June 2013 Archives by author

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Starting: Sat Jun 1 00:02:07 CEST 2013
Ending: Sun Jun 30 18:11:13 CEST 2013
Messages: 765

[gmx-users] remd analysis Shine A
[gmx-users] REMD Shine A
[gmx-users] Domain Decomposition Error Mark Abraham
[gmx-users] OPLSAA.ff Mark Abraham
[gmx-users] Vritual Sites and simulation time-step Mark Abraham
[gmx-users] Vritual Sites and simulation time-step Mark Abraham
[gmx-users] Vritual Sites and simulation time-step Mark Abraham
[gmx-users] water position restraints Mark Abraham
[gmx-users] About Checkpoint error in gromacs 4.6 Mark Abraham
[gmx-users] structure alignement :g_rmsdist Mark Abraham
[gmx-users] Vritual Sites and simulation time-step Mark Abraham
[gmx-users] cation-pi interaction Mark Abraham
[gmx-users] Removing Water from Final Simulation Mark Abraham
[gmx-users] About the binary identical results by restarting from the checkpoint file Mark Abraham
[gmx-users] Pressure coupling Mark Abraham
[gmx-users] fattyn acid parameter in OPLSAA forcefield Mark Abraham
[gmx-users] Re: gmx 4.6 mpi installation through openmpi? Mark Abraham
[gmx-users] Setting total simulation time Mark Abraham
[gmx-users] Re: frame Mark Abraham
[gmx-users] frame in VMD Mark Abraham
[gmx-users] RE: About the binary identical results by restarting from the checkpoint file Mark Abraham
[gmx-users] Performance of Gromacs-4.6.1 on BlueGene/Q Mark Abraham
[gmx-users] Performance of Gromacs-4.6.1 on BlueGene/Q Mark Abraham
[gmx-users] Re: gmx 4.6 mpi installation through openmpi? Mark Abraham
[gmx-users] Running gmx-4.6.x over multiple homogeneous nodes with GPU acceleration Mark Abraham
[gmx-users] ngmx not installed in gmx4.6.1 Mark Abraham
[gmx-users] problems with GROMACS 4.6.2 Mark Abraham
[gmx-users] Performance of Gromacs-4.6.1 on BlueGene/Q Mark Abraham
[gmx-users] Running gmx-4.6.x over multiple homogeneous nodes with GPU acceleration Mark Abraham
[gmx-users] Help with modified gmx_covar Mark Abraham
[gmx-users] High Initial generated Temp Mark Abraham
[gmx-users] Is non-linear data output/storage possible? Mark Abraham
[gmx-users] Problems building gromacs 4.6 Mark Abraham
[gmx-users] Unable to download Gromacs source tar file Mark Abraham
[gmx-users] Regarding mdrun Mark Abraham
[gmx-users] Getting .edr file data as a generic data file Mark Abraham
[gmx-users] velocity-verlet giving nans Mark Abraham
[gmx-users] Case sensitivity in atomtypes Mark Abraham
[gmx-users] REMD run showing temperature range more than the equilibrated. Mark Abraham
[gmx-users] Problems building gromacs 4.6 Mark Abraham
[gmx-users] Re: mdrun segmentation fault for new build of gromacs 4.6.1 Mark Abraham
[gmx-users] Unable to download Gromacs source tar file Mark Abraham
[gmx-users] Re: Steepest LINCS WARNING Mark Abraham
[gmx-users] Unable to download Gromacs source tar file Mark Abraham
[gmx-users] Unable to download Gromacs source tar file Mark Abraham
[gmx-users] fftw without SIMD Mark Abraham
[gmx-users] building OLPSAA force field Mark Abraham
[gmx-users] Re: mdrun segmentation fault for new build of gromacs 4.6.1 Mark Abraham
[gmx-users] Re: mdrun segmentation fault for new build of gromacs 4.6.1 Mark Abraham
[gmx-users] shall we use double precision? Mark Abraham
[gmx-users] site-site Coulombic force Mark Abraham
[gmx-users] dssp works fine, but do_dssp gives fatal error Mark Abraham
[gmx-users] [ defaults ] and nonbonded Mark Abraham
[gmx-users] Nonbonded parameters Mark Abraham
[gmx-users] Nonbonded parameters Mark Abraham
[gmx-users] Nonbonded parameters Mark Abraham
[gmx-users] Re: gromacs 4.6.2 MPI distribution location problems Mark Abraham
[gmx-users] charmm27 in gromacs- grompp error Mark Abraham
[gmx-users] Problem compiling Gromacs 4.6 on BlueGene/Q Mark Abraham
[gmx-users] RE: About the binary identical results by restarting from the checkpoint file Mark Abraham
[gmx-users] System equilibrium problems Mark Abraham
[gmx-users] Re: Steepest Descents in vacuo Mark Abraham
[gmx-users] Issues with energy when running in the microcanonical ensemble Mark Abraham
[gmx-users] RE: Re: RE: About the binary identical results by restarting from the checkpoint file Mark Abraham
[gmx-users] XYZ Cordinates of a subsset of atoms Mark Abraham
[gmx-users] Re: Gromacs 4.5.5 Mark Abraham
[gmx-users] Gromacs 4.5.5 Mark Abraham
[gmx-users] Re: NVT .gro for NPT Mark Abraham
[gmx-users] to print parameters used from force field Mark Abraham
[gmx-users] grompp error Mark Abraham
[gmx-users] grompp error Mark Abraham
[gmx-users] to print parameters used from force field Mark Abraham
[gmx-users] to print parameters used from force field Mark Abraham
[gmx-users] Quartic angle potential - how to use? Mark Abraham
[gmx-users] Quartic angle potential - how to use? Mark Abraham
[gmx-users] Quartic angle potential - how to use? Mark Abraham
[gmx-users] Quartic angle potential - how to use? Mark Abraham
[gmx-users] atomtype names case INsensitive? Mark Abraham
[gmx-users] can extract edr and cpt of one frame? Mark Abraham
[gmx-users] gromacs on GPU Mark Abraham
Re: 转发：[gmx-users] gromacs on GPU Mark Abraham
[gmx-users] Settles vs. 3 normal constraints (energy conservation problem) Mark Abraham
[gmx-users] Intel vs gcc compilers Mark Abraham
[gmx-users] Settles vs. 3 normal constraints (energy conservation problem) Mark Abraham
[gmx-users] remd analysis Mark Abraham
[gmx-users] EM problem Mark Abraham
[gmx-users] Intel vs gcc compilers Mark Abraham
[gmx-users] AMBER to GROMACS conversion Mark Abraham
[gmx-users] Tabulated angles - how to use? Mark Abraham
[gmx-users] Fwd: Gromac trr analysis, wired interacation Mark Abraham
[gmx-users] Protein RMSD high Mark Abraham
[gmx-users] REMD Mark Abraham
[gmx-users] Installation on Ubuntu 12.04LTS Mark Abraham
[gmx-users] clarification of equation 4.65 Mark Abraham
[gmx-users] g_energy units Mark Abraham
[gmx-users] 1-4 interactions free energy calculations Sonia Aguilera
[gmx-users] Re: 1-4 interactions free energy calculations Sonia Aguilera
