kobi
[gmx-users] Output Files Justin M. Shorb
[gmx-users] changing simulation length with lambda for TI David van der Spoel
[gmx-users] Output Files David van der Spoel
[gmx-users] tpr file Dongsheng Zhang
[gmx-users] tpr file Mark Abraham
[gmx-users] high initial temperature with low ref_T Dongsheng Zhang
[gmx-users] high initial temperature with low ref_T Mark Abraham
[gmx-users] high initial temperature with low ref_T Dallas B. Warren
[gmx-users] high initial temperature with low ref_T Dongsheng Zhang
[gmx-users] high initial temperature with low ref_T Dongsheng Zhang
[gmx-users] Is 2D projection Wei Fu
[gmx-users] Is 2D projection Mark Abraham
[gmx-users] PEO polymer Viswanadham Sridhara
[gmx-users] Is 2D projection Alan Dodd
[gmx-users] Is 2D projection Berk Hess
[gmx-users] Is 2D projection Nguyen Hoang Phuong
Sv: [gmx-users] PEO polymer Peter Ahlström
[gmx-users] Locally enhanced sampling Alexandre Suman de Araujo
[gmx-users] PEO polymer Viswanadham Sridhara
Sv: Re: [gmx-users] PEO polymer (Away from my mail/Borta från min post) Peter Ahlström
[gmx-users] high initial temperature with low ref_T Dongsheng Zhang
[gmx-users] Locally enhanced sampling Srivastava, Dhiraj (UMC-Student)
[gmx-users] program crash Dongsheng Zhang
[gmx-users] Error karamyog singh
[gmx-users] dielectric constant ARGYRIOS KARATRANTOS
[gmx-users] Error Dongsheng Zhang
[gmx-users] Error rodrid3 at rpi.edu
[gmx-users] dielectric constant rodrid3 at rpi.edu
[gmx-users] dielectric constant rodrid3 at rpi.edu
[gmx-users] compiling an old gmx version under cygwin Moore, Jonathan (J)
[gmx-users] dielectric constant Mark Abraham
[gmx-users] Generating a PQR file Bob Johnson
[gmx-users] manual suggestion from Argyris Karantrantos Mark Abraham
[gmx-users] compiling an old gmx version under cygwin Mark Abraham
[gmx-users] Error Mark Abraham
[gmx-users] program crash Mark Abraham
[gmx-users] Generating a PQR file Mark Abraham
[gmx-users] Generating a PQR file Mark Abraham
[gmx-users] Generating a PQR file David van der Spoel
[gmx-users] Re: Locally Enhanced Sampling with Gromacs David van der Spoel
[gmx-users] Genereating a PQR file John Kerrigan
[gmx-users] nonbond_params ARGYRIOS KARATRANTOS
[gmx-users] nonbond_params David van der Spoel
[gmx-users] Setting up a random system erwin berthier
[gmx-users] Setting up a random system Mark Abraham
[gmx-users] mdrun vs mdrun_mpi Jack Howarth
[gmx-users] mdrun vs mdrun_mpi Mark Abraham
[gmx-users] Setting up a random system Jay Mashl
[gmx-users] minimum number of atoms required. karamyog singh
[gmx-users] how to interpretate a tpr file Dongsheng Zhang
[gmx-users] use both LJ and buckingham potential for nonbonded potential Dongsheng Zhang
[gmx-users] export hydrogen bond indices per timestep YOLANDA SMALL
[gmx-users] minimum number of atoms required. Yang Ye
[gmx-users] setting up a random system erwin berthier
[gmx-users] setting up a random system Dallas B. Warren
[gmx-users] how to interpretate a tpr file Yang Ye
[gmx-users] setting up a random system X.Periole
[gmx-users] how to interpretate a tpr file Dongsheng Zhang
[gmx-users] minimum number of atoms required. Mark Abraham
[gmx-users] how to interpretate a tpr file Yang Ye
[gmx-users] minimum number of atoms required. karamyog singh
[gmx-users] minimum number of atoms required. karamyog singh
[gmx-users] Re: gmx-users Digest, Vol 27, Issue 30 erwin berthier
[gmx-users] minimum number of atoms required. Mark Abraham
