February 2008 Archives by author

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Starting: Fri Feb 1 00:34:15 CEST 2008
Ending: Fri Feb 29 19:29:25 CEST 2008
Messages: 486

[gmx-users] Temperature of the system when using stochastic dynamics in vacuum =?GB2312?B?ubPJ7tbC1LY=?=
[gmx-users] Time step and constraints =?GB2312?B?ubPJ7tbC1LY=?=
[gmx-users] torsion potential with 7 parameters Ángel Piñeiro
[gmx-users] problem regarding insertion of protein into lipidbilayer Stéphane Téletchéa
[gmx-users] Skewed box using Parrinello-Rahman pressure coupling Stéphane Téletchéa
[gmx-users] Skewed box using Parrinello-Rahman pressure coupling Stéphane Téletchéa
[gmx-users] Source code file: gmxfio.c, line: 784 Martin Höfling
[gmx-users] "Lam" is not required for running parallel job Martin Höfling
[gmx-users] Weird structure after minimization (membrane proteinsimulation Mark Abraham
[gmx-users] NOE restraints and undefined hydrogen atoms, virtual interaction sites Mark Abraham
[gmx-users] concatenate tpr file Mark Abraham
[gmx-users] exchanged pairs in the log file of a remd simulation Mark Abraham
[gmx-users] Weird structure after minimization (membrane protein simulation) Mark Abraham
[gmx-users] exchanged pairs in the log file of a remd simulation Mark Abraham
[gmx-users] MD of DNA-protein complex AND non-protein inhibitor Mark Abraham
[gmx-users] Query Mark Abraham
[gmx-users] Periodic Boundary condition Mark Abraham
[gmx-users] How to obtain the temperature from a given trajectory Mark Abraham
[gmx-users] Periodic Boundary condition Mark Abraham
[gmx-users] Source code file: gmxfio.c, line: 784 Mark Abraham
[gmx-users] segmentation fault (wrong settings in mdp file) Mark Abraham
[gmx-users] Change in .gro in grompp Mark Abraham
[gmx-users] pdb2gmx: Adding non standard residues and molecular moieties Mark Abraham
[gmx-users] Re: installation problem for MAC OS Mark Abraham
[gmx-users] Change in .gro in grompp Mark Abraham
[gmx-users] Phosphohistidine parameters Mark Abraham
[gmx-users] g_dist producing inconsistent values Mark Abraham
[gmx-users] Proline on OPLSSaa Mark Abraham
[gmx-users] RAM memory Mark Abraham
[gmx-users] Generate topology file for Gromacs a from Accelrys or pdb file Mark Abraham
[gmx-users] Problem of running double precision with constraint forces by pull code Mark Abraham
[gmx-users] problem regarding protein in water simulation Mark Abraham
[gmx-users] still got the problem with the output of g_cluster Mark Abraham
[gmx-users] about using amb2gmx.pl Mark Abraham
=?GB2312?B?u9i4tKO6IFJlOiBbZ214LXVzZXJzXSBhYm91dCB1c2luZyBhbQ==?= =?GB2312?B?YjJnbXgucGw=?= Mark Abraham
[gmx-users] distance options for g_cluster Mark Abraham
=?GB2312?B?u9i4tKO6IFJlOiC72Li0o7ogUmU6IFtnbXgtdXNlcnNdIGFibw==?= =?GB2312?B?dXQgdXNpbmcgYW1iMmdteC5wbA==?= Mark Abraham
=?GB2312?B?u9i4tKO6IFJlOiC72Li0o7ogUmU6ILvYuLSjuiBSZTogW2dteA==?= =?GB2312?B?LXVzZXJzXSBhYm91dCB1c2luZyBhbWIyZ214LnBs?= Mark Abraham
=?GB2312?B?u9i4tKO6IFJlOiC72Li0o7ogUmU6ILvYuLSjuiBSZTogu9i4tA==?= =?GB2312?B?o7ogUmU6IFtnbXgtdXNlcnNdIGFib3V0IHVzaW5nIGFtYjJnbXgucGw=?= Mark Abraham
=?GB2312?B?u9i4tKO6IFJlOiC72Li0o7ogUmU6ILvYuLSjuiBSZTogu9i4tA==?= =?GB2312?B?o7ogUmU6ILvYuLSBfyBSZTogW2dteC11c2Vyc10gYWJvdXQgdXNpbmcgYW1iMg==?= =?GB2312?B?Z214LnBs?= Mark Abraham
[gmx-users] Loss of GTP in topology file. Mark Abraham
[gmx-users] Lennard Jones spheres Mark Abraham
[gmx-users] Proline on OPLSSaa Mark Abraham
[gmx-users] problem regarding .top file generated by genbox Mark Abraham
[gmx-users] RE:problem regarding .top file generated by genbox Mark Abraham
[gmx-users] Re: gmx-users Digest, Vol 46, Issue 56 Mark Abraham
[gmx-users] Lennard Jones spheres Mark Abraham
[gmx-users] problem in hdb file Mark Abraham
[gmx-users] Lennard Jones spheres Mark Abraham
[gmx-users] DNA adduct simulation: grompp error Mark Abraham
[gmx-users] twin range and switched cutoffs energy differences Mark Abraham
[gmx-users] CHARMM nonbonded parameters and grompp output Mark Abraham
[gmx-users] CHARMM nonbonded parameters and grompp output Mark Abraham
