July 2009 Archives by author

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Starting: Wed Jul 1 02:04:24 CEST 2009
Ending: Fri Jul 31 23:47:56 CEST 2009
Messages: 721

[gmx-users] GMX Installation Mark Abraham
[gmx-users] Table Functions Mark Abraham
[gmx-users] How to avoid generating wrong dihedrals?(Tsjerk) Mark Abraham
[gmx-users] make index group Mark Abraham
[gmx-users] How to set fourierspacing? Mark Abraham
[gmx-users] GMX-Installation2 Mark Abraham
[gmx-users] Segmentation Fault (Address not mapped) Mark Abraham
[gmx-users] long-bond warning during running Mark Abraham
[gmx-users] Fast energy parameter Mark Abraham
[gmx-users] Problem with user-defined potentials Mark Abraham
[gmx-users] process getting killed Mark Abraham
[gmx-users] Doxygen Mark Abraham
[gmx-users] Segmentation Fault (Address not mapped) Mark Abraham
[gmx-users] Shift electrostatic summation Mark Abraham
[gmx-users] g_energy=> Different Average values? Mark Abraham
[gmx-users] Re: g_energy=> Different Average values? Mark Abraham
[gmx-users] Convert trr into crd (amber format) Mark Abraham
[gmx-users] Water atoms cannot be settled Mark Abraham
[gmx-users] pdb atom nomenclature Mark Abraham
[gmx-users] no. of atoms in PDB doesnt match topology file Mark Abraham
[gmx-users] about ff parameters Mark Abraham
[gmx-users] Water atoms cannot be settled Mark Abraham
[gmx-users] Lennard Jones + Buck'ham Mark Abraham
[gmx-users] epsion_surface Mark Abraham
[gmx-users] protein topology file with some substitutions by other founction groups Mark Abraham
[gmx-users] large pressure Mark Abraham
[gmx-users] [ pairs_nb ] Mark Abraham
[gmx-users] Generating solvent topology using pdb2gmx Mark Abraham
[gmx-users] How to add "an acetyl functional group" in the PDB file Mark Abraham
[gmx-users] Constraintes Mark Abraham
[gmx-users] Hello Mark Abraham
[gmx-users] Hello Mark Abraham
[gmx-users] problem with the creating of a top-file Mark Abraham
[gmx-users] Segmentation Fault (Address not mapped) Mark Abraham
[gmx-users] Protein going out of the box Mark Abraham
[gmx-users] Lincs Warning Mark Abraham
[gmx-users] gromacs-3.3.1 tpr file in gromacs 4.0.5? Mark Abraham
[gmx-users] Segmentation Fault (Address not mapped) Mark Abraham
[gmx-users] making a box of water Mark Abraham
[gmx-users] minimzation problem with a heterogeneous system Mark Abraham
[gmx-users] openmm Mark Abraham
[gmx-users] Re: openmm Mark Abraham
[gmx-users] Changing gmx_msd.c Mark Abraham
[gmx-users] H-Db error Mark Abraham
[gmx-users] H-Db error Mark Abraham
[gmx-users] H-Db error Mark Abraham
[gmx-users] query regarding Fe4S4 Mark Abraham
[gmx-users] problem with 53a6 simulating a coiled-coil fiber like protein Mark Abraham
[gmx-users] Re: mdrun -nosum still complains that 15 % of the run time was spent communicating energies Mark Abraham
[gmx-users] genconf Mark Abraham
[gmx-users] Re: comparison of gromacs in CENTOS and UBUNTU Mark Abraham
[gmx-users] Re: genconf Mark Abraham
[gmx-users] Zn parameterization Mark Abraham
[gmx-users] using two different combination rules for the LJ potential Mark Abraham
[gmx-users] genconf Mark Abraham
[gmx-users] invalid angle type 0 Mark Abraham
[gmx-users] using two different combination rules for the LJ potentia Mark Abraham
[gmx-users] Wrong pressure with "mdrun -rerun" option Mark Abraham
[gmx-users] Wrong pressure with "mdrun -rerun" option Mark Abraham
[gmx-users] Error in hdb file ffG43a1p.hdb Mark Abraham
[gmx-users] Re: comparison of gromacs in CENTOS and UBUNTU Mark Abraham
[gmx-users] PDB and GRO files Mark Abraham
[gmx-users] About exclusion of non-bonded interaction for pairs of energy groups Mark Abraham
[gmx-users] About exclusion of non-bonded interaction for pairs of energy groups Mark Abraham
[gmx-users] Fes cluster Mark Abraham
[gmx-users] POSITION-RESTRAIN Mark Abraham
[gmx-users] GHrace install Mark Abraham
[gmx-users] About exclusion of non-bonded interaction for pairs of energy groups Mark Abraham
[gmx-users] About exclusion of non-bonded interaction for pairs of energy groups Mark Abraham
[gmx-users] doubt - how to fix all atoms ? Mark Abraham
[gmx-users] FeS cluster Mark Abraham
[gmx-users] linking Mark Abraham
[gmx-users] building C-Ter residues : automated Mark Abraham
[gmx-users] energy of individual protein residues Mark Abraham
[gmx-users] question about continuation using tpbconv and mdrun -cpi Mark Abraham
[gmx-users] Required help in topology making Mark Abraham
[gmx-users] question about continuation using tpbconv and mdrun -cpi Mark Abraham
[gmx-users] How to fi all atoms and to calculate the energy Mark Abraham
[gmx-users] Re: mdrun -nosum still complains that 15 % of > the runtime was spent communicating energies Mark Abraham
[gmx-users] infinite surface Mark Abraham
[gmx-users] Re: openmm Mark Abraham
[gmx-users] -append on jugene overwrites trr Mark Abraham
[gmx-users] question about continuation using tpbconv and mdrun -cpi Mark Abraham
[gmx-users] very strange domain composition statistics Mark Abraham
[gmx-users] Viewing Trajectories with VMD Joshua Adelman
[gmx-users] False C6/C12 parameter for DMSO and chloroform in GROMOS 45a3 force field (ffG45a3) Roman Affentranger
[gmx-users] False C6/C12 parameter for DMSO and chloroform in GROMOS 45a3 force field (ffG45a3) Roman Affentranger
[gmx-users] Re: Problem with AMBER-GROMACS DNA database residue Alan
[gmx-users] openmm Alan
[gmx-users] Re: openmm Alan
[gmx-users] Re: openmm Alan
[gmx-users] Re: openmm Alan
[gmx-users] Re: openmm Alan
[gmx-users] Re: openmm Alan