[gmx-users] how to interpretate a tpr file Dongsheng Zhang
[gmx-users] Implemetation of the CHARMM27 ff into gromacs : managment of dihedral terms Nicolas SAPAY
[gmx-users] how to interpretate a tpr file Yang Ye
[gmx-users] Energy profile with umbrella sampling Robert fiske
[gmx-users] changing simulation length with lambda for TI David Mobley
[gmx-users] how to interpretate a tpr file Dongsheng Zhang
[gmx-users] system is exploding!!!!! Akansha Saxena
[gmx-users] about (painful) units conversion Nicolas SAPAY
[gmx-users] about (painful) units conversion Mark Abraham
[gmx-users] Implemetation of the CHARMM27 ff into gromacs : managment of dihedral terms Mark Abraham
[gmx-users] Question about center-of-mass removal Jae Hyun Park
[gmx-users] system is exploding!!!!! Mark Abraham
[gmx-users] Question about center-of-mass removal Mark Abraham
[gmx-users] how to interpretate a tpr file Yang Ye
[gmx-users] Question about center-of-mass removal Jae Hyun Park
[gmx-users] Question about center-of-mass removal Mark Abraham
[gmx-users] Energy profile with umbrella sampling pim lists
[gmx-users] Question about center-of-mass removal Berk Hess
[gmx-users] Energy profile with umbrella sampling Berk Hess
[gmx-users] Question about center-of-mass removal Jae Hyun Park
[gmx-users] high initial temperature with low ref_T Mark Abraham
[gmx-users] REMD merc mertens
[gmx-users] REMD Xavier Periole
[gmx-users] REMD merc mertens
[gmx-users] REMD David van der Spoel
[gmx-users] REMD Xavier Periole
[gmx-users] Advice needed on choosing a VdW cutoff Steven Kirk
[gmx-users] REMD merc mertens
[gmx-users] proper dihedrals ARGYRIOS KARATRANTOS
[gmx-users] REMD X.Periole
[gmx-users] proper dihedrals rodrid3 at rpi.edu
[gmx-users] RE: Bound oxygen molecule Gia Maisuradze
[gmx-users] proper dihedrals Dongsheng Zhang
[gmx-users] Implemetation of the CHARMM27 ff into gromacs : managment of dihedral terms Nicolas SAPAY
[gmx-users] coarse-grained model Dongsheng Zhang
[gmx-users] coarse-grained model Yang Ye
[gmx-users] coarse-grained model Dongsheng Zhang
[gmx-users] atomtype not found Srivastava, Dhiraj (UMC-Student)
[gmx-users] coarse-grained model Yang Ye
[gmx-users] A Better Question - OS X Config Marc Charendoff
[gmx-users] coarse-grained model Dongsheng Zhang
[gmx-users] coarse-grained model Yang Ye
[gmx-users] Advice needed on choosing a VdW cutoff Mark Abraham
[gmx-users] REMD David van der Spoel
[gmx-users] Implemetation of the CHARMM27 ff into gromacs : managment of dihedral terms Mark Abraham
[gmx-users] Re: gmx-users Digest, Vol 27, Issue 35 pim schravendijk
[gmx-users] Re: gmx-users Digest, Vol 27, Issue 35 David van der Spoel
[gmx-users] LJ System (reduced units) PAUL NEWMAN
[gmx-users] Energy profile with umbrella sampling pim schravendijk
[gmx-users] LJ System (reduced units) PAUL NEWMAN
[gmx-users] LJ System (reduced units) Berk Hess
[gmx-users] LJ System (reduced units) Tar files PAUL NEWMAN
[gmx-users] RE: Bound oxygen molecule Anton Feenstra
[gmx-users] LJ System (reduced units) Tar files PAUL NEWMAN
[gmx-users] LJ System (reduced units) Tar files Berk Hess
[gmx-users] LJ System (reduced units) Tar files PAUL NEWMAN
[gmx-users] confused about rcoulomb<=rlist David Mobley
[gmx-users] REMD merc mertens
[gmx-users] confused about rcoulomb<=rlist Berk Hess
[gmx-users] Energy profile with umbrella sampling Robert fiske
[gmx-users] confused about rcoulomb<=rlist David Mobley