[gmx-users] CHARMM nonbonded parameters and grompp output Mark Abraham
[gmx-users] CHARMM nonbonded parameters and grompp output Mark Abraham
[gmx-users] Color in wheel Mark Abraham
[gmx-users] Selection of multiple residues Mark Abraham
[gmx-users] error in coordinate file Mark Abraham
[gmx-users] problem with exchange probabilities in remd Mark Abraham
[gmx-users] creating trajectory with ligand close to the protein Mark Abraham
[gmx-users] problem regarding pr.mdp file of protein embedded in popc Mark Abraham
[gmx-users] TFE in molecular dynamic Mark Abraham
[gmx-users] Harmonic dihedral restraints Mark Abraham
[gmx-users] g_enemat Mark Abraham
[gmx-users] peptide is going outside of box Mark Abraham
[gmx-users] Average area per lipid Mark Abraham
[gmx-users] MPICH 1.2 vs. GMX 4.0 Mark Abraham
[gmx-users] Merge two trajectories Mark Abraham
[gmx-users] Noe distance restraints Mark Abraham
[gmx-users] Re: merging two trajectory files Mark Abraham
[gmx-users] Noe distance restraints Mark Abraham
[gmx-users] How to ask pdb2gmx to print all parameters in the itp file Mark James Abraham
[gmx-users] Weird structure after minimization (membrane protein simulation) Alok
[gmx-users] angle and dihedral as a function of time Alok
[gmx-users] Pressure Coupling for DPPC Bilayers Sona Aramyan
[gmx-users] Hello Anamika Awasthi
[gmx-users] subscription Anamika Awasthi
[gmx-users] Abnormal fluctuation in RMSD Anamika Awasthi
[gmx-users] abnormal RMSD Anamika Awasthi
[gmx-users] Abnormal RMSD Anamika Awasthi
[gmx-users] abnormal RMSD Anamika Awasthi
[gmx-users] RE: Patch for PME in Free Energy? van Bemmelen
[gmx-users] Strange dgdl-value together with lincs van Bemmelen
[gmx-users] Strange dgdl-value together with lincs van Bemmelen
[gmx-users] Polyethylene Zuzana Benkova
[gmx-users] Polyethylene Zuzana Benkova
[gmx-users] problem in hdb file Zuzana Benkova
[gmx-users] (no subject) Luisa Calvanese
[gmx-users] TFE in molecular dynamic Luisa Calvanese
[gmx-users] TFE in molecular dynamic Luisa Calvanese
[gmx-users] Change in .gro in grompp Caleb Carlin
[gmx-users] Change in .gro in grompp Caleb Carlin
[gmx-users] Re: Weird behavior with Pull code Ilya Chorny
[gmx-users] T-Coupling and COM removal Ilya Chorny
[gmx-users] Strange PDO output during umbrella sampling Ilya Chorny
[gmx-users] Re: Strange PDO output during umbrella sampling Ilya Chorny
[gmx-users] Merge two trajectories Ilya Chorny
[gmx-users] unfolding a protein Siavoush Dastmalchi
[gmx-users] unfolding a protein Siavoush Dastmalchi
[gmx-users] unfolding a protein Siavoush Dastmalchi
[gmx-users] problem with Shake block crossing node boundaries Siavoush Dastmalchi
[gmx-users] problem with genion Siavoush Dastmalchi
[gmx-users] analysis of POPC Alan Dodd
[gmx-users] g_dist producing inconsistent values Alan Dodd
[gmx-users] g_dist producing inconsistent values Alan Dodd
[gmx-users] g_dist producing inconsistent values Alan Dodd
[gmx-users] How to ask pdb2gmx to print all parameters in the itp file Alan Dodd
[gmx-users] TIP5P/TIP4P and OPLS-AA John R. Dowdle
[gmx-users] Average area per lipid Stephen Dutz
[gmx-users] exchanged pairs in the log file of a remd simulation OZGE ENGIN
[gmx-users] exchanged pairs in the log file of a remd simulation OZGE ENGIN
[gmx-users] g_rms , getting rmsd matrix and the histogram of this matrix OZGE ENGIN
[gmx-users] the 2 nd column of the output of g_cluster with -dist option OZGE ENGIN
[gmx-users] the 2 nd column of the output of g_cluster with -dist option OZGE ENGIN
[gmx-users] still got the problem with the output of g_cluster OZGE ENGIN
[gmx-users] still got the problem with the output of g_cluster OZGE ENGIN
[gmx-users] still got the problem with the output of g_cluster OZGE ENGIN
[gmx-users] still got the problem with the output of g_cluster OZGE ENGIN
[gmx-users] there is no enough information about the implementation of both diagonalization and Monte Carlo methods of g_cluster in the manual OZGE ENGIN
[gmx-users] "rmsd distance" and "rmsd deviation" option for the -dista option of g_cluster OZGE ENGIN
[gmx-users] Stanford workshop april 7-8 OZGE ENGIN