[gmx-users] Re: openmm Alan
[gmx-users] Re: how to center a MARTINI trajectory so that thelipid bilayer remains at the center of the box (XAvier Periole) Shay Amram
[gmx-users] Hg2+ ions in ion.itp Alexandre Suman de Araujo
[gmx-users] PDB and GRO files Alexandre Suman de Araujo
[gmx-users] Re: comparison of gromacs in CENTOS and UBUNTU Alexandre Suman de Araujo
[gmx-users] Re: Groups based on distance criteria Vasilii Artyukhov
[gmx-users] Re: CNT Vasilii Artyukhov
[gmx-users] spider toxin tutorial problem Negar Ashari Astani
[gmx-users] g_potential Negar Ashari Astani
[gmx-users] Pulling a CG protein Marc Baaden
[gmx-users] Pulling a CG protein Marc Baaden
[gmx-users] About the "mdrun" err's information Aurum Bai
[gmx-users] Convert trr into crd (amber format) Anthony Cruz Balberdi
[gmx-users] monomers Anthony Cruz Balberdi
[gmx-users] Peptide - DMPC membrane simulations -> Unstable system Kirill Bessonov
[gmx-users] Re: Extend water layer along negative Z-direction Kirill Bessonov
[gmx-users] Peptide - DMPC membrane simulations -> Unstable system Kirill Bessonov
[gmx-users] Peptide - DMPC membrane simulations -> Unstable system Kirill Bessonov
[gmx-users] Re: number of coordinates in coordinate file does not match topology Kirill Bessonov
[gmx-users] Peptide - DMPC membrane simulations -> Unstable system Kirill Bessonov
[gmx-users] Peptide - DMPC membrane simulations -> Unstable system Kirill Bessonov
[gmx-users] Peptide - DMPC membrane simulations -> Unstable system Kirill Bessonov
[gmx-users] Peptide - DMPC membrane simulations -> Unstable system Kirill Bessonov
[gmx-users] waters in ion channels Samik Bhattacharya
[gmx-users] waters in ion channels Samik Bhattacharya
[gmx-users] MdRun Crash Samik Bhattacharya
[gmx-users] Lincs Warning Samik Bhattacharya
[gmx-users] Lincs Warning Samik Bhattacharya
[gmx-users] Lincs Warning Samik Bhattacharya
[gmx-users] installing grace Samik Bhattacharya
[gmx-users] large force on an atom Samik Bhattacharya
[gmx-users] GHrace install Samik Bhattacharya
[gmx-users] POSITION-RESTRAIN Samik Bhattacharya
[gmx-users] make index group Bing Bing
[gmx-users] problem in g_order Bing Bing
[gmx-users] problem in g_order Bing Bing
[gmx-users] using editconf to duplicate membrane Bing Bing
[gmx-users] invalid angle type 0 Bing Bing
[gmx-users] PLUMED release 1.1.0 available Massimiliano Bonomi
[gmx-users] trouble with a triple bond Alexander Bujotzek
[gmx-users] trouble with a triple bond Alexander Bujotzek
[gmx-users] RE: How to freeze the atoms? Vitaly V. Chaban
[gmx-users] xdr library. Just for an example. Vitaly V. Chaban
[gmx-users] Re: number of coordinates in coordinate file does not match topology Vitaly V. Chaban
[gmx-users] Re: number of coordinates in coordinate file does not match topology Vitaly V. Chaban
[gmx-users] Re: number of coordinates in coordinate file does not match topology Vitaly V. Chaban
[gmx-users] Re: installing grace Vitaly V. Chaban
[gmx-users] Re: installing grace Vitaly V. Chaban
[gmx-users] Re: Groups based on distance criteria Vitaly V. Chaban
[gmx-users] Re: Groups based on distance criteria Vitaly V. Chaban
[gmx-users] Re: comparison of gromacs in CENTOS and UBUNTU Vitaly V. Chaban
[gmx-users] Re: PDB and GRO files Vitaly V. Chaban
[gmx-users] Re: PDB and GRO files Vitaly V. Chaban
[gmx-users] Re: reliability of NOTES Vitaly V. Chaban
[gmx-users] PDB and GRO files Vitaly V. Chaban
[gmx-users] Re: gmx-users Digest, Vol 63, Issue 110 Vitaly V. Chaban
[gmx-users] Re: genconf Vitaly V. Chaban
[gmx-users] Re: genconf Vitaly V. Chaban
[gmx-users] Re: trr and xtc Vitaly V. Chaban
[gmx-users] Users software contribution. Old site. Vitaly V. Chaban
[gmx-users] Re: Users software contribution. Old site. Vitaly V. Chaban
[gmx-users] Re: CNT Vitaly V. Chaban
[gmx-users] Re: CNT Vitaly V. Chaban
[gmx-users] Re: R: CNT Vitaly V. Chaban
[gmx-users] Re: CNT Vitaly V. Chaban
[gmx-users] Re: R: R: CNT Vitaly V. Chaban
[gmx-users] Re: R: R: R: CNT Vitaly V. Chaban
[gmx-users] Generating solvent topology using pdb2gmx Suman Chakrabarty
[gmx-users] Hydroxide Ion Marc Charendoff
[gmx-users] Zn parameterization Marc Charendoff
[gmx-users] (no subject) Marc Charendoff
[gmx-users] Periodic Boundary Condition Issues Cooper, David R
[gmx-users] How to cap a peptide using pdb2gmx Camilo Andrés Jimenez Cruz
[gmx-users] How to change the protonation state of an aminoacid in a peptide Camilo Andrés Jimenez Cruz
[gmx-users] How to change the protonation state of an aminoacid in a peptide Camilo Andrés Jimenez Cruz
[gmx-users] Shift electrostatic summation Shuangxing Dai
[gmx-users] large pressure Shuangxing Dai
[gmx-users] Re: Problems with non-bonded interactions using OPLSAA Dimitris Dellis
[gmx-users] Installation problem:fftw3f lib. not found. Florian Dommert
[gmx-users] GIT Florian Dommert
[gmx-users] GIT Florian Dommert
[gmx-users] Installation problem:fftw3f lib. not found. Florian Dommert
[gmx-users] params for g_cluster and g_clustsize Dmitri Dubov
[gmx-users] params for g_cluster and g_clustsize Dmitri Dubov
[gmx-users] params for g_cluster and g_clustsize Dmitri Dubov
[gmx-users] indexing largest cluster with g_clustsize Dmitri Dubov
[gmx-users] params for g_cluster and g_clustsize Dmitri Dubov
[gmx-users] Configuring QM/MM for Gaussian/GROMACS Michael Eby
[gmx-users] about mdrun_make_hole.tar.gz Ansgar Esztermann
[gmx-users] mdrun_make_hole installation Ansgar Esztermann
[gmx-users] mdrun_make_hole installation Ansgar Esztermann
[gmx-users] Re: comparison of gromacs in CENTOS and UBUNTU Laercio Pol Fachin