[gmx-users] Re: 1-4 interactions free energy calculations Sonia Aguilera
[gmx-users] g_correlation tool for gromacs-4.5.x Navjeet Ahalawat
[gmx-users] (no subject) Saeid Akbarshahi
[gmx-users] Case sensitivity in atomtypes Alan
[gmx-users] GPU problem Albert
[gmx-users] GPU problem Albert
[gmx-users] why mass and charge is zero? Albert
[gmx-users] why mass and charge is zero? Albert
[gmx-users] GPU ECC question Albert
[gmx-users] shall we use double precision? Albert
[gmx-users] shall we use double precision? Albert
[gmx-users] problem with charmm2gromacs-pvm.py Albert
[gmx-users] multiple chain restrain problem Albert
[gmx-users] multiple chain restrain problem Albert
[gmx-users] Re: mdrun segmentation fault for new build of gromacs 4.6.1 Amil Anderson
[gmx-users] Re: mdrun segmentation fault for new build of gromacs 4.6.1 Amil Anderson
[gmx-users] Re: mdrun segmentation fault for new build of gromacs 4.6.1 Amil Anderson
[gmx-users] Re: mdrun segmentation fault for new build of gromacs 4.6.1 Amil Anderson
[gmx-users] Re: mdrun segmentation fault for new build of gromacs 4.6.1 Amil Anderson
[gmx-users] mdrun segmentation fault for new build of gromacs 4.6.1 Amil G. Anderson
[gmx-users] Projection of crystal structure on PCA plot Anirban
[gmx-users] Projection of crystal structure on PCA plot Anirban
[gmx-users] Projection of crystal structure on PCA plot Anirban
[gmx-users] water position restraints Shima Arasteh
[gmx-users] water position restraints Shima Arasteh
[gmx-users] restraints on water oxygen atoms Shima Arasteh
[gmx-users] restraints on water oxygen atoms Shima Arasteh
[gmx-users] restraints on water oxygen atoms Shima Arasteh
[gmx-users] restraints on water oxygen atoms Shima Arasteh
[gmx-users] restraints on water oxygen atoms Shima Arasteh
[gmx-users] restraints on water oxygen atoms Shima Arasteh
[gmx-users] InflateGRO methodology deletion radius Shima Arasteh
[gmx-users] InflateGRO methodology deletion radius Shima Arasteh
[gmx-users] InflateGRO methodology deletion radius Shima Arasteh
[gmx-users] grompp error Hasni Arsad
[gmx-users] grompp error Hasni Arsad
[gmx-users] grompp error Hasni Arsad
[gmx-users] grompp error Hasni Arsad
[gmx-users] xx of the xxxx bonded interactions couldn't be calculated Badamkhatan
[gmx-users] Settles vs. 3 normal constraints (energy conservation problem) S. Alireza Bagherzadeh
[gmx-users] Re: Settles vs. 3 normal constraints (energy conservation problem) S. Alireza Bagherzadeh
[gmx-users] Problems building gromacs 4.6 Colin Bannister
[gmx-users] Tutor directory in gromacs 4.6 Colin Bannister
[gmx-users] Genbox center of box Matt Bawn
[gmx-users] Re: Genbox center of box Matt Bawn
[gmx-users] Re: Genbox center of box Matt Bawn
[gmx-users] Re: Genbox center of box Matt Bawn
[gmx-users] How to compile/run Gromacs on native Infiniband? Bert
[gmx-users] g_energy units Leandro Bortot
[gmx-users] removal of the initial periodicity by editconf Andrew Bostick
[gmx-users] removal of the initial periodicity by editconf Andrew Bostick
[gmx-users] removal of the initial periodicity by editconf Andrew Bostick
[gmx-users] removal of the initial periodicity by editconf Andrew Bostick
[gmx-users] OPLSAA.ff Broadbent, Richard
[gmx-users] Settles vs. 3 normal constraints (energy conservation problem) Broadbent, Richard
[gmx-users] Issues with energy when running in the microcanonical ensemble C.M.Sampson
[gmx-users] cation-pi interaction Dr. Vitaly Chaban
[gmx-users] Can we connect two boxes together for the simulation? Dr. Vitaly Chaban
[gmx-users] Can we connect two boxes together for the simulation? Dr. Vitaly Chaban
[gmx-users] ngmx not installed in gmx4.6.1 Dr. Vitaly Chaban
[gmx-users] shall we use double precision? Dr. Vitaly Chaban
[gmx-users] Constraints of distance Dr. Vitaly Chaban
[gmx-users] A charge group moved too far between two domain decomposition steps Dr. Vitaly Chaban
[gmx-users] stay at some temperature during annealing Dr. Vitaly Chaban
[gmx-users] A charge group moved too far between two domain decomposition steps Dr. Vitaly Chaban
[gmx-users] Constraints of distance Dr. Vitaly Chaban
[gmx-users] Membrane Equilibration Dr. Vitaly Chaban
[gmx-users] System does not heat up to 300K. Dr. Vitaly Chaban
[gmx-users] System expansion Dr. Vitaly Chaban
[gmx-users] How to modify the code g_hbond to analyze the non-traditional hydrogen bonds like C-H...O Wu Chaofu
[gmx-users] GPU problem Chandan Choudhury
[gmx-users] ngmx not installed in gmx4.6.1 Chandan Choudhury
[gmx-users] ngmx not installed in gmx4.6.1 Chandan Choudhury
[gmx-users] Unable to download Gromacs source tar file Chandan Choudhury
[gmx-users] Tutor directory in gromacs 4.6 Chandan Choudhury
[gmx-users] CUDA with QUADRO GPUs? Ramon Crehuet
[gmx-users] Test Particle Insertion João M. Damas
[gmx-users] TPI Results differ in v4.5.7 and v4.6.1 João M. Damas
[gmx-users] TPI Results differ in v4.5.7 and v4.6.1 João M. Damas
[gmx-users] Re: QM/MM simulations DavidPO
[gmx-users] Re: QM/MM simulations DavidPO
[gmx-users] Re: QM/MM simulations DavidPO
[gmx-users] Case sensitivity in atomtypes Baptiste Demoulin
[gmx-users] Case sensitivity in atomtypes Baptiste Demoulin
[gmx-users] atomtype names case INsensitive? Baptiste Demoulin
[gmx-users] still dealing with GFP-like chromophore with LINCS warnings Baptiste Demoulin
[gmx-users] Unknown bond_atomtype C2 Nilesh Dhumal
[gmx-users] No default Ryckaert-Bell. types Nilesh Dhumal
[gmx-users] No default Ryckaert-Bell. types Nilesh Dhumal
AW: [gmx-users] to print parameters used from force field Florian Dommert
[gmx-users] Problem in RMSD plot Sainitin Donakonda
[gmx-users] Visualize Protein ligand complex Sainitin Donakonda
[gmx-users] free energy calculations of methane in water computed by GMX ver 4.5.7 and ver 4.6.2 Dwey
[gmx-users] Re: free energy calculations of methane in water computed by GMX ver 4.5.7 and ver 4.6.2 Dwey
[gmx-users] GPU / CPU load imblance Dwey
[gmx-users] Re: Specific question regarding SPC water model Someone Else
[gmx-users] Gromacs 4.5.5 Emmanuel, Alaina