[gmx-users] distance options for g_cluster OZGE ENGIN
[gmx-users] distance options for g_cluster OZGE ENGIN
[gmx-users] which type of cysteine residue? OZGE ENGIN
[gmx-users] problem with exchange probabilities in remd OZGE ENGIN
[gmx-users] problem with exchange probabilities in remd OZGE ENGIN
[gmx-users] eigenvalues as a function of time L. Michel Espinoza-Fonseca
[gmx-users] eigenvalues as a function of time L. Michel Espinoza-Fonseca
[gmx-users] eigenvalues as a function of time L. Michel Espinoza-Fonseca
[gmx-users] eigenvalues as a function of time L. Michel Espinoza-Fonseca
[gmx-users] eigenvalues as a function of time L. Michel Espinoza-Fonseca
[gmx-users] cannot do constraint force run in parallel? Nickle Fan
[gmx-users] g_dist producing inconsistent values Patrick Fuchs
[gmx-users] DNA adduct simulation: grompp error Nathalie Geneste
[gmx-users] What Parameters Can Be Analyzes Using Data of .edo File? Anirban Ghosh
[gmx-users] How to take snapshots every 1 nano-sec of a 30 nano-se simulation? Anirban Ghosh
[gmx-users] Rugged dG/dlambda when turning off charges Maik Goette
[gmx-users] MD of DNA-protein complex AND non-protein inhibitor Maik Goette
[gmx-users] Deviations in free energies with slow growth (single and 3-step process) Maik Goette
[gmx-users] FEP : separating components of dgdl Maik Goette
[gmx-users] RE : FEP : separating components of dgdl Maik Goette
[gmx-users] pdb2gmx: Adding non standard residues and molecular moieties Maik Goette
[gmx-users] Deviations in free energies with slow growth (single and 3-step process) Maik Goette
[gmx-users] (no subject) Maik Goette
[gmx-users] toluene tutorial sc-power value Maik Goette
[gmx-users] Strange dgdl-value together with lincs Maik Goette
[gmx-users] Strange dgdl-value together with lincs Maik Goette
[gmx-users] (no subject) Maik Goette
[gmx-users] toluene tutorial sc-power value Maik Goette
[gmx-users] toluene tutorial sc-power value Maik Goette
[gmx-users] toluene tutorial sc-power value Maik Goette
[gmx-users] Strange dgdl-value together with lincs Maik Goette
[gmx-users] Strange dgdl-value together with lincs Maik Goette
[gmx-users] Strange dgdl-value together with lincs Maik Goette
[gmx-users] Best Minimization Protocol for given protein Russell Green
[gmx-users] Abnormal fluctuation in RMSD Florian Haberl
[gmx-users] Re: Dose the GROMOS FF favour beta-sheets? Florian Haberl
[gmx-users] MPICH 1.2 vs. GMX 4.0 Florian Haberl
[gmx-users] RE: RE : FEP : separating components of dgdl Berk Hess
[gmx-users] exchanged pairs in the log file of a remd simulation Berk Hess
[gmx-users] RE: FEP : separating components of dgdl Berk Hess
[gmx-users] How to obtain the temperature from a given trajectory Berk Hess
[gmx-users] RE: RE : FEP : separating components of dgdl Berk Hess
[gmx-users] Temperature of the system when using stochastic dynamics in vacuum Berk Hess
[gmx-users] Skewed box using Parrinello-Rahman pressure coupling Berk Hess
[gmx-users] Skewed box using Parrinello-Rahman pressure coupling Berk Hess
[gmx-users] Strange dgdl-value together with lincs Berk Hess
[gmx-users] Strange dgdl-value together with lincs Berk Hess
[gmx-users] Strange dgdl-value together with lincs Berk Hess
[gmx-users] Strange dgdl-value together with lincs Berk Hess
[gmx-users] Strange dgdl-value together with lincs Berk Hess
[gmx-users] Strange dgdl-value together with lincs Berk Hess
[gmx-users] Skewed box using Parrinello-Rahman pressure coupling Berk Hess
[gmx-users] Free energy for charged molecules with PME Berk Hess
[gmx-users] Selection of multiple residues Berk Hess
[gmx-users] PME grid parameters in large system run in parallel in Gromacs 4 CVS Berk Hess
[gmx-users] cannot do constraint force run in parallel? Berk Hess
[gmx-users] nrexcl 3 or 4 in combination with pairs 1-4 Berk Hess
[gmx-users] "Lam" is not required for running parallel job Jochen Hub
[gmx-users] problem regarding protein in water simulation Jochen Hub
[gmx-users] analysis of POPC Eric Jakobsson
[gmx-users] excluded volume Yin Jian