[gmx-users] disable ulimit Gustavo Fioravanti
[gmx-users] problem with the creating of a top-file Saskia Frenzel
[gmx-users] charge from propene? Saskia Frenzel
[gmx-users] xdr library. Just for an example. Ran Friedman
[gmx-users] indexing largest cluster with g_clustsize Ran Friedman
[gmx-users] Re: Some questions on Tabulated Dihedral Potential Ran Friedman
回复： [gmx-users] Re: Some questions on Tabulated Dihedral Potential Ran Friedman
回复： [gmx-users] Re: Some questions on Tabulated Dihedral Potential Ran Friedman
回复：回复： [gmx-users] Re: Some questions on Tabulated Dihedral Potential Ran Friedman
[gmx-users] Re: Some questions on Tabulated Dihedral Potential Ran Friedman
[gmx-users] Switch - Shift function electrostatics Ran Friedman
[gmx-users] Constraintes Mohammad Ghahramanpour
[gmx-users] make_ndx option Anirban Ghosh
[gmx-users] GridMat MD Plot Anirban Ghosh
[gmx-users] Re: GridMat MD Plot (Justin A. Lemkul) Anirban Ghosh
[gmx-users] GridMatMD Result Interpretation Anirban Ghosh
[gmx-users] Hg2+ ions in ion.itp Anirban Ghosh
[gmx-users] WG: Changing of pulling paramters during simulation Hans HEINDL
[gmx-users] Best way to handle linear rigid molecules. Berk Hess
[gmx-users] Re: Problems with non-bonded interactions using OPLSAA Berk Hess
[gmx-users] Re: Problems with non-bonded interactions using OPLSAA Berk Hess
[gmx-users] Re: Problems with non-bonded interactions using OPLSAA Berk Hess
[gmx-users] Re: Best way to handle linear rigid molecules. Berk Hess
[gmx-users] Re: Best way to handle linear rigid molecules. Berk Hess
[gmx-users] appropriate values fot tau_t and tau_p Berk Hess
[gmx-users] diffusion, g_msd and trestart Berk Hess
[gmx-users] -append on jugene overwrites trr Berk Hess
[gmx-users] generate pair list and 1-4 interactions Berk Hess
[gmx-users] generate pair list and 1-4 interactions Berk Hess
[gmx-users] question about continuation using tpbconv and mdrun -cpi Berk Hess
[gmx-users] very strange domain composition statistics Berk Hess
[gmx-users] Re: Pulling a CG protein Berk Hess
[gmx-users] pulling Berk Hess
[gmx-users] pulling Berk Hess
[gmx-users] Re: pulling Berk Hess
[gmx-users] Buffer overflow on Fedora 10 Adam Huffman
[gmx-users] Buffer overflow on Fedora 10 Adam Huffman
[gmx-users] Buffer overflow on Fedora 10 Adam Huffman
[gmx-users] appropriate values fot tau_t and tau_p Rolf Erwin Isele-Holder
[gmx-users] RE:appropriate values fot tau_t and tau_p Rolf Erwin Isele-Holder
[gmx-users] How does pdb2gmx assign protonation in default condition? Liu Ji
[gmx-users] How does pdb2gmx assign protonation in default condition? Liu Ji
[gmx-users] topology and residue database? Joseph Johnson
[gmx-users] Re: Some questions on Tabulated Dihedral Potential Johannes Kamp
[gmx-users] Re: Some questions on Tabulated Dihedral Potential Johannes Kamp
[gmx-users] protein-ligand interaction energy for oligomers Shankar Prasad Kanaujia
[gmx-users] waters in ion channels Itamar Kass
[gmx-users] DNA SIMULATION Morteza Khabiri
[gmx-users] POSITION-RESTRAIN Morteza Khabiri
[gmx-users] Position-restraint Morteza Khabiri
[gmx-users] different energies with different GROMACS versions Thorsten Koeddermann
[gmx-users] Segmentation Fault (Address not mapped) Darrell Koskinen
[gmx-users] PDB and GRO files Jim Kress
[gmx-users] Re: comparison of gromacs in CENTOS and UBUNTU Jim Kress
[gmx-users] Zn parameterization Jim Kress
[gmx-users] Installation problem:fftw3f lib. not found. Shobhit Kudesia
[gmx-users] Installation problem:fftw3f lib. not found. Shobhit Kudesia
[gmx-users] invalid angle type 0 Kukol, Andreas
[gmx-users] Where are the source codes? Carsten Kutzner
[gmx-users] about template.c? Carsten Kutzner
[gmx-users] Pulling a CG protein Johnny Lam
[gmx-users] Pulling a CG protein Johnny Lam
[gmx-users] Molecular Modeling Workshop and Model(l)ing'09 in Erlangen, Germany Harald Lanig
[gmx-users] Problem compiling gromacs-4.0.5 against mvapich2-1.4rc1 Jerry Leahy
[gmx-users] -xy option for g_rdf LeeHwan-kyu
[gmx-users] GMX Installation Jussi Lehtola
[gmx-users] Re: GMX-Installation2 Jussi Lehtola
[gmx-users] Buffer overflow on Fedora 10 Jussi Lehtola
[gmx-users] Buffer overflow on Fedora 10 Jussi Lehtola
[gmx-users] about template.c? Jussi Lehtola
[gmx-users] installing grace Jussi Lehtola
[gmx-users] time of simulation Jussi Lehtola
[gmx-users] GHrace install Jussi Lehtola
[gmx-users] few doubts regarding 1-4 interaction Justin A. Lemkul
[gmx-users] make index group Justin A. Lemkul
[gmx-users] norm of force = nan error Justin A. Lemkul
[gmx-users] umbrella sampling: pdo file not generated Justin A. Lemkul
[gmx-users] broken protein Justin A. Lemkul
[gmx-users] problem in energy minimisation of dna-protein complex Justin A. Lemkul
[gmx-users] long-bond warning during running Justin A. Lemkul
[gmx-users] trouble with a triple bond Justin A. Lemkul
[gmx-users] puzzling about adding H atoms Justin A. Lemkul
[gmx-users] pdb file badly broken after changing residue name a/c to amber.rtp file Justin A. Lemkul
[gmx-users] Atomtype '15.9994' not found Justin A. Lemkul
[gmx-users] spider toxin tutorial problem Justin A. Lemkul
[gmx-users] spider toxin tutorial problem Justin A. Lemkul
[gmx-users] spider toxin tutorial problem Justin A. Lemkul
[gmx-users] spider toxin tutorial problem Justin A. Lemkul
[gmx-users] Regarding cofactors Justin A. Lemkul
[gmx-users] query regarding g_rms Justin A. Lemkul
[gmx-users] Segmentation Fault (Address not mapped) Justin A. Lemkul