[gmx-users] Re: Gromacs 4.5.5 Emmanuel, Alaina
[gmx-users] Gromacs 4.5.5 Emmanuel, Alaina
[gmx-users] Re: Gromacs 4.5.5 Emmanuel, Alaina
[gmx-users] pdb2gmx Valentina Erastova
[gmx-users] sequentially fitting each frame of one trajectory to each frame of another trajectory Thomas Evangelidis
[gmx-users] sequentially fitting each frame of one trajectory to each frame of another trajectory Thomas Evangelidis
[gmx-users] Overlap between PC motions Miguel Ángel Mompeán García
[gmx-users] segemntation fault after run do_dssp Nur Syafiqah Abdul Ghani
[gmx-users] Re: Free Energy Calculations in Gromacs JW Gibbs
[gmx-users] Re: restraints on water oxygen atoms JW Gibbs
[gmx-users] Re: Membrane Equilibration JW Gibbs
[gmx-users] Re: Membrane Equilibration JW Gibbs
[gmx-users] Re: Free Energy Calculations in Gromacs JW Gibbs
[gmx-users] Re: Details of umbrella sampling simulation JW Gibbs
[gmx-users] Running gmx-4.6.x over multiple homogeneous nodes with GPU acceleration João Henriques
[gmx-users] Running gmx-4.6.x over multiple homogeneous nodes with GPU acceleration João Henriques
[gmx-users] Running gmx-4.6.x over multiple homogeneous nodes with GPU acceleration João Henriques
[gmx-users] Running gmx-4.6.x over multiple homogeneous nodes with GPU acceleration João Henriques
[gmx-users] Running gmx-4.6.x over multiple homogeneous nodes with GPU acceleration João Henriques
[gmx-users] System does not heat up to 300K. Marc Hoemberger
[gmx-users] System does not heat up to 300K. Marc Hömberger
[gmx-users] About the binary identical results by restarting from the checkpoint file Cuiying Jian
[gmx-users] RE: About the binary identical results by restarting from the checkpoint file Cuiying Jian
[gmx-users] RE: About the binary identical results by restarting from the checkpoint file Cuiying Jian
[gmx-users] RE: About the binary identical results by restarting from the checkpoint file Cuiying Jian
[gmx-users] RE: Re: RE: About the binary identical results by restarting from the checkpoint file Cuiying Jian
[gmx-users] RE: Re: RE: Re: RE: About the binary identical results by restarting from the checkpoint file Cuiying Jian
[gmx-users] CG angle distribution Djurre de Jong-Bruinink
[gmx-users] Intel vs gcc compilers Djurre de Jong-Bruinink
[gmx-users] Intel vs gcc compilers Djurre de Jong-Bruinink
[gmx-users] Re: Unable to download Gromacs source tar file Christoph Junghans
[gmx-users] Can we connect two boxes together for the simulation? Bao Kai
[gmx-users] Can we connect two boxes together for the simulation? Bao Kai
[gmx-users] question regarding mutation from CH --> COH during free energy calculation Hyunjin Kim
[gmx-users] question regarding mutation from CH --> COH during free energy calculation Hyunjin Kim
[gmx-users] unit conversion Hyunjin Kim
[gmx-users] Visualize Protein ligand complex Thales Kronenberger
[gmx-users] Dear Sir Sathish Kumar
[gmx-users] Membrane Equilibration HANNIBAL LECTER
[gmx-users] Extending Simulations HANNIBAL LECTER
[gmx-users] Intel vs gcc compilers Pedro Lacerda
[gmx-users] Removing Water from Final Simulation Reid Van Lehn
[gmx-users] g_density -center issues (GMX version 4.6) Reid Van Lehn
[gmx-users] About Checkpoint error in gromacs 4.6 Justin Lemkul
[gmx-users] OPLS-AA to CHARMM conversion in gromacs ffnonbonded.itp Justin Lemkul
[gmx-users] Compilation error Justin Lemkul
[gmx-users] water position restraints Justin Lemkul
[gmx-users] Setting total simulation time Justin Lemkul
[gmx-users] Specific question regarding SPC water model Justin Lemkul
[gmx-users] Re: Specific question regarding SPC water model Justin Lemkul
[gmx-users] assembling trajectory files Justin Lemkul
[gmx-users] About Concatenation of several trajectory files Justin Lemkul
[gmx-users] About Physaica Parameter Justin Lemkul
[gmx-users] problem using g_lie Justin Lemkul
[gmx-users] High Initial generated Temp Justin Lemkul
[gmx-users] About Physical parameters Justin Lemkul
[gmx-users] Can we connect two boxes together for the simulation? Justin Lemkul
[gmx-users] Can we connect two boxes together for the simulation? Justin Lemkul
[gmx-users] how to add sodium acetate Justin Lemkul
[gmx-users] About coulmb & Vanderrwalls cutoff Justin Lemkul
[gmx-users] High Initial generated Temp Justin Lemkul
[gmx-users] High Initial generated Temp Justin Lemkul
[gmx-users] Re: oxidized lipid - Peroxidated lipid Justin Lemkul
[gmx-users] GPU problem Justin Lemkul
[gmx-users] pdb2gmx Justin Lemkul
[gmx-users] About coulmb & Vanderrwalls cutoff Justin Lemkul
[gmx-users] About coulmb & Vanderrwalls cutoff Justin Lemkul
[gmx-users] restraints on water oxygen atoms Justin Lemkul
[gmx-users] Quartic angle potential - how to use? Justin Lemkul
[gmx-users] diherdal psi vs angle teta plot Justin Lemkul
[gmx-users] Snapshot and co-ordinate query Justin Lemkul
[gmx-users] Segmentation fault (core dumped) Justin Lemkul
[gmx-users] Re: pullx file content with pull_geometry = position Justin Lemkul
[gmx-users] No default Ryckaert-Bell. types Justin Lemkul
[gmx-users] No default Ryckaert-Bell. types Justin Lemkul
[gmx-users] xx of the xxxx bonded interactions couldn't be calculated Justin Lemkul
[gmx-users] Re: using previous window restart file Justin Lemkul
[gmx-users] User-define non bonded table Justin Lemkul
[gmx-users] User-define non bonded table Justin Lemkul
[gmx-users] User-define non bonded table Justin Lemkul
[gmx-users] maining helix conformation Justin Lemkul
[gmx-users] changing the version of file Justin Lemkul
[gmx-users] distance_restraints Justin Lemkul
[gmx-users] restraints on water oxygen atoms Justin Lemkul
[gmx-users] Quartic angle potential - how to use? Justin Lemkul
[gmx-users] Angles not read Justin Lemkul
[gmx-users] Angles not read Justin Lemkul
[gmx-users] Angles not read Justin Lemkul
[gmx-users] Angles not read Justin Lemkul
[gmx-users] Angles not read Justin Lemkul
[gmx-users] Angles not read Justin Lemkul
[gmx-users] Angles not read Justin Lemkul
[gmx-users] Seeing Martini membrane trajectory files Justin Lemkul