[gmx-users] Harmonic dihedral restraints Robert Johnson
[gmx-users] Harmonic dihedral restraints Robert Johnson
[gmx-users] Harmonic dihedral restraints Robert Johnson
[gmx-users] Harmonic dihedral restraints Robert Johnson
[gmx-users] Free energy of turning on restraints Robert Johnson
[gmx-users] Free energy of turning on restraints Robert Johnson
[gmx-users] memory requirements Syma Khalid
[gmx-users] memory requirements Syma Khalid
[gmx-users] error in coordinate file Venky Krishna
[gmx-users] selecting multiple groups while using analysis routines like trjconv Marcus Kubitzki
[gmx-users] eigenvalues as a function of time Marcus Kubitzki
[gmx-users] segmentation fault (wrong settings in mdp file) Egidijus Kuprusevicius
[gmx-users] "Lam" is not required for running parallel job Carsten Kutzner
[gmx-users] gmx_alltoall Carsten Kutzner
[gmx-users] MPICH 1.2 vs. GMX 4.0 Carsten Kutzner
[gmx-users] problem about position restrain Daniel Larsson
[gmx-users] PME grid parameters in large system run in parallel in Gromacs 4 CVS Daniel Larsson
[gmx-users] Color in wheel Hwankyu Lee
[gmx-users] How to ask pdb2gmx to print all parameters in the itp file LeeHui
[gmx-users] How to ask pdb2gmx to print all parameters in the itp file LeeHui
[gmx-users] What Parameters Can Be Analyzes Using Data of .edo File? Justin A. Lemkul
[gmx-users] concatenate tpr file Justin A. Lemkul
[gmx-users] Re: help Justin A. Lemkul
[gmx-users] analysis of POPC Justin A. Lemkul
[gmx-users] analysis of POPC Justin A. Lemkul
[gmx-users] fatal error in g_order Justin A. Lemkul
[gmx-users] MD of DNA-protein complex AND non-protein inhibitor Justin A. Lemkul
[gmx-users] fatal error in g_order Justin A. Lemkul
[gmx-users] segmentation fault (wrong settings in mdp file) Justin A. Lemkul
[gmx-users] Change in .gro in grompp Justin A. Lemkul
[gmx-users] itp file for phosphate ion Justin A. Lemkul
[gmx-users] Phosphohistidine parameters Justin A. Lemkul
[gmx-users] Problem with amidation in pdb2gmx Justin A. Lemkul
[gmx-users] Problem with amidation in pdb2gmx Justin A. Lemkul
[gmx-users] Problem with amidation in pdb2gmx Justin A. Lemkul
[gmx-users] Hello Justin A. Lemkul
[gmx-users] adding a polar Hydrogen atom to pdb file Justin A. Lemkul
[gmx-users] Abnormal fluctuation in RMSD Justin A. Lemkul
[gmx-users] problem regarding insertion of protein into lipidbilayer Justin A. Lemkul
[gmx-users] abnormal RMSD Justin A. Lemkul
»Ø¸´£º Re: [gmx-users] about using amb2gmx.pl Justin A. Lemkul
[gmx-users] abnormal RMSD Justin A. Lemkul
[gmx-users] Free Energy Calculations Justin A. Lemkul
[gmx-users] Free Energy Calculations Justin A. Lemkul
»Ø¸´£º Re: »Ø¸´£º Re: »Ø¸´£º Re: »Ø¸´£º Re: [gmx-users] about using amb2gmx.pl Justin A. Lemkul
[gmx-users] Patch for PME in Free Energy? Justin A. Lemkul
[gmx-users] RE: Patch for PME in Free Energy? Justin A. Lemkul
[gmx-users] problem regarding .top file generated by genbox Justin A. Lemkul
[gmx-users] Re: gmx-users Digest, Vol 46, Issue 56 Justin A. Lemkul
[gmx-users] unfolding a protein Justin A. Lemkul
[gmx-users] unfolding a protein Justin A. Lemkul
[gmx-users] Problem regarding tc_grps Justin A. Lemkul
[gmx-users] problem about position restrain Justin A. Lemkul
[gmx-users] Building Topology with all hydrogens Justin A. Lemkul
[gmx-users] CHARMM nonbonded parameters and grompp output Justin A. Lemkul
[gmx-users]build topology file for a molecule define with new residues Justin A. Lemkul
[gmx-users] CHARMM nonbonded parameters and grompp output Justin A. Lemkul
[gmx-users] CHARMM nonbonded parameters and grompp output Justin A. Lemkul
[gmx-users] CHARMM nonbonded parameters and grompp output Justin A. Lemkul
[gmx-users] which type of cysteine residue? Justin A. Lemkul
[gmx-users] problem about Pr.mdp Justin A. Lemkul
[gmx-users] still problem of pr.mdp Justin A. Lemkul
[gmx-users] Concerning DSSP Justin A. Lemkul
[gmx-users] Harmonic dihedral restraints Justin A. Lemkul
[gmx-users] simulation box Justin A. Lemkul
[gmx-users] MD of DNA-protein complex AND non-protein inhibitor Joern Lenz