[gmx-users] Installation of gromacs 4.0.5 on a Mac Justin A. Lemkul
[gmx-users] Installation of gromacs 4.0.5 on a Mac Justin A. Lemkul
[gmx-users] monomers Justin A. Lemkul
[gmx-users] monomers Justin A. Lemkul
[gmx-users] monomers Justin A. Lemkul
[gmx-users] Re: some monomers get bonds among them Justin A. Lemkul
[gmx-users] GridMat MD Plot Justin A. Lemkul
[gmx-users] About the "mdrun" err's information Justin A. Lemkul
[gmx-users] GridMatMD Result Interpretation Justin A. Lemkul
[gmx-users] gromacs on glacier Justin A. Lemkul
[gmx-users] making a box of water Justin A. Lemkul
[gmx-users] making a box of water Justin A. Lemkul
[gmx-users] making a box of water Justin A. Lemkul
[gmx-users] making a box of water Justin A. Lemkul
[gmx-users] Questions about protein simulations. Justin A. Lemkul
[gmx-users] topology and residue database? Justin A. Lemkul
[gmx-users] making a box of water Justin A. Lemkul
[gmx-users] Lincs Warning Justin A. Lemkul
[gmx-users] Hydroxide Ion Justin A. Lemkul
[gmx-users] How does pdb2gmx assign protonation in default condition? Justin A. Lemkul
[gmx-users] Segmentation Fault (Address not mapped) Justin A. Lemkul
[gmx-users] charge from propene? Justin A. Lemkul
[gmx-users] making a box of water Justin A. Lemkul
[gmx-users] making a box of water Justin A. Lemkul
[gmx-users] making a box of water Justin A. Lemkul
[gmx-users] Peptide - DMPC membrane simulations -> Unstable system Justin A. Lemkul
[gmx-users] Segmentation Fault (Address not mapped) Justin A. Lemkul
[gmx-users] Peptide - DMPC membrane simulations -> Unstable system Justin A. Lemkul
[gmx-users] Regarding continuation of mdrun Justin A. Lemkul
[gmx-users] minimzation problem with a heterogeneous system Justin A. Lemkul
[gmx-users] Peptide - DMPC membrane simulations -> Unstable system Justin A. Lemkul
[gmx-users] problem with g_oder : file empty Justin A. Lemkul
[gmx-users] Segmentation Fault (Address not mapped) Justin A. Lemkul
[gmx-users] Website Justin A. Lemkul
[gmx-users] Segmentation Fault (Address not mapped) Justin A. Lemkul
[gmx-users] query about topolgen.pl Justin A. Lemkul
[gmx-users] query about topolgen.pl Justin A. Lemkul
[gmx-users] query regarding .top file Justin A. Lemkul
[gmx-users] parameters for Phosphorylated threonine and serine Justin A. Lemkul
[gmx-users] CPU Usage Justin A. Lemkul
[gmx-users] x2top hangs Justin A. Lemkul
[gmx-users] Re: openmm Justin A. Lemkul
[gmx-users] mdp file for monitoring pair groups Justin A. Lemkul
[gmx-users] Conversion Justin A. Lemkul
[gmx-users] Peptide - DMPC membrane simulations -> Unstable system Justin A. Lemkul
[gmx-users] Peptide - DMPC membrane simulations -> Unstable system Justin A. Lemkul
[gmx-users] H-Db error Justin A. Lemkul
[gmx-users] parameters for Phosphorylated threonine and serine Justin A. Lemkul
[gmx-users] Insert a certain number of water molecules into a nanotube Justin A. Lemkul
[gmx-users] g_wham error Justin A. Lemkul
[gmx-users] reg Mopac/gromacs installation Justin A. Lemkul
回复：Re: [gmx-users] Insert a certain number of water molecules into ananotube Justin A. Lemkul
[gmx-users] g_rms (was H-Db error) Justin A. Lemkul
[gmx-users] Peptide - DMPC membrane simulations -> Unstable system Justin A. Lemkul
[gmx-users] large force on an atom Justin A. Lemkul
[gmx-users] PDB and GRO files Justin A. Lemkul
[gmx-users] PDB and GRO files Justin A. Lemkul
[gmx-users] Re: comparison of gromacs in CENTOS and UBUNTU Justin A. Lemkul
[gmx-users] Re: reliability of NOTES Justin A. Lemkul
[gmx-users] genconf Justin A. Lemkul
[gmx-users] genconf Justin A. Lemkul
[gmx-users] genconf Justin A. Lemkul
[gmx-users] genconf Justin A. Lemkul
[gmx-users] Periodic Boundary Condition Issues Justin A. Lemkul
[gmx-users] trr and xtc Justin A. Lemkul
[gmx-users] trr and xtc Justin A. Lemkul
[gmx-users] Peptide - DMPC membrane simulations -> Unstable system Justin A. Lemkul
[gmx-users] trr and xtc Justin A. Lemkul
[gmx-users] Missing G53A6 parameters Justin A. Lemkul
[gmx-users] Missing G53A6 parameters Justin A. Lemkul
[gmx-users] How to cap a peptide using pdb2gmx Justin A. Lemkul
[gmx-users] residue-residue specific energy plots Justin A. Lemkul
[gmx-users] genconf Justin A. Lemkul
[gmx-users] pull.ppa doesn't work Justin A. Lemkul
[gmx-users] (no subject) Justin A. Lemkul
[gmx-users] genconf Justin A. Lemkul
[gmx-users] error in ffG43a1p force field Justin A. Lemkul
[gmx-users] Segmentation Fault (Address not mapped) Justin A. Lemkul
[gmx-users] reg mopac.gromacs installations Justin A. Lemkul
[gmx-users] MD Simulation of DPPC Lipid Bilayer Justin A. Lemkul
[gmx-users] MD Simulation of DPPC Lipid Bilayer Justin A. Lemkul
[gmx-users] How to change the protonation state of an aminoacid in a peptide Justin A. Lemkul
[gmx-users] Users software contribution. Old site. Justin A. Lemkul
[gmx-users] Solvation Implicit Justin A. Lemkul
[gmx-users] with dispersion correction ... Justin A. Lemkul
[gmx-users] How to Run Energy Minimisation Justin A. Lemkul
[gmx-users] How to Run Energy Minimisation Justin A. Lemkul
[gmx-users] peptide insertion in lipid bilayer Justin A. Lemkul
[gmx-users] Re: R: R: R: CNT Justin A. Lemkul
[gmx-users] Carbohydrate MD Simulation Justin A. Lemkul
[gmx-users] Carbohydrate MD Simulation Justin A. Lemkul
[gmx-users] Can I change xtc-groups while continuing a simulation? Michael Lerner
[gmx-users] A question about mdrun's input checkpoint file behavior Michael Lerner
[gmx-users] Trying to use g_sas with pbc, also trying to get per-frame output. Michael Lerner