[gmx-users] restraints on water oxygen atoms Justin Lemkul
[gmx-users] Genbox center of box Justin Lemkul
[gmx-users] restraints on water oxygen atoms Justin Lemkul
[gmx-users] Re: Genbox center of box Justin Lemkul
[gmx-users] Re: Free Energy Calculations in Gromacs Justin Lemkul
[gmx-users] Re: Genbox center of box Justin Lemkul
[gmx-users] Error in grompp minimization Justin Lemkul
[gmx-users] stay at some temperature during annealing Justin Lemkul
[gmx-users] A charge group moved too far between two domain decomposition steps Justin Lemkul
[gmx-users] restraints on water oxygen atoms Justin Lemkul
[gmx-users] Angles not read Justin Lemkul
[gmx-users] Constraints of distance Justin Lemkul
[gmx-users] Re: restraints on water oxygen atoms Justin Lemkul
Fwd: Re: [gmx-users] restraints on water oxygen atoms Justin Lemkul
[gmx-users] A charge group moved too far between two domain decomposition steps Justin Lemkul
[gmx-users] Constraints of distance Justin Lemkul
[gmx-users] A charge group moved too far between two domain decomposition steps Justin Lemkul
[gmx-users] Membrane Equilibration Justin Lemkul
[gmx-users] Re: Membrane Equilibration Justin Lemkul
[gmx-users] System does not heat up to 300K. Justin Lemkul
[gmx-users] Constraints of distance Justin Lemkul
[gmx-users] [ defaults ] and nonbonded Justin Lemkul
[gmx-users] Re: distance_restraints Justin Lemkul
[gmx-users] Tutor directory in gromacs 4.6 Justin Lemkul
[gmx-users] Nonbonded parameters Justin Lemkul
[gmx-users] Nonbonded parameters Justin Lemkul
[gmx-users] Nonbonded parameters Justin Lemkul
[gmx-users] Nonbonded parameters Justin Lemkul
[gmx-users] Quartic Angle Justin Lemkul
[gmx-users] Fw: charmm27 in gromacs- grompp error Justin Lemkul
[gmx-users] Problem in RMSD plot Justin Lemkul
[gmx-users] refcoord_scaling = com Justin Lemkul
[gmx-users] Steepest Descents in vacuo Justin Lemkul
[gmx-users] Re: refcoord_scaling = com Justin Lemkul
[gmx-users] Failed to lock: md.log. Justin Lemkul
[gmx-users] Re: Steepest Descents in vacuo Justin Lemkul
[gmx-users] Re: System equilibrium problems Justin Lemkul
[gmx-users] choosing box vectors Justin Lemkul
[gmx-users] Re: System equilibrium problems Justin Lemkul
[gmx-users] choosing box vectors Justin Lemkul
[gmx-users] choosing box vectors Justin Lemkul
[gmx-users] InflateGRO methodology deletion radius Justin Lemkul
[gmx-users] System broken after energy minimization Justin Lemkul
[gmx-users] g_mindist Justin Lemkul
[gmx-users] Distance.dat file in umbrella sampling Justin Lemkul
[gmx-users] Re: QM/MM simulations Justin Lemkul
[gmx-users] gromos force field in PRODRG server Justin Lemkul
[gmx-users] How to check if one protein broke into fragments during MD? Justin Lemkul
[gmx-users] list of missing LJ-14 interactions: Justin Lemkul
[gmx-users] Re: MD run - gen_vel Justin Lemkul
[gmx-users] Re: How to check if one protein broke into fragments during MD? Justin Lemkul
[gmx-users] question regarding mutation from CH --> COH during free energy calculation Justin Lemkul
[gmx-users] g_sas on pdb files Justin Lemkul
[gmx-users] Re: g_sas on pdb files Justin Lemkul
[gmx-users] Quartic angle potential - how to use? Justin Lemkul
[gmx-users] Virtual sites parameters Justin Lemkul
[gmx-users] Membrane Runs Crashing Justin Lemkul
[gmx-users] Re: Membrane Runs Crashing Justin Lemkul
[gmx-users] InflateGRO methodology deletion radius Justin Lemkul
[gmx-users] Re: QM/MM simulations Justin Lemkul
[gmx-users] InflateGRO methodology deletion radius Justin Lemkul
[gmx-users] Re: QM/MM simulations Justin Lemkul
[gmx-users] Re: Membrane Runs Crashing Justin Lemkul
[gmx-users] cholesteryl oleate parameters-reg Justin Lemkul
[gmx-users] how to describe the change of channel in the MD Justin Lemkul
[gmx-users] Running a Demo Calculation Justin Lemkul
[gmx-users] Re: Your Response to my GROMACS question Justin Lemkul
[gmx-users] Error while using genion Justin Lemkul
[gmx-users] Decouple Justin Lemkul
[gmx-users] Decouple Justin Lemkul
[gmx-users] (no subject) Justin Lemkul
[gmx-users] free energy calculations of methane in water computed by GMX ver 4.5.7 and ver 4.6.2 Justin Lemkul
[gmx-users] removal of the initial periodicity by editconf Justin Lemkul
[gmx-users] Re: free energy calculations of methane in water computed by GMX ver 4.5.7 and ver 4.6.2 Justin Lemkul
[gmx-users] removal of the initial periodicity by editconf Justin Lemkul
[gmx-users] radial distribution function gAB (r, theta) Justin Lemkul
[gmx-users] Error while using genion Justin Lemkul
[gmx-users] Re: Error while using genion Justin Lemkul
[gmx-users] 1-4 interactions free energy calculations Justin Lemkul
[gmx-users] Re: 1-4 interactions free energy calculations Justin Lemkul
[gmx-users] GPU / CPU load imblance Justin Lemkul
[gmx-users] Re: greetings Justin Lemkul
[gmx-users] Re: QM/MM simulations Justin Lemkul
[gmx-users] g__dist calculate the distance of two residues from different loops Justin Lemkul
[gmx-users] Extending Simulations Justin Lemkul
[gmx-users] Re: Membrane Runs Crashing Justin Lemkul
[gmx-users] Dear Sir Justin Lemkul
[gmx-users] multiple chain restrain problem Justin Lemkul
[gmx-users] Gromacs 4.5.4 and Gromacs 4.5.5 give different results Justin Lemkul
[gmx-users] Gromacs 4.5.4 and Gromacs 4.5.5 give different results Justin Lemkul
[gmx-users] Performance of Gromacs-4.6.1 on BlueGene/Q Jianguo Li
[gmx-users] Performance of Gromacs-4.6.1 on BlueGene/Q Jianguo Li
[gmx-users] Performance of Gromacs-4.6.1 on BlueGene/Q Jianguo Li
[gmx-users] Failed to lock: md.log. Jianguo Li
[gmx-users] eletrical filed issue Tong Li
[gmx-users] Gromacs GPU system question Mare Libero
[gmx-users] Installation on Ubuntu 12.04LTS Mare Libero
[gmx-users] Installation on Ubuntu 12.04LTS Mare Libero
[gmx-users] pullx file content with pull_geometry = position Bastien Loubet
[gmx-users] Re: pullx file content with pull_geometry = position Bastien Loubet
[gmx-users] Virtual sites parameters Bastien Loubet
[gmx-users] Creating a monolayer from Martini bilayer Gunther Lukat