[gmx-users] Pre-announcement: advanced Gromacs workshop at Stanford April 7-8 Erik Lindahl
[gmx-users] Re: installation problem for MAC OS Erik Lindahl
[gmx-users] Stanford workshop april 7-8 Erik Lindahl
[gmx-users] Stanford workshop april 7-8 Erik Lindahl
[gmx-users] Registration open for Stanford workshop April 7 & 8 Erik Lindahl
[gmx-users] memory requirements Erik Lindahl
[gmx-users] Loss of GTP in topology file. Daniel Adriano Silva M
[gmx-users] gmx_alltoall Anna Marabotti
[gmx-users] (no subject) Jay McAliley
[gmx-users] pbc=full in 3.3.2 Jay McAliley
[gmx-users] pbc=full in 3.3.2 Jay McAliley
[gmx-users] pdb2gmx: Adding non standard residues and molecular moieties Eddie Mende
[gmx-users] itp file for phosphate ion Eddie Mende
[gmx-users] Phosphohistidine parameters Eddie Mende
[gmx-users] FEP : separating components of dgdl BON Michael
[gmx-users] RE : FEP : separating components of dgdl BON Michael
[gmx-users] Re: T-Coupling and COM removal Markus Miettinen
[gmx-users] Deviations in free energies with slow growth (single and 3-step process) David Mobley
[gmx-users] do-dssp David Mobley
[gmx-users] Deviations in free energies with slow growth (single and 3-step process) David Mobley
[gmx-users] Re: free energy calculation David Mobley
[gmx-users] Free Energy Calculations David Mobley
[gmx-users] Free Energy Calculations David Mobley
=?GB2312?B?UmU6ILvYuLSjuiBSZTogu9i4tKO6IFJlOiC72Li0o7ogUmU6ILvYuLSjuiBSZTo=?= =?GB2312?B?IFtnbXgtdXNlcnNdIGFib3V0IHVzaW5nIGFtYjJnbXgucGw=?= David Mobley
[gmx-users] Strange dgdl-value together with lincs David Mobley
[gmx-users] Harmonic dihedral restraints David Mobley
[gmx-users] Harmonic dihedral restraints David Mobley
[gmx-users] Free energy of turning on restraints David Mobley
[gmx-users] RSS feed for gromacs.org? Moore, Jonathan (J)
[gmx-users] How to obtain the temperature from a given trajectory hector Mtz-Seara
[gmx-users] How to obtain the temperature from a given trajectory hector Mtz-Seara
[gmx-users] Free energy for charged molecules with PME Anirban Mudi
[gmx-users] grompp error "Not enough space" on IBM AIX Chris Neale
[gmx-users] non bonded interactions Sheyore Omovie
[gmx-users] non bonded interactions Sheyore Omovie
[gmx-users] non bonded interactions Sheyore Omovie
[gmx-users] twin range and switched cutoffs energy differences David Osguthorpe
[gmx-users] twin range and switched cutoffs energy differences David Osguthorpe
[gmx-users] creating trajectory with ligand close to the protein David Osguthorpe
[gmx-users] creating trajectory with ligand close to the protein David Osguthorpe
[gmx-users] Lennard Jones spheres Chiara Parravicini
[gmx-users] Lennard Jones spheres Chiara Parravicini
[gmx-users] Lennard Jones spheres Chiara Parravicini
[gmx-users] Noe distance restraints Chiara Parravicini
[gmx-users] Noe distance restraints Chiara Parravicini
[gmx-users] Noe distance restraints Chiara Parravicini
[gmx-users] torsion potential with 7 parameters Xavier Periole
[gmx-users] torsion potential with 7 parameters Xavier Periole
[gmx-users] concatenate tpr file Xavier Periole
[gmx-users] non bonded interactions Xavier Periole
[gmx-users] g_rms , getting rmsd matrix and the histogram of this matrix Xavier Periole
[gmx-users] the 2 nd column of the output of g_cluster with -dist option Xavier Periole
[gmx-users] the 2 nd column of the output of g_cluster with -dist option Xavier Periole
[gmx-users] unfolding a protein Xavier Periole
[gmx-users] DNA adduct simulation: grompp error TJ Piggot
[gmx-users] Strange output with Genbox Jens Pohl
[gmx-users] Strange output with Genbox Jens Pohl
[gmx-users] Strange output with Genbox Jens Pohl
[gmx-users] Strange output with Genbox Jens Pohl
[gmx-users] Strange output with Genbox Jens Pohl
[gmx-users] Proline on OPLSSaa Mauro Puppett
[gmx-users] Proline on OPLSSaa Mauro Puppett
[gmx-users] Periodic Boundary condition Yawar Qadri
[gmx-users] Merge two trajectories CHANDRIKA RAO
[gmx-users] GTPgammaS topology Sekar Ramachandran
[gmx-users] QM/MM cpmd Marius Retegan
[gmx-users] gmx-cpmd Marius Retegan
[gmx-users] grompp error "Not enough space" on IBM AIX Marius Retegan