[gmx-users] Trying to use g_sas with pbc, also trying to get per-frame output. Michael Lerner
[gmx-users] Different RMSD of the same system Dechang Li
[gmx-users] g_energy=> Different Average values? Chih-Ying Lin
[gmx-users] .mdp => Dihedral Angles conflict Bond Constraints ? Chih-Ying Lin
[gmx-users] .mdp => Dihedral Angles conflict Bond Constraints ? Chih-Ying Lin
[gmx-users] Competition of electric force and hydrophobicity Chih-Ying Lin
[gmx-users] g_energy=> Different Average values? Chih-Ying Lin
[gmx-users] Where are the source codes? Chih-Ying Lin
[gmx-users] about template.c? Chih-Ying Lin
[gmx-users] g_energy=> Different Average values from the screen than calculation of .xvg? Chih-Ying Lin
[gmx-users] Groups based on distance criteria Matteus Lindgren
[gmx-users] Wrong pressure with "mdrun -rerun" option Lanyuan Lu
[gmx-users] Wrong pressure with "mdrun -rerun" option LuLanyuan
[gmx-users] about mdrun_make_hole.tar.gz Moutusi Manna
[gmx-users] mdrun_make_hole installation Moutusi Manna
[gmx-users] mdrun_make_hole installation Moutusi Manna
[gmx-users] peptide insertion in lipid bilayer Moutusi Manna
[gmx-users] mdrun_make_hole installation Moutusi Manna
[gmx-users] using GROMACS in SDS-water simulations Anna Marabotti
[gmx-users] umbrella sampling: pdo file not generated Erik Marklund
[gmx-users] problem in g_order Erik Marklund
[gmx-users] params for g_cluster and g_clustsize Erik Marklund
[gmx-users] Protein going out of the box Omer Markovitch
[gmx-users] Periodic Boundary Condition Issues Omer Markovitch
[gmx-users] Regarding binning technique Manik Mayur
[gmx-users] Re: R: R: R: CNT Manik Mayur
[gmx-users] Missing G53A6 parameters Michael McGovern
[gmx-users] pdb atom nomenclature Stefano Meliga
[gmx-users] x2top hangs Scott Milner
[gmx-users] Fwd: fixed "3.3.3"? David Mobley
[gmx-users] Doxygen Syed Tarique Moin
[gmx-users] monomers Jarol E. Molina
[gmx-users] problem with 53a6 simulating a coiled-coil fiber like protein Lory Montout
[gmx-users] waters in ion channels Nagy, Peter I.
[gmx-users] MD Simulation of DPPC Lipid Bilayer Nancy
[gmx-users] MD Simulation of DPPC Lipid Bilayer Nancy
[gmx-users] How to Run Energy Minimisation Nancy
[gmx-users] How to Run Energy Minimisation Nancy
[gmx-users] Viewing Trajectories with VMD Nancy
[gmx-users] Viewing Trajectories with VMD Nancy
[gmx-users] Carbohydrate MD Simulation Nancy
[gmx-users] Carbohydrate MD Simulation Nancy
[gmx-users] norm of force = nan error P.R.Anand Narayanan
[gmx-users] broken protein P.R.Anand Narayanan
[gmx-users] process getting killed P.R.Anand Narayanan
[gmx-users] no. of atoms in PDB doesnt match topology file P.R.Anand Narayanan
[gmx-users] Regarding numbering P.R.Anand Narayanan
[gmx-users] Regarding cofactors P.R.Anand Narayanan
[gmx-users] Conversion P.R.Anand Narayanan
[gmx-users] linking P.R.Anand Narayanan
[gmx-users] mdrun -nosum still complains that 15 % of the run time was spent communicating energies Chris Neale
[gmx-users] Re: mdrun -nosum still complains that 15 % of the run time was spent communicating energies Chris Neale
[gmx-users] LINCS warnings with timestep of 5 fs (but not 4 fs) Chris Neale
[gmx-users] Huge acceleration needed to reproduce results! Chris Neale
[gmx-users] OPLS-AA: LJ problem? Atoms overlapping... Chris Neale
[gmx-users] Re: OPLS-AA: LJ problem? Atoms overlapping... Chris Neale
[gmx-users] Including K+ in gromos96 Jessé Nóbrega
[gmx-users] ﬁrst and second neighbours Luis Paulo
[gmx-users] doubt - how to fix all atoms ? Luis Paulo
[gmx-users] How to fi all atoms and to calculate the energy Luis Paulo
[gmx-users] Solvation Implicit Luis Paulo
[gmx-users] how to center a MARTINI trajectory so that the lipid bilayer remains at the center of the box XAvier Periole
[gmx-users] Re: how to center a MARTINI trajectory so that the lipid bilayer remains at the center of the box (XAvier Periole) XAvier Periole
[gmx-users] Re: Re: how to center a MARTINI trajectory so that the lipid bilayer remains at the center of the box (XAvier Periole) (XAvier Periole) XAvier Periole
[gmx-users] Re: Re: Re: how to center a MARTINI trajectory so that the lipid bilayer remains at the center of the box XAvier Periole
[gmx-users] Arbitary small molecule for Martini force field XAvier Periole
[gmx-users] problem during energy minimisation to allow only hydrogen molecule to relax XAvier Periole
[gmx-users] .mdp => Dihedral Angles conflict Bond Constraints ? XAvier Periole
[gmx-users] including K ion in gromos96 XAvier Periole
[gmx-users] bonds rotating more than 30 and segmentation fault. XAvier Periole
[gmx-users] coarse-grained simulation of proteins XAvier Periole
[gmx-users] mdp file for monitoring pair groups XAvier Periole
[gmx-users] Position-restraint XAvier Periole
[gmx-users] How to fi all atoms and to calculate the energy XAvier Periole
[gmx-users] Pulling a CG protein XAvier Periole
[gmx-users] Pulling a CG protein XAvier Periole
[gmx-users] Pulling a CG protein XAvier Periole
[gmx-users] Switch - Shift function electrostatics Emanuel Peter
[gmx-users] making a box of water Payman Pirzadeh
[gmx-users] gromacs on glacier Payman Pirzadeh
[gmx-users] making a box of water Payman Pirzadeh
[gmx-users] making a box of water Payman Pirzadeh
[gmx-users] making a box of water Payman Pirzadeh
[gmx-users] making a box of water Payman Pirzadeh
[gmx-users] making a box of water Payman Pirzadeh
[gmx-users] Energy of a box of water Payman Pirzadeh
[gmx-users] Energy of a box of water Payman Pirzadeh
[gmx-users] Energy of a box of water Payman Pirzadeh