[gmx-users] confused about rcoulomb<=rlist Michael Shirts
[gmx-users] compination rule ARGYRIOS KARATRANTOS
[gmx-users] Gromacs on Pathscale/Infiniband? Susan Chacko
[gmx-users] compination rule Yang Ye
[gmx-users] RE: Bound oxygen molecule Gia Maisuradze
[gmx-users] coarse-grained model Dongsheng Zhang
[gmx-users] Gromacs on Pathscale/Infiniband? Mark Abraham
[gmx-users] Re: confused about rcoulomb<=rlist Janne Hirvi
[gmx-users] [Fwd: Gromacs] David van der Spoel
[gmx-users] confused about rcoulomb<=rlist Berk Hess
[gmx-users] REMD David van der Spoel
[gmx-users] Gromacs on Pathscale/Infiniband? David van der Spoel
[gmx-users] compination rule David van der Spoel
[gmx-users] Gromacs on Pathscale/Infiniband? Florian Haberl
[gmx-users] REMD merc mertens
[gmx-users] "XXX" not found in residue topology database mario ciappy
[Fwd: Re: [gmx-users] coarse-grained model] Yang Ye
[gmx-users] Automating g_dist Javad Azadi
[gmx-users] Automating g_dist David Mobley
[gmx-users] Fwd: compination rule ARGYRIOS KARATRANTOS
[gmx-users] Lipid bilayer starting structure Jian Dai
[gmx-users] Fwd: compination rule David van der Spoel
[gmx-users] REMD David van der Spoel
[gmx-users] Buckingham potential ARGYRIOS KARATRANTOS
[gmx-users] Gromacs on Pathscale/Infiniband? pim schravendijk
[gmx-users] program crashes when -table option used Dongsheng Zhang
[gmx-users] program crashes when -table option used Yang Ye
[gmx-users] program crashes when -table option used Dongsheng Zhang
[gmx-users] Buckingham potential David van der Spoel
[gmx-users] program crashes when -table option used David van der Spoel
[gmx-users] program crashes when -table option used Berk Hess
[gmx-users] program crashes when -table option used Berk Hess
[gmx-users] REMD merc mertens
[gmx-users] program crashes when -table option used Dongsheng Zhang
[gmx-users] pdb2gmx error Viswanadham Sridhara
[gmx-users] pH Dhananjay
[gmx-users] pdb2gmx error David van der Spoel
[gmx-users] pH David van der Spoel
[gmx-users] Gromacs on Pathscale/Infiniband? Susan Chacko
[gmx-users] grompp problem - usr archives searched Marc Charendoff
[gmx-users] simulation scattered erwin berthier
[gmx-users] simulation scattered David van der Spoel
[gmx-users] grompp problem - usr archives searched David van der Spoel
[gmx-users] confused about rcoulomb<=rlist Michael Shirts
[gmx-users] linux kernel 2.4 vs 2.6 David L. Bostick
[gmx-users] solvation of protein Srivastava, Dhiraj (UMC-Student)
[gmx-users] GROMACS 3.3.1 installation on SGI (Irix) james zhang
[gmx-users] linux kernel 2.4 vs 2.6 Mark Abraham
[gmx-users] grompp problem - usr archives searched Mark Abraham
[gmx-users] solvation of protein Haberl Florian
[gmx-users] solvation of protein Srivastava, Dhiraj (UMC-Student)
[gmx-users] counterions? Samuel C Flores
[gmx-users] counterions? Ran Friedman
[gmx-users] counterions? Samuel C Flores
[gmx-users] confused about rcoulomb<=rlist Berk Hess
[gmx-users] solvation of protein Tsjerk Wassenaar
[gmx-users] Using g_cluster with Amber trajec. Jamie Tan
[gmx-users] counterions? Ran Friedman
[gmx-users] grompp problem - usr archives searched Berk Hess
[gmx-users] center of mass pulling in AFM Kay Gottschalk
[gmx-users] pressure, pressure coupling, md-simulation Carsten Baldauf
[gmx-users] RMSD for domain Dhananjay
[gmx-users] RMSD for domain Xavier Periole
[gmx-users] REMD merc mertens
[gmx-users] RMSD for domain leafyoung81-group at yahoo.com