[gmx-users] maining helix conformation Sanku M
[gmx-users] dssp works fine, but do_dssp gives fatal error Nikunj Maheshwari
[gmx-users] dssp works fine, but do_dssp gives fatal error Nikunj Maheshwari
[gmx-users] dssp works fine, but do_dssp gives fatal error Nikunj Maheshwari
[gmx-users] dssp works fine, but do_dssp gives fatal error Nikunj Maheshwari
[gmx-users] dssp works fine, but do_dssp gives fatal error Nikunj Maheshwari
[gmx-users] Binding free energy calculation by thermodynamic integration Moutusi Manna
[gmx-users] still dealing with GFP-like chromophore with LINCS warnings Anna Marabotti
[gmx-users] About Checkpoint error in gromacs 4.6 Erik Marklund
[gmx-users] Vritual Sites and simulation time-step Erik Marklund
[gmx-users] segemntation fault after run do_dssp Erik Marklund
[gmx-users] segemntation fault after run do_dssp Erik Marklund
[gmx-users] dssp works fine, but do_dssp gives fatal error Erik Marklund
[gmx-users] dssp works fine, but do_dssp gives fatal error Erik Marklund
[gmx-users] dssp works fine, but do_dssp gives fatal error Erik Marklund
[gmx-users] Umbrella Sampling Force component output Erik Marklund
[gmx-users] autocorrelation output g_hbond Erik Marklund
[gmx-users] autocorrelation output g_hbond Erik Marklund
[gmx-users] double sum over neighbor list Sikandar Mashayak
[gmx-users] velocity-verlet giving nans Sikandar Mashayak
[gmx-users] structure alignement :g_rmsdist Nawel Mele
[gmx-users] structure alignement :g_rmsdist Nawel Mele
[gmx-users] structure alignement :g_rmsdist Nawel Mele
[gmx-users] structure alignement :g_rmsdist Nawel Mele
[gmx-users] Thought you'd find this interesting Anil Mhashal
[gmx-users] Thought you'd find this interesting Anil Mhashal
[gmx-users] TPI Results differ in v4.5.7 and v4.6.1 Niels Müller
[gmx-users] TPI Results differ in v4.5.7 and v4.6.1 Niels Müller
[gmx-users] cation-pi interaction Christopher Neale
[gmx-users] clarification of equation 4.65 Christopher Neale
[gmx-users] Creating a monolayer from Martini bilayer Neha
[gmx-users] Re: Creating a monolayer from Martini bilayer Neha
[gmx-users] Re: Creating a monolayer from Martini bilayer Neha
[gmx-users] Is non-linear data output/storage possible? Neha
[gmx-users] Getting .edr file data as a generic data file Neha
[gmx-users] Seeing Martini membrane trajectory files Neha
[gmx-users] Membrane Equilibration Neha
[gmx-users] Re: Membrane Equilibration Neha
[gmx-users] Re: Membrane Equilibration Neha
[gmx-users] Membrane Runs Crashing Neha
[gmx-users] Re: Membrane Equilibration Neha
[gmx-users] Re: Membrane Runs Crashing Neha
[gmx-users] Re: Membrane Runs Crashing Neha
[gmx-users] Re: Membrane Runs Crashing Neha
[gmx-users] Extending Simulations Neha
[gmx-users] Re: Membrane Runs Crashing Neha
[gmx-users] CG angle distribution Steven Neumann
[gmx-users] Quartic angle potential - how to use? Steven Neumann
[gmx-users] diherdal psi vs angle teta plot Steven Neumann
[gmx-users] User-define non bonded table Steven Neumann
[gmx-users] User-define non bonded table Steven Neumann
[gmx-users] User-define non bonded table Steven Neumann
[gmx-users] User-define non bonded table Steven Neumann
[gmx-users] User-define non bonded table Steven Neumann
[gmx-users] Quartic angle potential - how to use? Steven Neumann
[gmx-users] Angles not read Steven Neumann
[gmx-users] Angles not read Steven Neumann
[gmx-users] Angles not read Steven Neumann
[gmx-users] Angles not read Steven Neumann
[gmx-users] Angles not read Steven Neumann
[gmx-users] Angles not read Steven Neumann
[gmx-users] Angles not read Steven Neumann
[gmx-users] Angles not read Steven Neumann
[gmx-users] Constraints of distance Steven Neumann
[gmx-users] Constraints of distance Steven Neumann
[gmx-users] Constraints of distance Steven Neumann
[gmx-users] [ defaults ] and nonbonded Steven Neumann
[gmx-users] [ defaults ] and nonbonded Steven Neumann
[gmx-users] Nonbonded parameters Steven Neumann
[gmx-users] Nonbonded parameters Steven Neumann
[gmx-users] Nonbonded parameters Steven Neumann
[gmx-users] Nonbonded parameters Steven Neumann
[gmx-users] Nonbonded parameters Steven Neumann
[gmx-users] Nonbonded parameters Steven Neumann
[gmx-users] Nonbonded parameters Steven Neumann
[gmx-users] Nonbonded parameters Steven Neumann
[gmx-users] Nonbonded parameters Steven Neumann
[gmx-users] Nonbonded parameters Steven Neumann
[gmx-users] Quartic Angle Steven Neumann
[gmx-users] Quartic Angle Steven Neumann
[gmx-users] Quartic angle potential - how to use? Steven Neumann
[gmx-users] Quartic angle potential - how to use? Steven Neumann
[gmx-users] Quartic angle potential - how to use? Steven Neumann
[gmx-users] Quartic angle potential - how to use? Steven Neumann
[gmx-users] Can't read 1048576 bytes of 'pullx500.xvg' to compute checksum. Steven Neumann
[gmx-users] Can't read 1048576 bytes of 'pullx500.xvg' to compute checksum. Steven Neumann
[gmx-users] Tabulated angles - how to use? Steven Neumann
[gmx-users] Details of umbrella sampling simulation Kieu Thu Nguyen
[gmx-users] Re: Details of umbrella sampling simulation Kieu Thu Nguyen
[gmx-users] System broken after energy minimization Kieu Thu Nguyen
[gmx-users] Distance.dat file in umbrella sampling Kieu Thu Nguyen
[gmx-users] EM problem Kieu Thu Nguyen
[gmx-users] Pulling Kieu Thu Nguyen
[gmx-users] Tabulated Potentials O'Neill, David
[gmx-users] OPLSAA.ff Hari Pandey
[gmx-users] Decouple Hari Pandey
[gmx-users] (no subject) Hari Pandey
[gmx-users] Tempereture coupling and heat flux on each part Hari Pandey
[gmx-users] Performance of Gromacs-4.6.1 on BlueGene/Q XAvier Periole
[gmx-users] Enthalpy Confusion Jeffery Perkins
[gmx-users] Re: Enthalpy Confusion Jeffery Perkins
[gmx-users] Re: Enthalpy Confusion Jeffery Perkins
[gmx-users] Re: Enthalpy Confusion Jeffery Perkins
[gmx-users] Re: Enthalpy Confusion Jeffery Perkins
[gmx-users] Re: Enthalpy Confusion Jeffery Perkins
[gmx-users] Re: Enthalpy Confusion Jeffery Perkins
[gmx-users] Test Particle Insertion Phan, Anh T.