[gmx-users] Energy of a box of water Payman Pirzadeh
[gmx-users] making a box of water Payman Pirzadeh
[gmx-users] making a box of water Payman Pirzadeh
[gmx-users] making a box of water Payman Pirzadeh
[gmx-users] making a box of water Payman Pirzadeh
[gmx-users] making a box of water Payman Pirzadeh
[gmx-users] minimzation problem with a heterogeneous system Payman Pirzadeh
[gmx-users] minimzation problem with a heterogeneous system Payman Pirzadeh
[gmx-users] reliability of NOTES Payman Pirzadeh
[gmx-users] genconf Payman Pirzadeh
[gmx-users] genconf Payman Pirzadeh
[gmx-users] genconf Payman Pirzadeh
[gmx-users] genconf Payman Pirzadeh
[gmx-users] genconf Payman Pirzadeh
[gmx-users] genconf Payman Pirzadeh
[gmx-users] genconf Payman Pirzadeh
[gmx-users] extra potential term in gromacs Felicia Pitici
[gmx-users] question about continuation using tpbconv and mdrun -cpi Baofu Qiao
[gmx-users] question about continuation using tpbconv and mdrun -cpi Baofu Qiao
[gmx-users] question about continuation using tpbconv and mdrun -cpi Baofu Qiao
[gmx-users] question about continuation using tpbconv and mdrun -cpi Baofu Qiao
[gmx-users] problem with installation of topolbuild1.2.1 Bruce D. Ray
[gmx-users] make_ndx option Venkat Reddy
[gmx-users] residue-residue specific energy plots Jonathan Reyles
[gmx-users] OPLS-AA: LJ problem? Atoms overlapping... Christopher Rowan
[gmx-users] Re: OPLS-AA: LJ problem? Atoms overlapping... Christopher Rowan
[gmx-users] Re: OPLS-AA: LJ problem? Atoms overlapping... Christopher Rowan
[gmx-users] Re: NH3 / graphene Paul Rowntree
[gmx-users] few doubts regarding 1-4 interaction Ms. Aswathy S
[gmx-users] Water atoms cannot be settled Ms. Aswathy S
[gmx-users] Water atoms cannot be settled Ms. Aswathy S
[gmx-users] GMX Installation Nicolas SAPAY
[gmx-users] waters in ion channels Nicolas SAPAY
[gmx-users] Re: how to center a MARTINI trajectory so that the lipid bilayer remains at the center of the box (XAvier Periole) Nicolas SAPAY
[gmx-users] Rigid body-LINCS warning Eva Santos
[gmx-users] Re: gmx-users Digest, Vol 63, Issue 148 Thomas Schlesier
[gmx-users] Re: Pulling a CG protein Thomas Schlesier
[gmx-users] Re: pulling Thomas Schlesier
[gmx-users] infinite surface Giulio Scocchi
[gmx-users] CNT Giulio Scocchi
[gmx-users] PDB and GRO files Jamie Seyed
[gmx-users] PDB and GRO files Jamie Seyed
[gmx-users] PDB and GRO files Jamie Seyed
[gmx-users] trr and xtc Jamie Seyed
[gmx-users] trr and xtc Jamie Seyed
[gmx-users] trr and xtc Jamie Seyed
[gmx-users] trr and xtc Jamie Seyed
[gmx-users] with dispersion correction ... Jamie Seyed
[gmx-users] Lennard Jones + Buck'ham Robson da Silva
[gmx-users] [ pairs_nb ] Robson da Silva
[gmx-users] g_sas Smolin, Nikolai
[gmx-users] diffusion, g_msd and trestart Enemark Soeren
[gmx-users] diffusion, g_msd and trestart Enemark Soeren
[gmx-users] diffusion, g_msd and trestart Enemark Soeren
[gmx-users] generate pair list and 1-4 interactions Enemark Soeren
[gmx-users] generate pair list and 1-4 interactions Enemark Soeren
[gmx-users] About exclusion of non-bonded interaction for pairs of energy groups Lee Soin
[gmx-users] About exclusion of non-bonded interaction for pairs of energy groups Lee Soin
[gmx-users] About exclusion of non-bonded interaction for pairs of energy groups Lee Soin
[gmx-users] About exclusion of non-bonded interaction for pairs of energy groups Lee Soin
[gmx-users] How to get the rotational correlation time of the non-equilibrium simulation Yanmei Song
[gmx-users] Doxygen David van der Spoel
[gmx-users] GIT David van der Spoel
[gmx-users] params for g_cluster and g_clustsize David van der Spoel
[gmx-users] GIT David van der Spoel
[gmx-users] Buffer overflow on Fedora 10 David van der Spoel
[gmx-users] pdb2gmx adding a residue to the .rtp file David van der Spoel
[gmx-users] analyse hbnum.xvg David van der Spoel
[gmx-users] Segmentation Fault (Address not mapped) David van der Spoel
[gmx-users] Installation of gromacs 4.0.5 on a Mac David van der Spoel
[gmx-users] About the "mdrun" err's information David van der Spoel
[gmx-users] making a box of water David van der Spoel
[gmx-users] Energy of a box of water David van der Spoel
[gmx-users] Energy of a box of water David van der Spoel
[gmx-users] Energy of a box of water David van der Spoel
[gmx-users] making a box of water David van der Spoel
[gmx-users] DNA SIMULATION David van der Spoel
[gmx-users] Trying to use g_sas with pbc, also trying to get per-frame output. David van der Spoel
[gmx-users] ﬁrst and second neighbours David van der Spoel
[gmx-users] Switch - Shift function electrostatics David van der Spoel
[gmx-users] diffusion, g_msd and trestart David van der Spoel
[gmx-users] diffusion, g_msd and trestart David van der Spoel
[gmx-users] Pulling a CG protein David van der Spoel
[gmx-users] Pulling a CG protein David van der Spoel
[gmx-users] very strange domain composition statistics David van der Spoel
[gmx-users] changing pdb file residue name Rukmani Sridharan
[gmx-users] bonds rotating more than 30 and segmentation fault. Rukmani Sridharan
[gmx-users] Arbitary small molecule for Martini force field H T
[gmx-users] Water clustering H T
[gmx-users] Error in hdb file ffG43a1p.hdb Thamu
[gmx-users] error in ffG43a1p force field Thamu
[gmx-users] problem with g_oder : file empty Thielges, Sabine
[gmx-users] Problem with AMBER-GROMACS DNA database residue Rubben Torella
[gmx-users] Re: Problem with AMBER-GROMACS DNA database residue Rubben Torella
[gmx-users] make_ndx option Rubben Torella