[gmx-users] Periodic Boundary condition Rohit
[gmx-users] Periodic Boundary condition Rohit
[gmx-users] angle and dihedral as a function of time SWAPNA
[gmx-users] Total energy of protein only Yoshiko Santoso
[gmx-users] MPI compilation without shared FFTW libraries Hans Martin Senn
[gmx-users] Phosphohistidine parameters Satyan Sharma
[gmx-users] Phosphohistidine parameters Satyan Sharma
[gmx-users] Concerning DSSP Ricardo Soares
[gmx-users] Concerning DSSP Ricardo Soares
[gmx-users] Concerning DSSP Ricardo Soares
[gmx-users] Concerning DSSP Ricardo Soares
[gmx-users] exchanged pairs in the log file of a remd simulation David van der Spoel
[gmx-users] pdb2gmx: Adding non standard residues and molecular moieties David van der Spoel
[gmx-users] grompp error "Not enough space" on IBM AIX David van der Spoel
[gmx-users] g_dist producing inconsistent values David van der Spoel
[gmx-users] do-dssp David van der Spoel
[gmx-users] Wheter the drift velocity has been removed from calculating the temperature? David van der Spoel
[gmx-users] Re: Wheter the drift velocity has been removed from calculating the temperature? David van der Spoel
[gmx-users] RSS feed for gromacs.org? David van der Spoel
[gmx-users] Strange output with Genbox David van der Spoel
[gmx-users] Strange output with Genbox David van der Spoel
[gmx-users] problem regarding protein in water simulation David van der Spoel
[gmx-users] Does One need to set comm_mode = none for an equilibrium MD to get exact MSD? David van der Spoel
[gmx-users] there is no enough information about the implementation of both diagonalization and Monte Carlo methods of g_cluster in the manual David van der Spoel
[gmx-users] problem with Shake block crossing node boundaries David van der Spoel
[gmx-users] How to take snapshots every 1 nano-sec of a 30 nano-se simulation? David van der Spoel
[gmx-users] CHARMM nonbonded parameters and grompp output David van der Spoel
[gmx-users] problem with exchange probabilities in remd David van der Spoel
[gmx-users] demixing REMD trajectories David van der Spoel
[gmx-users] AGAIN: demixing REMD trajectories David van der Spoel
[gmx-users] AGAIN: demixing REMD trajectories David van der Spoel
[gmx-users] Concerning DSSP David van der Spoel
[gmx-users] Concerning DSSP David van der Spoel
[gmx-users] MPI compilation without shared FFTW libraries David van der Spoel
[gmx-users] cannot do constraint force run in parallel? David van der Spoel
[gmx-users] TIP5P/TIP4P and OPLS-AA David van der Spoel
[gmx-users] GROMACS 3.3.3 released David van der Spoel
[gmx-users] (no subject) David van der Spoel
[gmx-users] protein in water production run David van der Spoel
[gmx-users] Problem with amidation in pdb2gmx Mitchell Stanton-Cook
[gmx-users] Building Topology with all hydrogens Subhrangshu Supakar
[gmx-users] Gro file with more than 99999 atoms Tandia, Adama
[gmx-users] Generate topology file for Gromacs a from Accelrys or pdb file Tandia, Adama
[gmx-users] nrexcl 3 or 4 in combination with pairs 1-4 Claus Valka
[gmx-users] segmentation fault (wrong settings in mdp file) Louic Vermeer
[gmx-users] still problem of pr.mdp Dallas B. Warren
[gmx-users] Change in .gro in grompp Tsjerk Wassenaar
[gmx-users] Gro file with more than 99999 atoms Tsjerk Wassenaar
[gmx-users] (no subject) Tsjerk Wassenaar
[gmx-users] Proline on OPLSSaa Tsjerk Wassenaar
[gmx-users] Hello Tsjerk Wassenaar
[gmx-users] eigenvalues as a function of time Tsjerk Wassenaar
[gmx-users] eigenvalues as a function of time Tsjerk Wassenaar
[gmx-users] abnormal RMSD Tsjerk Wassenaar
[gmx-users] How to ask pdb2gmx to print all parameters in the itp file Tsjerk Wassenaar
[gmx-users] Dose the GROMOS FF favour beta-sheets? Tsjerk Wassenaar
[gmx-users]build topology file for a molecule define with new residues Tsjerk Wassenaar
[gmx-users] Temparature and density Tsjerk Wassenaar
[gmx-users] creating trajectory with ligand close to the protein Tsjerk Wassenaar
[gmx-users] calculating B-factor Bjoern Windshuegel
[gmx-users] Selection of multiple residues Bjoern Windshuegel