[gmx-users] ZN HIS binding Antonio Sergio Kimus Braz
[gmx-users] ZN HIS binding cesar
[gmx-users] ZN HIS binding raja
[gmx-users] Stepsize too small, or no change in energy Srivastava, Dhiraj (UMC-Student)
[gmx-users] ZN HIS binding Ryogo Sugitani
[gmx-users] Stepsize too small, or no change in energy Gale, Ella
[gmx-users] center of mass pulling in AFM Berk Hess
[gmx-users] Problems with g_anaeig! Semen Esilevsky
[gmx-users] Problems with g_anaeig! Florian Haberl
[gmx-users] center of mass pulling in AFM Kay Gottschalk
[gmx-users] pdb2gmx: Amber trajectory conversion Jamie Tan
[gmx-users] Stepsize too small, or no change in energy Jochen Hub
[gmx-users] segmentation fault Dongsheng Zhang
[gmx-users] center of mass pulling in AFM Berk Hess
[gmx-users] center of mass pulling in AFM Kay Gottschalk
[gmx-users] center of mass pulling in AFM Berk Hess
[gmx-users] center of mass pulling in AFM Kay Gottschalk
[gmx-users] MPI gromacs usage Diane Fournier
[gmx-users] Stepsize too small, or no change in energy Pradip Kumar Biswas
[gmx-users] MPI gromacs usage Milan Melichercik
[gmx-users] lincs problems in solvated system Manohar Murthi
[gmx-users] MPI gromacs usage Alan Dodd
[gmx-users] Stepsize too small, or no change in energy Alan Dodd
[gmx-users] MPI gromacs usage Florian Haberl
[gmx-users] problem simulating DNA Manish Datt
[gmx-users] linux kernel 2.4 vs 2.6 David L. Bostick
[gmx-users] Magic Number Error in XTC file - Cannot determine precision of trn file Walter Ash
[gmx-users] Magic number error Walter Ash
[gmx-users] pdb2gmx: Amber trajectory conversion Dallas B. Warren
[gmx-users] MPI gromacs usage Mark Abraham
[gmx-users] pressure, pressure coupling, md-simulation Mark Abraham
[gmx-users] pdb2gmx: Amber trajectory conversion Mark Abraham
[gmx-users] linux kernel 2.4 vs 2.6 Mark Abraham
[gmx-users] g_bond Dongsheng Zhang
[gmx-users] lipid .gro file priyanka srivastava
[gmx-users] lipid .gro file Dallas B. Warren
[gmx-users] g_bond David van der Spoel
[gmx-users] lipid .gro file X.Periole
[gmx-users] Problems with g_anaeig! Semen Esilevsky
[gmx-users] Problems with g_anaeig! David van der Spoel
[gmx-users] Problems with g_anaeig! Semen Esilevsky
[gmx-users] Another question about g_anaeig Semen Esilevsky
[gmx-users] Another question about g_anaeig David van der Spoel
[gmx-users] Another question about g_anaeig Semen Esilevsky
[gmx-users] Another question about g_anaeig Semen Esilevsky
[gmx-users] grompp priyanka srivastava
[gmx-users] g_bond Dongsheng Zhang
[gmx-users] editconf -d Isabella Daidone
[gmx-users] editconf -d rodrid3 at rpi.edu
[gmx-users] Protein rotation in triclinic waterbox Anthony Armstrong
[gmx-users] Protein rotation in triclinic waterbox Anthony Armstrong
[gmx-users] segmentation fault, very high KE but no high velocity Dongsheng Zhang
[gmx-users] Protein rotation in triclinic waterbox Tsjerk Wassenaar
[gmx-users] grompp Dallas B. Warren
[gmx-users] What is this?? Marc Charendoff
[gmx-users] What is this?? David van der Spoel
[gmx-users] segmentation fault, very high KE but no high velocity Berk Hess
[gmx-users] "DPC" not found in residue topology database mario ciappy
[gmx-users] "DPC" not found in residue topology database mario ciappy
[gmx-users] "DPC" not found in residue topology database mario ciappy
[gmx-users] Re: editconf -d Isabella Daidone
[gmx-users] Re: editconf -d X.Periole
[gmx-users] Re: editconf -d Isabella Daidone