[gmx-users] False C6/C12 parameter for DMSO and chloroform in GROMOS 45a3 force field (ffG45a3) Markus Tusch
[gmx-users] False C6/C12 parameter for DMSO and chloroform in GROMOS 45a3 force field (ffG45a3) Markus Tusch
[gmx-users] parameters for Phosphorylated threonine and serine Lucio Ricardo Montero Valenzuela
[gmx-users] umbrella sampling: pdo file not generated Gustavo Velardez
[gmx-users] Fast energy parameter Felipe Villanelo
[gmx-users] Energy analysis by mdrun -rerun Jinyao Wang
[gmx-users] Problem with user-defined potentials David Waroquiers
[gmx-users] Fatal error Dallas B. Warren
[gmx-users] Lincs Warning Dallas B. Warren
[gmx-users] How to avoid generating wrong dihedrals? Tsjerk Wassenaar
[gmx-users] problem in simulation of dna-protein complex Tsjerk Wassenaar
[gmx-users] problem during simulation of dna-protein complex Tsjerk Wassenaar
[gmx-users] protein covalently bond to ligand Tsjerk Wassenaar
[gmx-users] changing pdb file residue name Tsjerk Wassenaar
[gmx-users] .mdp => Dihedral Angles conflict Bond Constraints ? Tsjerk Wassenaar
[gmx-users] using editconf to duplicate membrane Tsjerk Wassenaar
[gmx-users] Why is triclinic geometry not retained in confout.gro? Tsjerk Wassenaar
[gmx-users] Fatal error Tsjerk Wassenaar
[gmx-users] Regarding numbering Tsjerk Wassenaar
[gmx-users] Can I change xtc-groups while continuing a simulation? Tsjerk Wassenaar
[gmx-users] global rmsf fraction to each eigenvector Tsjerk Wassenaar
[gmx-users] Water clustering Tsjerk Wassenaar
[gmx-users] Different RMSD of the same system Tsjerk Wassenaar
[gmx-users] about do_dssp Tsjerk Wassenaar
[gmx-users] Protein going out of the box Tsjerk Wassenaar
[gmx-users] Hydroxide Ion Tsjerk Wassenaar
[gmx-users] Hg2+ ions in ion.itp Tsjerk Wassenaar
[gmx-users] using two different combination rules for the LJ potential Ana West
[gmx-users] using two different combination rules for the LJ potentia Ana West
[gmx-users] Installation of gromacs 4.0.5 on a Mac Gunnar Widtfeldt
[gmx-users] Installation of gromacs 4.0.5 on a Mac Gunnar Widtfeldt
[gmx-users] Installation of gromacs 4.0.5 on a Mac Gunnar Widtfeldt
[gmx-users] Why is triclinic geometry not retained in confout.gro? Jennifer Williams
[gmx-users] pdb2gmx adding a residue to the .rtp file Jennifer Williams
[gmx-users] Best way to handle linear rigid molecules. Jennifer Williams
[gmx-users] Re: Best way to handle linear rigid molecules. Jennifer Williams
[gmx-users] Re: Best way to handle linear rigid molecules. Jennifer Williams
[gmx-users] Changing gmx_msd.c Jennifer Williams
[gmx-users] questions on acceleration Jennifer Williams
[gmx-users] Huge acceleration needed to reproduce results! Jennifer Williams
[gmx-users] Huge acceleration needed to reproduce results! Jennifer Williams
[gmx-users] Huge acceleration needed to reproduce results! Jennifer Williams
[gmx-users] very strange domain composition statistics Jennifer Williams
[gmx-users] very strange domain composition statistics Jennifer Williams
[gmx-users] energy of individual protein residues Kristina Woods
[gmx-users] Problems with non-bonded interactions using OPLSAA Mike Wykes
[gmx-users] Re: Problems with non-bonded interactions using OPLSAA Mike Wykes
[gmx-users] Re: Problems with non-bonded interactions using OPLSAA Mike Wykes
[gmx-users] buckyball.pdb Jamileh Seyed Yazdi/seyedyazdij/O/VCU
[gmx-users] -append on jugene overwrites trr Dr. Leonid Yelash
[gmx-users] pulling aherz
[gmx-users] pulling aherz
[gmx-users] surfactant self-assembly mojdeh akhavan
[gmx-users] analysis eror s lal badshah
[gmx-users] Fatal error s lal badshah
[gmx-users] Fatal error s lal badshah
[gmx-users] Some questions on Tabulated Dihedral Potential hong bingbing
回复： [gmx-users] Re: Some questions on Tabulated Dihedral Potential hong bingbing
回复：回复： [gmx-users] Re: Some questions on Tabulated Dihedral Potential hong bingbing
[gmx-users] "append" option does not work when the traj.trr is larger than 2GB (v4.0.5) kyungchan chae
[gmx-users] (no subject) nikhil damle
[gmx-users] query regarding g_rms nikhil damle
[gmx-users] query regarding g_rms nikhil damle
[gmx-users] Hello nikhil damle
[gmx-users] Hello nikhil damle
[gmx-users] Hello nikhil damle
[gmx-users] Protein going out of the box nikhil damle
[gmx-users] parameters for Phosphorylated threonine and serine nikhil damle
[gmx-users] parameters for Phosphorylated threonine and serine nikhil damle
[gmx-users] H-Db error nikhil damle
[gmx-users] H-Db error nikhil damle
[gmx-users] H-Db error nikhil damle
[gmx-users] H-Db error nikhil damle
[gmx-users] Segmentation Fault (Address not mapped) darrellk at ece.ubc.ca
[gmx-users] Segmentation Fault (Address not mapped) darrellk at ece.ubc.ca
[gmx-users] Segmentation Fault (Address not mapped) darrellk at ece.ubc.ca
[gmx-users] Segmentation Fault (Address not mapped) darrellk at ece.ubc.ca
[gmx-users] Segmentation Fault (Address not mapped) darrellk at ece.ubc.ca
[gmx-users] Segmentation Fault (Address not mapped) darrellk at ece.ubc.ca
[gmx-users] Segmentation Fault (Address not mapped) darrellk at ece.ubc.ca
[gmx-users] Segmentation Fault (Address not mapped) darrellk at ece.ubc.ca
[gmx-users] Segmentation Fault (Address not mapped) darrellk at ece.ubc.ca
[gmx-users] Segmentation Fault (Address not mapped) darrellk at ece.ubc.ca
[gmx-users] PDB and GRO files Rodrigo faccioli
[gmx-users] problem with 53a6 simulating a coiled-coil fiber like protein patrick fuchs
[gmx-users] how to center a MARTINI trajectory so that the lipid bilayer remains at the center of the box maria goranovic