[gmx-users] RE: Test Particle Insertion Phan, Anh T.
[gmx-users] Segmentation fault (core dumped) Ishwor Poudyal
[gmx-users] gmx 4.6.2 segementation fault (core dump) Szilárd Páll
[gmx-users] gmx 4.6.2 segementation fault (core dump) Szilárd Páll
[gmx-users] How to compile/run Gromacs on native Infiniband? Szilárd Páll
[gmx-users] Running gmx-4.6.x over multiple homogeneous nodes with GPU acceleration Szilárd Páll
[gmx-users] GPU problem Szilárd Páll
[gmx-users] problems with GROMACS 4.6.2 Szilárd Páll
[gmx-users] GPU ECC question Szilárd Páll
[gmx-users] Running gmx-4.6.x over multiple homogeneous nodes with GPU acceleration Szilárd Páll
[gmx-users] Re: mdrun segmentation fault for new build of gromacs 4.6.1 Szilárd Páll
[gmx-users] Re: mdrun segmentation fault for new build of gromacs 4.6.1 Szilárd Páll
[gmx-users] CUDA with QUADRO GPUs? Szilárd Páll
[gmx-users] Gromacs GPU system question Szilárd Páll
[gmx-users] Gromacs GPU system question Szilárd Páll
[gmx-users] TPI Results differ in v4.5.7 and v4.6.1 Szilárd Páll
[gmx-users] Gromacs GPU system question Szilárd Páll
[gmx-users] Installation on Ubuntu 12.04LTS Szilárd Páll
[gmx-users] AMBER to GROMACS conversion Bruce D. Ray
[gmx-users] Re: Tabulated Potentials Andrish Reddy
[gmx-users] Regarding mdrun Venkat Reddy
[gmx-users] Umbrella Sampling Force component output Kenny Bravo Rodriguez
[gmx-users] Umbrella Sampling Force component output Kenny Bravo Rodriguez
[gmx-users] question about g_mindist Mahin Saberi
[gmx-users] g_mindist Mahin Saberi
[gmx-users] assembling trajectory files Souilem Safa
[gmx-users] assembling trajectory files Souilem Safa
[gmx-users] changing the version of file Souilem Safa
[gmx-users] changing the version of file Souilem Safa
[gmx-users] building OLPSAA force field Souilem Safa
[gmx-users] building OLPSAA force field Souilem Safa
[gmx-users] Error in grompp minimization Souilem Safa
[gmx-users] Error in grompp minimization Souilem Safa
[gmx-users] A charge group moved too far between two domain decomposition steps Souilem Safa
[gmx-users] equilibration error Souilem Safa
[gmx-users] charmm27 in gromacs- grompp error Revthi Sanker
[gmx-users] Fw: charmm27 in gromacs- grompp error Revthi Sanker
[gmx-users] lipid parmaters Revthi Sanker
[gmx-users] cholesteryl oleate parameters-reg Revthi Sanker
[gmx-users] Gromacs 4.5.4 and Gromacs 4.5.5 give different results Sapna Sarupria
[gmx-users] Gromacs 4.5.4 and Gromacs 4.5.5 give different results Sapna Sarupria
[gmx-users] System expansion Oliver Schillinger
[gmx-users] Thought you'd find this interesting Oliver Schillinger
[gmx-users] Re: umbrella sampling for two polymer interaction Thomas Schlesier
[gmx-users] Re: Pulling Thomas Schlesier
[gmx-users] mdrun segmentation fault for new build of gromacs 4.6.1 Roland Schulz
[gmx-users] Re: mdrun segmentation fault for new build of gromacs 4.6.1 Roland Schulz
[gmx-users] Re: mdrun segmentation fault for new build of gromacs 4.6.1 Roland Schulz
[gmx-users] Re: mdrun segmentation fault for new build of gromacs 4.6.1 Roland Schulz
[gmx-users] Unable to download Gromacs source tar file Bhamy Maithry Shenoy
[gmx-users] Unable to download Gromacs source tar file Bhamy Maithry Shenoy
[gmx-users] Unable to download Gromacs source tar file Bhamy Maithry Shenoy
[gmx-users] Unable to download Gromacs source tar file Bhamy Maithry Shenoy
[gmx-users] Re: Unable to download Gromacs source tar file Bhamy Maithry Shenoy
[gmx-users] Default Electrostatic Algorithm for User Defined Potential Shi, Yu (shiy4)
[gmx-users] Re: Nose-Hover chains for membrane protein simulation Michael Shirts
[gmx-users] Re: Nose-Hover chains for membrane protein simulation Michael Shirts
[gmx-users] Difference between the electrostatic treatments PME/Cut-offs and Reaction Field Michael Shirts
[gmx-users] Re: Free Energy Calculations in Gromacs Michael Shirts
[gmx-users] 2013 GROMACS USA Workshop and Conference Michael Shirts
[gmx-users] Re: Enthalpy Confusion Michael Shirts
[gmx-users] Re: Enthalpy Confusion Michael Shirts
[gmx-users] Re: 1-4 interactions free energy calculations Michael Shirts
[gmx-users] Re: CUDA with QUADRO GPUs Ramon Crehuet Simon
[gmx-users] Viscosity David van der Spoel
[gmx-users] viscosity David van der Spoel
[gmx-users] viscosity David van der Spoel
[gmx-users] ngmx not installed in gmx4.6.1 David van der Spoel
[gmx-users] xx of the xxxx bonded interactions couldn't be calculated David van der Spoel
[gmx-users] why mass and charge is zero? David van der Spoel
[gmx-users] Enthalpy Confusion David van der Spoel
[gmx-users] Re: Enthalpy Confusion David van der Spoel
[gmx-users] Re: Enthalpy Confusion David van der Spoel
[gmx-users] Re: Enthalpy Confusion David van der Spoel
[gmx-users] Re: Enthalpy Confusion David van der Spoel
[gmx-users] ***using output of dl_poly in gromacs??*** David van der Spoel
Fw: [gmx-users] ***using output of dl_poly in gromacs??*** David van der Spoel
[gmx-users] How to modify the code g_hbond to analyze the non-traditional hydrogen bonds like C-H...O David van der Spoel
[gmx-users] Re: Nose-Hover chains for membrane protein simulation James Starlight