[gmx-users] Re: editconf -d X.Periole
[gmx-users] Re: editconf -d David van der Spoel
[gmx-users] problem simulating DNA Maik Goette
[gmx-users] confused about rcoulomb<=rlist Berk Hess
[gmx-users] Bug ? PBC in g_dist JPierre
[gmx-users] confused about rcoulomb<=rlist David van der Spoel
[gmx-users] Benchmarks for woodcrest cpu Florian Haberl
[gmx-users] confused about rcoulomb<=rlist Berk Hess
[gmx-users] segmentation fault, very high KE but no high velocity Dongsheng Zhang
[gmx-users] segmentation fault, very high KE but no high velocity Berk Hess
[gmx-users] segmentation fault, very high KE but no high velocity Dongsheng Zhang
[gmx-users] atom names do not match priyanka srivastava
[gmx-users] atom names do not match David van der Spoel
[gmx-users] atom names do not match priyanka srivastava
[gmx-users] atom names do not match David van der Spoel
[gmx-users] Re: gmx-users Digest, Vol 27, Issue 64 pim schravendijk
[gmx-users] problem in reading parallel mdrun output bharat v. adkar
[gmx-users] ffgmxbon.itp ZN NR5 data Antonio Sergio Kimus Braz
[gmx-users] Fwd: QMMM simulation Pradip Kumar Biswas
[gmx-users] force field parameters/B state dihedrals David Mobley
[gmx-users] generate topology file containing all parameters? David Mobley
[gmx-users] "DPC" not found in residue topology database Dallas B. Warren
[gmx-users] Bug ? PBC in g_dist Dallas B. Warren
[gmx-users] RE: g_h2order Junfang.Zhang at csiro.au
[gmx-users] RE: g_h2order Dallas B. Warren
[gmx-users] RE: g_h2order Junfang.Zhang at csiro.au
[gmx-users] problem in reading parallel mdrun output bharat v. adkar
[gmx-users] Bug ? PBC in g_dist David van der Spoel
[gmx-users] generate topology file containing all parameters? David van der Spoel
[gmx-users] force field parameters/B state dihedrals Berk Hess
[gmx-users] REMD question Joohyun Kim
[gmx-users] REMD question David van der Spoel
[gmx-users] question: negative pressure lugalzagissi
[gmx-users] question: negative pressure David van der Spoel
[gmx-users] problem in reading parallel mdrun output David van der Spoel
[gmx-users] Converting pdb to tpr Samantha Kaye
[gmx-users] Converting pdb to tpr X.Periole
[gmx-users] Converting pdb to tpr Samantha Kaye
[gmx-users] Converting pdb to tpr X.Periole
[gmx-users] corrupt trr file? Samantha Kaye
[gmx-users] corrupt trr file? David van der Spoel
[gmx-users] corrupt trr file? Samantha Kaye
[gmx-users] PMF Calculations Arneh Babakhani
[gmx-users] corrupt trr file? David van der Spoel
[gmx-users] corrupt trr file? Samantha Kaye
[gmx-users] problem in reading parallel mdrun output bharat v. adkar
[gmx-users] REST variant of REMD Anthony Armstrong
[gmx-users] confirming behavior in cases of no default XXX types... David Mobley
[gmx-users] corrupt trr file? David van der Spoel
[gmx-users] confirming behavior in cases of no default XXX types... David van der Spoel
[gmx-users] PMF Calculations David van der Spoel
[gmx-users] REST variant of REMD David van der Spoel
[gmx-users] group by atom type in .GRO ? erwin berthier
[gmx-users] REST variant of REMD rodrid3 at rpi.edu
[gmx-users] Fw: grompp lib/cpp problem rodrid3 at rpi.edu
[gmx-users] REST variant of REMD Mark Abraham
[gmx-users] problem in reading parallel mdrun output bharat v. adkar
[gmx-users] REST variant of REMD Mark Abraham
[gmx-users] corrupt trr file? Samantha Kaye
[gmx-users] Fw: grompp lib/cpp problem David van der Spoel