[gmx-users] Re: how to center a MARTINI trajectory so that the lipid bilayer remains at the center of the box (XAvier Periole) maria goranovic
[gmx-users] Re: Re: how to center a MARTINI trajectory so that the lipid bilayer remains at the center of the box (XAvier Periole) (XAvier Periole) maria goranovic
[gmx-users] Re: Re: Re: how to center a MARTINI trajectory so that the lipid bilayer remains at the center of the box maria goranovic
[gmx-users] about ff parameters oguz gurbulak
[gmx-users] protein covalently bond to ligand hazizian
[gmx-users] Atomtype '15.9994' not found hazizian
[gmx-users] about do_dssp hazizian
[gmx-users] Regarding continuation of mdrun alkasrivastava at iitb.ac.in
[gmx-users] error in ffG43a1p force field jimkress_58
[gmx-users] GHrace install jimkress_58
[gmx-users] infinite surface jimkress_58
[gmx-users] Creation of a tube and then simulating molecular flow through it. jimkress_58
[gmx-users] including K ion in gromos96 sadhna joshi
[gmx-users] spider toxin tutorial problem mohit kumar
[gmx-users] spider toxin tutorial problem mohit kumar
[gmx-users] spider toxin tutorial problem mohit kumar
[gmx-users] about epsion_surface lammps lammps
[gmx-users] epsion_surface lammps lammps
[gmx-users] pull.ppa doesn't work accomp lin
[gmx-users] pull.ppa doesn't work accomp lin
[gmx-users] How to know the electrostatic potential at a given coordinate? accomp lin
[gmx-users] protein topology file with some substitutions by other founction groups huifang liu
[gmx-users] GMX Installation mahmoud
[gmx-users] time of simulation mahmoud
[gmx-users] problem with 53a6 simulating a coiled-coil fiber like protein marcos
[gmx-users] building C-Ter residues : automated lorna mendonca
[gmx-users] CPU Usage mahmoud mirzaei
[gmx-users] gromacs-3.3.1 tpr file in gromacs 4.0.5? jagannath mondal
[gmx-users] comparison of gromacs in CENTOS and UBUNTU jagannath mondal
[gmx-users] Required help in topology making supti mukherjee
[gmx-users] number of coordinates in coordinate file does not match topology swatik at ncbs.res.in
[gmx-users] How to fi all atoms and to calculate the energy osmair oliveira
[gmx-users] Questions about protein simulations. quantrum75
[gmx-users] Forcefields and water models for protein simulations. quantrum75
[gmx-users] reg Mopac/gromacs installation vidhya sankar
[gmx-users] reg mopac.gromacs installations vidhya sankar
[gmx-users] reg mopac gromacs installation vidhya sankar
[gmx-users] Convert trr into crd (amber format) Ragnarok sdf
[gmx-users] analyse hbnum.xvg Ragnarok sdf
[gmx-users] global rmsf fraction to each eigenvector Ragnarok sdf
[gmx-users] mdp file for monitoring pair groups Ragnarok sdf
[gmx-users] Re: gmx-users Digest, Vol 63, Issue 82 Ragnarok sdf
[gmx-users] mdp file for monitoring pair groups Ragnarok sdf
[gmx-users] A small gift for you. chandrabhan seniya
[gmx-users] A small gift for you. chandrabhan seniya
[gmx-users] make_ndx option sharada
[gmx-users] problem in simulation of dna-protein complex nitu sharma
[gmx-users] problem during simulation of dna-protein complex nitu sharma
[gmx-users] problem in energy minimisation of dna-protein complex nitu sharma
[gmx-users] long-bond warning during running nitu sharma
[gmx-users] pdb file badly broken after changing residue name a/c to amber.rtp file nitu sharma
[gmx-users] problem during energy minimisation using cg integrater nitu sharma
[gmx-users] problem in energy minimisation to allow only hydrogen molecule to relax nitu sharma
[gmx-users] problem during energy minimisation to allow only hydrogen molecule to relax nitu sharma
[gmx-users] Insert a certain number of water molecules into a nanotube toby10222224 at sina.com
[gmx-users] about free energy calculation by LIE method mircial at sjtu.edu.cn
[gmx-users] g_wham error mircial at sjtu.edu.cn
[gmx-users] choosing force filed subarna thakur
[gmx-users] problem with installation of topolbuild1.2.1 subarna thakur
[gmx-users] query about topolgen.pl subarna thakur
[gmx-users] query regarding .top file subarna thakur
[gmx-users] query regarding Fe4S4 subarna thakur
[gmx-users] problem with topolbuild execution subarna thakur
[gmx-users] Fes cluster subarna thakur
[gmx-users] FeS cluster subarna thakur
[gmx-users] Re: mdrun -nosum still complains that 15 % of > the runtime was spent communicating energies chris.neale at utoronto.ca
[gmx-users] Problem compiling gromacs-4.0.5 against mvapich2-1.4rc1 chris.neale at utoronto.ca
[gmx-users] Re: Problem compiling gromacs-4.0.5 against mvapich2-1.4rc1 chris.neale at utoronto.ca
[gmx-users] Re: OPLS-AA: LJ problem? Atoms overlapping... chris.neale at utoronto.ca
[gmx-users] POSITION-RESTRAIN chris.neale at utoronto.ca
[gmx-users] Huge acceleration needed to reproduce results! chris.neale at utoronto.ca
[gmx-users] Huge acceleration needed to reproduce results! chris.neale at utoronto.ca
[gmx-users] How to avoid generating wrong dihedrals? wuxiao
[gmx-users] How to avoid generating wrong dihedrals?(Tsjerk) wuxiao
[gmx-users] How to set fourierspacing? wuxiao
[gmx-users] puzzling about adding H atoms wuxiao
[gmx-users] Atom types of OPLS-AA wuxiao
[gmx-users] a bug for mpi mdrun? wuxiao
[gmx-users] How to add "an acetyl functional group" in the PDB file xuji
[gmx-users] GMX-Installation2 nanogroup at ymail.com
[gmx-users] coarse-grained simulation of proteins yren

Last message date: Fri Jul 31 23:47:56 CEST 2009
Archived on: Thu Nov 14 12:07:05 CET 2013

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