[gmx-users] Selection of multiple residues Bjoern Windshuegel
[gmx-users] Re: Warning: pressure scaling more than 1% Wissensbund at gmx.net
[gmx-users] Re: Warning: pressure scaling more than 1% Wissensbund at gmx.net
[gmx-users] Re: WARNING concerning lipid.itp Wissensbund at gmx.net
[gmx-users] Re: installation problem for MAC OS Yiannis
[gmx-users] Re: installation problem for MAC OS Warner Yuen
[gmx-users] Re: installation problem for MAC OS Warner Yuen
[gmx-users] Wheter the drift velocity has been removed from calculating the temperature? Hu Zhongqiao
[gmx-users] Re: Wheter the drift velocity has been removed from calculating the temperature? Hu Zhongqiao
[gmx-users] Does One need to set comm_mode = none for an equilibrium MD to get exact MSD? Hu Zhongqiao
[gmx-users] (no subject) alkasrivastava at iitb.ac.in
[gmx-users] Re: merging two trajectory files alkasrivastava at iitb.ac.in
[gmx-users] (no subject) mahendra awale
[gmx-users] problem regarding protein in water simulation sudheer babu
[gmx-users] problem regarding insertion of protein into lipidbilayer sudheer babu
[gmx-users] problem regarding .top file generated by genbox sudheer babu
[gmx-users] RE:problem regarding .top file generated by genbox sudheer babu
[gmx-users] Re: gmx-users Digest, Vol 46, Issue 56 sudheer babu
[gmx-users] Problem regarding tc_grps sudheer babu
[gmx-users] problem about position restrain sudheer babu
[gmx-users] Re: gmx-users Digest, Vol 46, Issue 67 sudheer babu
[gmx-users] problem regarding pr.mdp file of protein embedded in popc sudheer babu
[gmx-users] problem about Pr.mdp sudheer babu
[gmx-users] Re: gmx-users Digest, Vol 46, Issue 79 sudheer babu
[gmx-users] still problem of pr.mdp sudheer babu
[gmx-users] problem of general velocities sudheer babu
[gmx-users] simulation box sudheer babu
[gmx-users] protein in water production run sudheer babu
[gmx-users] adding atoms in PDB file s lal badshah
[gmx-users] Loss of GTP in topology file. s lal badshah
[gmx-users] error in coordinate file s lal badshah
[gmx-users] concatenate tpr file pragya chohan
[gmx-users] analysis of POPC pragya chohan
[gmx-users] analysis of POPC pragya chohan
[gmx-users] fatal error in g_order pragya chohan
[gmx-users] fatal error in g_order pragya chohan
[gmx-users] calculating B-factor pragya chohan
[gmx-users] calculating B-factor pragya chohan
[gmx-users] Weird structure after minimization (membrane protein simulation) chris.neale at utoronto.ca
[gmx-users] analysis of POPC chris.neale at utoronto.ca
[gmx-users] Re: WARNING concerning lipid.itp chris.neale at utoronto.ca
[gmx-users] Total energy of protein only chris.neale at utoronto.ca
[gmx-users] g_dist producing inconsistent values chris.neale at utoronto.ca
[gmx-users] g_dist producing inconsistent values chris.neale at utoronto.ca
[gmx-users] Re: Total Energy protein only chris.neale at utoronto.ca
[gmx-users] non bonded interactions chris.neale at utoronto.ca
[gmx-users] (no subject) cilpa at users.csc.fi
[gmx-users] toluene tutorial sc-power value cilpa at users.csc.fi
[gmx-users] toluene tutorial sc-power value cilpa at users.csc.fi
[gmx-users] toluene tutorial sc-power value cilpa at users.csc.fi
[gmx-users] toluene tutorial sc-power value cilpa at users.csc.fi
[gmx-users]build topology file for a molecule define with new residues cilpa at users.csc.fi
[gmx-users]build topology file for a molecule define with new residues cilpa at users.csc.fi
[gmx-users] Temparature and density csreddy at ncbs.res.in
[gmx-users] Methanethiosulfonate - amberff dwunnick at uni-osnabrueck.de
[gmx-users] Query rohit gole
[gmx-users] Selection of multiple residues maria goranovic
[gmx-users] Selection of multiple residues maria goranovic
[gmx-users] To know about constant stress ensemble shankari hariharan
[gmx-users] QM/MM cpmd jacopo.sgrignani at unifi.it
[gmx-users] gmx-cpmd jacopo.sgrignani at unifi.it
[gmx-users] MD of DNA-protein complex AND non-protein inhibitor jlenz
[gmx-users] selecting multiple groups while using analysis routines like trjconv himanshu khandelia