[gmx-users] corrupt trr file? David van der Spoel
[gmx-users] corrupt trr file? Samantha Kaye
[gmx-users] corrupt trr file? David van der Spoel
[gmx-users] group by atom type in .GRO ? X.Periole
[gmx-users] corrupt trr file? Samantha Kaye
[gmx-users] corrupt trr file? David van der Spoel
[gmx-users] corrupt trr file? Samantha Kaye
[gmx-users] using DSSP outside gromacs raja
[gmx-users] Arbitrary S-S bonds andrea spitaleri
[gmx-users] Arbitrary S-S bonds Nguyen Hoang Phuong
[gmx-users] Re: problem with gromacs on cluster David van der Spoel
[gmx-users] Re: problem with gromacs on cluster Florian Haberl
[gmx-users] parameters for Mn2+ andrea spitaleri
[gmx-users] parameters for Mn2+ lieven at ultr.vub.ac.be
[gmx-users] Arbitrary S-S bonds rodrid3 at rpi.edu
[gmx-users] Arbitrary S-S bonds Cesar Araujo
[gmx-users] generate a pdb file Arindam Ganguly
[gmx-users] The orire_fc Tanping Li
[gmx-users] The orire_fc David Mobley
[gmx-users] The orire_fc Tanping Li
[gmx-users] Problems Installing Gromacs 3.3.1 on AIX 5.2 Arthur Roberts
[gmx-users] [Fwd: Re: problem with gromacs on cluster] David van der Spoel
[gmx-users] problem in reading parallel mdrun output Erik Lindahl
[gmx-users] generate a pdb file David van der Spoel
[gmx-users] Problems Installing Gromacs 3.3.1 on AIX 5.2 David van der Spoel
[gmx-users] Position restraints for a part of the protein pascal.baillod at epfl.ch
[gmx-users] Problems Installing Gromacs 3.3.1 on AIX 5.2 Arthur Roberts
[gmx-users] Problems Installing Gromacs 3.3.1 on AIX 5.2 David van der Spoel
[gmx-users] cu coordinate with his Flavia Autore
[gmx-users] cu coordinate with his Flavia Autore
[gmx-users] cu coordinate with his David van der Spoel
[gmx-users] [Fwd: Re: problem with gromacs on cluster] David van der Spoel
[gmx-users] Position restraints for a part of the protein X.Periole
[gmx-users] cu coordinate with his Flavia Autore
[gmx-users] cu coordinate with his David van der Spoel
[gmx-users] prodrg compilation mprabha at fiu.edu
[gmx-users] Problems Installing Gromacs 3.3.1 on AIX 5.2 Erik Lindahl
[gmx-users] does gromos force field can explain pi-pi interaction Wei Fu
[gmx-users] mpi problems: "topol.tpr made for 2 nodes .." Soren Enemark
[gmx-users] does gromos force field can explain pi-pi interaction David van der Spoel
[gmx-users] The orire_fc David Mobley
[gmx-users] The orire_fc Tanping Li
[gmx-users] does gromos force field can explain pi-pi interaction Diane Fournier
[gmx-users] E-zt ? (Time dependent electric field) Viswanadham Sridhara
[gmx-users] mpi problems: "topol.tpr made for 2 nodes .." Mark Abraham
[gmx-users] does gromos force field can explain pi-pi interaction Gerrit Groenhof (RUG)
[gmx-users] does gromos force field can explain pi-pi interaction X.Periole
[gmx-users] Long range interaction energy of charged particles with PME - GMX 3.3.1 Ran Friedman
[gmx-users] RE: does gromos force field can explain pi-pi interaction Spiwok Vojtech
SV: Re: [gmx-users] mpi problems: "topol.tpr made for 2 nodes .." Soren Enemark
[gmx-users] R.M.S.I.P. calcuation Reg.. raja
[gmx-users] does gromos force field can explain pi-pi interaction pim schravendijk
SV: Re: [gmx-users] mpi problems: "topol.tpr made for 2 nodes .." Mark Abraham
[gmx-users] does gromos force field can explain pi-pi interaction andrea spitaleri
[gmx-users] does gromos force field can explain pi-pi interaction Diane Fournier