[gmx-users] Vritual Sites and simulation time-step James Starlight
[gmx-users] Re: Nose-Hover chains for membrane protein simulation James Starlight
[gmx-users] Vritual Sites and simulation time-step James Starlight
[gmx-users] Vritual Sites and simulation time-step James Starlight
[gmx-users] GPU-based workstation James Starlight
[gmx-users] Distance travelled from time 0 Natalie Stephenson
[gmx-users] Test Particle Insertion Naga Rajesh Tummala
[gmx-users] Viscosity Marcelo Vanean
[gmx-users] (no subject) Marcelo Vanean
[gmx-users] viscosity Marcelo Vanean
[gmx-users] Pressure coupling Marcelo Vanean
[gmx-users] Running a Demo Calculation Raji Viswanathan
[gmx-users] Error while using genion Raji Viswanathan
[gmx-users] Re: gmx-users Digest, Vol 110, Issue 114 Raji Viswanathan
[gmx-users] Removing Water from Final Simulation Parker de Waal
[gmx-users] Removing Water from Final Simulation Parker de Waal
[gmx-users] Setting total simulation time Parker de Waal
[gmx-users] Setting total simulation time Parker de Waal
[gmx-users] System equilibrium problems Parker de Waal
[gmx-users] System equilibrium problems Parker de Waal
[gmx-users] Re: System equilibrium problems Parker de Waal
[gmx-users] Re: System equilibrium problems Parker de Waal
[gmx-users] 53A6 Heme bound Cys Parker de Waal
[gmx-users] Distance travelled from time 0 Parker de Waal
[gmx-users] AMBER to GROMACS conversion Parker de Waal
[gmx-users] AMBER to GROMACS conversion Parker de Waal
[gmx-users] gmx 4.6.2 segementation fault (core dump) Johannes Wagner
[gmx-users] frame Johannes Wagner
[gmx-users] gmx 4.6.2 segementation fault (core dump) Johannes Wagner
[gmx-users] Re: frame Johannes Wagner
[gmx-users] Creating a monolayer from Martini bilayer Mirco Wahab
[gmx-users] Unable to download Gromacs source tar file Mirco Wahab
[gmx-users] Unable to download Gromacs source tar file Mirco Wahab
[gmx-users] Re: Membrane Runs Crashing Mirco Wahab
[gmx-users] Re: Membrane Runs Crashing Mirco Wahab
[gmx-users] Gromacs GPU system question Mirco Wahab
[gmx-users] Gromacs GPU system question Mirco Wahab
[gmx-users] Removing Water from Final Simulation Dallas Warren
[gmx-users] Removing Water from Final Simulation Dallas Warren
[gmx-users] Difference between the electrostatic treatments PME/Cut-offs and Reaction Field Dallas Warren
[gmx-users] Is non-linear data output/storage possible? Dallas Warren
[gmx-users] structure alignement :g_rmsdist Tsjerk Wassenaar
[gmx-users] structure alignement :g_rmsdist Tsjerk Wassenaar
[gmx-users] Creating a monolayer from Martini bilayer Tsjerk Wassenaar
[gmx-users] Re: Creating a monolayer from Martini bilayer Tsjerk Wassenaar
[gmx-users] Re: Creating a monolayer from Martini bilayer Tsjerk Wassenaar
[gmx-users] Projection of crystal structure on PCA plot Tsjerk Wassenaar
[gmx-users] Projection of crystal structure on PCA plot Tsjerk Wassenaar
[gmx-users] Eigenvector and eigenvalues Tsjerk Wassenaar
[gmx-users] Eigenvector and eigenvalues Tsjerk Wassenaar
[gmx-users] Eigenvector and eigenvalues Tsjerk Wassenaar
[gmx-users] Re: distance_restraints Tsjerk Wassenaar
[gmx-users] Re: distance_restraints Tsjerk Wassenaar
[gmx-users] System broken after energy minimization Tsjerk Wassenaar
[gmx-users] NVT .gro for NPT Tsjerk Wassenaar
[gmx-users] a snapshot of NVT Tsjerk Wassenaar
[gmx-users] sequentially fitting each frame of one trajectory to each frame of another trajectory Tsjerk Wassenaar
[gmx-users] Distance travelled from time 0 Tsjerk Wassenaar
[gmx-users] Visualize Protein ligand complex Tsjerk Wassenaar
[gmx-users] PBC problem Tsjerk Wassenaar
[gmx-users] PBC problem Yutian Yang
[gmx-users] Problem compiling Gromacs 4.6 on BlueGene/Q Jernej Zidar
[gmx-users] [solved] Problem compiling Gromacs 4.6 on BlueGene/Q Jernej Zidar
[gmx-users] how to describe the change of channel in the MD aixintiankong
[gmx-users] how to describe the change of channel in the MD aixintiankong
[gmx-users] g__dist calculate the distance of two residues from different loops aixintiankong
[gmx-users] GROMACS on GPU sunyeping at aliyun.com
[gmx-users] gromacs on GPU sunyeping at aliyun.com
转发：[gmx-users] gromacs on GPU sunyeping at aliyun.com
[gmx-users] problem using g_lie khushboo bafna
[gmx-users] site-site Coulombic force biki
[gmx-users] Trying to obtain dcd files chinnu657
[gmx-users] Trying to get dcd files chinnu657
[gmx-users] Problems building gromacs 4.6 colinbannister
[gmx-users] Tutor directory in gromacs 4.6 colinbannister
[gmx-users] Re: Have your ever got a real NVE simulation (good energy conservation) in gromacs? cyberjhon
[gmx-users] About low PH simulation of DPPC liposomes cyberjhon
[gmx-users] Re: pdb2gmx cyberjhon
[gmx-users] Re: oxidized lipid - Peroxidated lipid dariush
[gmx-users] nvt T coupling group problem rajat desikan
[gmx-users] g_sas on pdb files erin.cutts
[gmx-users] Re: g_sas on pdb files erin.cutts
[gmx-users] Re: gmx 4.6 mpi installation through openmpi? escajarro
[gmx-users] Re: gmx 4.6 mpi installation through openmpi? escajarro
[gmx-users] nvt T coupling group problem neshat haq
[gmx-users] radial distribution function gAB (r, θ) neshat haq
[gmx-users] radial distribution function gAB (r, theta) neshat haq