[gmx-users] adding a polar Hydrogen atom to pdb file kinshuk at chem.iitb.ac.in
[gmx-users] peptide is going outside of box kinshuk at chem.iitb.ac.in
[gmx-users] demixing REMD trajectories madeleine.kittner at mpikg.mpg.de
[gmx-users] AGAIN: demixing REMD trajectories madeleine.kittner at mpikg.mpg.de
[gmx-users] AGAIN: demixing REMD trajectories madeleine.kittner at mpikg.mpg.de
[gmx-users] Re: AGAIN: demixing REMD trajectories madeleine.kittner at mpikg.mpg.de
[gmx-users] non bonded interactions mark.abraham at anu.edu.au
[gmx-users] GMX compilation with "--enable-threads" mark.abraham at anu.edu.au
[gmx-users] GMX compilation with "--enable-threads" mark.abraham at anu.edu.au
[gmx-users] adding atoms in PDB file mark.abraham at anu.edu.au
[gmx-users] "Lam" is not required for running parallel job mark.abraham at anu.edu.au
[gmx-users] "Lam" is not required for running parallel job mark.abraham at anu.edu.au
[gmx-users] Strange output with Genbox mark.abraham at anu.edu.au
[gmx-users] Strange output with Genbox mark.abraham at anu.edu.au
[gmx-users] still got the problem with the output of g_cluster mark.abraham at anu.edu.au
[gmx-users] still got the problem with the output of g_cluster mark.abraham at anu.edu.au
[gmx-users] problem of general velocities mark.abraham at anu.edu.au
[gmx-users] unfolding a protein mon_sharma at research.iiit.ac.in
[gmx-users] problem with structure factor in g_rdf jagannath mondal
[gmx-users] g_enemat msvijayabaskar at aol.in
[gmx-users] Dose the GROMOS FF favour beta-sheets? pascal.baillod at epfl.ch
[gmx-users] Re: Dose the GROMOS FF favour beta-sheets? pascal.baillod at epfl.ch
[gmx-users] Skewed box using Parrinello-Rahman pressure coupling reich at mpikg.mpg.de
[gmx-users] Skewed box using Parrinello-Rahman pressure coupling reich at mpikg.mpg.de
[gmx-users] Problem with amidation in pdb2gmx s4026869 at student.uq.edu.au
[gmx-users] Merge two trajectories sharada
[gmx-users] Merge two trajectories sharada
[gmx-users] "Lam" is not required for running parallel job sunita at chem.iitb.ac.in
[gmx-users] "Lam" is not required for running parallel job sunita at chem.iitb.ac.in
[gmx-users] "Lam" is not required for running parallel job sunita at chem.iitb.ac.in
[gmx-users] Source code file: gmxfio.c, line: 784 vijay kumar hinge vijay
[gmx-users] RE:Source code file: gmxfio.c, line: 784 vijay kumar hinge vijay
[gmx-users] Problem of running double precision with constraint forces by pull code wendung at umich.edu
[gmx-users] Problem in constraint force pulling wendung at umich.edu
[gmx-users] GMX compilation with "--enable-threads" yren at home.ipe.ac.cn
[gmx-users] GMX compilation with "--enable-threads" yren at home.ipe.ac.cn
[gmx-users] MPICH 1.2 vs. GMX 4.0 yren at home.ipe.ac.cn
[gmx-users] RAM memory zazeri
[gmx-users] RAM memory zazeri
[gmx-users] about using amb2gmx.pl xi zhao
=?gb2312?q?=BB=D8=B8=B4=A3=BA=20Re:=20[gmx-users]=20about=20using=20amb2g?= =?gb2312?q?mx.pl?= xi zhao
=?gb2312?q?=BB=D8=B8=B4=A3=BA=20Re:=20=BB=D8=B8=B4=A3=BA=20Re:=20[gmx-use?= =?gb2312?q?rs]=20about=20using=20amb2gmx.pl?= xi zhao
=?gb2312?q?=BB=D8=B8=B4=A3=BA=20Re:=20=BB=D8=B8=B4=A3=BA=20Re:=20=BB=D8?= =?gb2312?q?=B8=B4=A3=BA=20Re:=20[gmx-users]=20about=20using=20amb2gmx.pl?= xi zhao
=?gb2312?q?=BB=D8=B8=B4=A3=BA=20Re:=20=BB=D8=B8=B4=A3=BA=20Re:=20=BB=D8?= =?gb2312?q?=B8=B4=A3=BA=20Re:=20=BB=D8=B8=B4=A3=BA=20Re:=20[gmx-users]=20ab?= =?gb2312?q?out=20using=20amb2gmx.pl?= xi zhao
=?gb2312?q?=BB=D8=B8=B4=A3=BA=20Re:=20=BB=D8=B8=B4=A3=BA=20Re:=20=BB=D8?= =?gb2312?q?=B8=B4=A3=BA=20Re:=20=BB=D8=B8=B4=A3=BA=20Re:=20=BB=D8=B8=B4=A3?= =?gb2312?q?=BA=20Re:=20[gmx-users]=20about=20using=20amb2gmx.pl?= xi zhao
=?gb2312?q?=BB=D8=B8=B4=A3=BA=20Re:=20=BB=D8=B8=B4=A3=BA=20Re:=20=BB=D8?= =?gb2312?q?=B8=B4=A3=BA=20Re:=20=BB=D8=B8=B4=A3=BA=20Re:=20=BB=D8=B8=B4=A3?= =?gb2312?q?=BA=20Re:=20[gmx-users]=20about=20using=20amb2gmx.pl?= xi zhao

Last message date: Fri Feb 29 19:29:25 CEST 2008
Archived on: Fri Feb 29 19:36:54 CEST 2008

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