[gmx-users] Long range interaction energy of charged particles with PME - GMX 3.3.1 David Mobley
[gmx-users] PMF Calculations Arneh Babakhani
[gmx-users] E-zt ? (Time dependent electric field) David van der Spoel
[gmx-users] PMF Calculations David van der Spoel
[gmx-users] R.M.S.I.P for identical eigenvectors not equal to 1 ? raja
[gmx-users] R.M.S.I.P for identical eigenvectors not equal to 1 ? Tsjerk Wassenaar
[gmx-users] R.M.S.I.P for identical eigenvectors not equal to 1 ? raja
[gmx-users] R.M.S.I.P for identical eigenvectors not equal to 1 ? Tsjerk Wassenaar
[gmx-users] R.M.S.I.P for identical eigenvectors not equal to 1 ? raja
[gmx-users] R.M.S.I.P for identical eigenvectors not equal to 1 ? Tsjerk Wassenaar
[gmx-users] R.M.S.I.P for identical eigenvectors not equal to 1 ? raja
[gmx-users] How to fix the position of Au in my MD. Yongqiang Wang
[gmx-users] R.M.S.I.P. between two halves of same simulation raja
[gmx-users] Script for Gromacs - RunGMX 3.2 Jones de Andrade
[gmx-users] Sodium Channel Viswanadham Sridhara
[gmx-users] grompp is lying... Ken Rotondi
[gmx-users] grompp is lying... leafyoung81-group at yahoo.com
[gmx-users] pdb2gmx residue error Elias Ahadi
[gmx-users] grompp is lying... Oliver Stüker
[gmx-users] Gramicidin A Viswanadham Sridhara
[gmx-users] Gramicidin A X.Periole
[gmx-users] pdb2gmx residue error X.Periole
[gmx-users] mdrun hangs on nodes of P655+ aix 5.2 Arthur Roberts
[gmx-users] R.M.S.I.P. between two halves of same simulation Tsjerk Wassenaar
[gmx-users] Fe(II) at active site raja
[gmx-users] Fe(II) at active site X.Periole
[gmx-users] Fe(II) at active site raja
[gmx-users] Fe(II) at active site X.Periole
[gmx-users] Fe(II) at active site X.Periole
[gmx-users] Fe(II) at active site raja
[gmx-users] Fe - Cys S bonds eramos at cefetba.br
[gmx-users] Fe(II) at active site X.Periole
[gmx-users] Fe - Cys S bonds Tsjerk Wassenaar
[gmx-users] Precision between 32 and 64 bits machines. zazeri
[gmx-users] a standalone xtcio library LI Daobing
[gmx-users] Fe - Cys S bonds eramos at cefetba.br
[gmx-users] an AFM Pulling failed jackyxh at 163.com
[gmx-users] Long range interaction energy of charged particles with PME - GMX 3.3.1 Ran Friedman
[gmx-users] Precision between 32 and 64 bits machines. Milan Melichercik
[gmx-users] Precision between 32 and 64 bits machines. Yang Ye
[gmx-users] mdrun hangs on nodes of P655+ aix 5.2 Arthur Roberts
[gmx-users] mdrun hangs on nodes of P655+ aix 5.2 David van der Spoel
[gmx-users] mdrun hangs on nodes of P655+ aix 5.2 Erik Lindahl
[gmx-users] mdrun hangs on nodes of P655+ aix 5.2 Carsten Kutzner
[gmx-users] langevin dynamics syma
[gmx-users] Disulphide bonds Alan Dodd
[gmx-users] langevin dynamics Gerrit Groenhof (RUG)
[gmx-users] Re: It consults in Gromacs (Carolina, Venezuela) David van der Spoel
[gmx-users] langevin dynamics David Mobley
[gmx-users] Segmentation fault in Gromacs parallel run Ge Sunny
[gmx-users] problem using pairtypes 2, 3 for free-energy decoupling Alexey Shaytan
[gmx-users] Segmentation fault in Gromacs parallel run Ge Sunny
[gmx-users] g_rdf and structure factor =?gb2312?b?wO61wrL9?=
[gmx-users] a standalone xtcio library David van der Spoel
[gmx-users] Disulphide bonds David van der Spoel
[gmx-users] Deshuffling atoms vs. residues Jerome Henin
[gmx-users] g_sdf Hwankyu Lee

Last message date: Mon Jul 31 23:50:25 CEST 2006
Archived on: Mon Jul 31 23:56:32 CEST 2006

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