[gmx-users] High Initial generated Temp tarak karmakar
[gmx-users] High Initial generated Temp tarak karmakar
[gmx-users] High Initial generated Temp tarak karmakar
[gmx-users] High Initial generated Temp tarak karmakar
[gmx-users] High Initial generated Temp tarak karmakar
[gmx-users] Protein RMSD high tarak karmakar
[gmx-users] Protein RMSD high tarak karmakar
[gmx-users] autocorrelation output g_hbond learnmd
[gmx-users] frame maggin
[gmx-users] Re: frame maggin
[gmx-users] frame in VMD maggin
[gmx-users] Re: frame maggin
[gmx-users] how to add sodium acetate maggin
[gmx-users] Re: how to add sodium acetate maggin
[gmx-users] cg Fatal error--DD cell maggin
[gmx-users] Re: cg Fatal error--DD cell maggin
[gmx-users] energ minimization: cg and I-bfgs maggin
[gmx-users] Steepest LINCS WARNING maggin
[gmx-users] Re: Steepest LINCS WARNING maggin
[gmx-users] distance_restraints maggin
[gmx-users] Re: distance_restraints maggin
[gmx-users] Re: distance_restraints maggin
[gmx-users] Re: distance_restraints maggin
[gmx-users] Re: distance_restraints maggin
[gmx-users] refcoord_scaling = com maggin
[gmx-users] Steepest Descents in vacuo maggin
[gmx-users] Re: distance_restraints maggin
[gmx-users] Re: distance_restraints maggin
[gmx-users] Re: refcoord_scaling = com maggin
[gmx-users] Re: Steepest Descents in vacuo maggin
[gmx-users] Re: Steepest Descents in vacuo maggin
[gmx-users] Re: System equilibrium problems maggin
[gmx-users] Re: Gromacs 4.5.5 maggin
[gmx-users] NVT .gro for NPT maggin
[gmx-users] a snapshot of NVT maggin
[gmx-users] a snapshot of NVT maggin
[gmx-users] Re: NVT .gro for NPT maggin
[gmx-users] Re: a snapshot of NVT maggin
[gmx-users] How to check if one protein broke into fragments during MD? maggin
[gmx-users] Re: How to check if one protein broke into fragments during MD? maggin
[gmx-users] Re: How to check if one protein broke into fragments during MD? maggin
[gmx-users] can extract edr and cpt of one frame? maggin
[gmx-users] ask for help mxy1989 at mail.ustc.edu.cn
[gmx-users] ***using output of dl_poly in gromacs??*** hamid mosaddeghi
Fw: [gmx-users] ***using output of dl_poly in gromacs??*** hamid mosaddeghi
[gmx-users] REMD run showing temperature range more than the equilibrated. suhani nagpal
[gmx-users] Snapshot and co-ordinate query Ankita naithani
[gmx-users] Snapshot and co-ordinate query Ankita naithani
[gmx-users] Eigenvector and eigenvalues Ankita naithani
Fwd: [gmx-users] Eigenvector and eigenvalues Ankita naithani
[gmx-users] Eigenvector and eigenvalues Ankita naithani
[gmx-users] fftw without SIMD francesco oteri
[gmx-users] how to describe the change of channel in the MD francesco oteri
[gmx-users] Re: umbrella sampling for two polymer interaction gromacs query
[gmx-users] using previous window restart file gromacs query
[gmx-users] Re: using previous window restart file gromacs query
[gmx-users] choosing box vectors gromacs query
[gmx-users] choosing box vectors gromacs query
[gmx-users] choosing box vectors gromacs query
[gmx-users] choosing box vectors gromacs query
[gmx-users] to print parameters used from force field gromacs query
[gmx-users] to print parameters used from force field gromacs query
[gmx-users] to print parameters used from force field gromacs query
[gmx-users] to print parameters used from force field gromacs query
[gmx-users] atomtype names case INsensitive? gromacs query
[gmx-users] atomtype names case INsensitive? gromacs query
[gmx-users] Re: Error while using genion raji_yu
[gmx-users] fattyn acid parameter in OPLSAA forcefield fatemeh ramezani
[gmx-users] XYZ Cordinates of a subsset of atoms rankinb
Aw: [gmx-users] Nose-Hover chains for membrane protein simulation lloyd riggs
[gmx-users] GPU problem lloyd riggs
Aw: Re: [gmx-users] GPU problem lloyd riggs
Aw: [gmx-users] Enthalpy Confusion lloyd riggs
Fw: Aw: [gmx-users] Enthalpy Confusion lloyd riggs
Aw: Re: [gmx-users] Re:Problems with extending runs lloyd riggs
Aw: Re: [gmx-users] Re:Problems with extending runs lloyd riggs
Aw: [gmx-users] Can't read 1048576 bytes of 'pullx500.xvg' to compute checksum. lloyd riggs
[gmx-users] Help with modified gmx_covar rohitarora
[gmx-users] Problems with simulations of a triclinic crystal lattice with Parrinello-Rahman sa
[gmx-users] grompp error massimo sandal
[gmx-users] About Checkpoint error in gromacs 4.6 vidhya sankar
[gmx-users] About Checkpoint error in gromacs 4.6 vidhya sankar
[gmx-users] About Checkpoint error in gromacs 4.6 vidhya sankar
[gmx-users] Compilation error vidhya sankar
[gmx-users] About Concatenation of several trajectory files vidhya sankar
[gmx-users] About Physaica Parameter vidhya sankar
[gmx-users] About Physical parameters vidhya sankar
[gmx-users] About coulmb & Vanderrwalls cutoff vidhya sankar
[gmx-users] About coulmb & Vanderrwalls cutoff vidhya sankar
[gmx-users] About coulmb & Vanderrwalls cutoff vidhya sankar
[gmx-users] Gromacs 4.5.4 and Gromacs 4.5.5 give different results sarupria
[gmx-users] User-define non bonded table Mohan maruthi sena
[gmx-users] gromos force field in PRODRG server shahab shariati
[gmx-users] Re: segemntation fault after run do_dssp shika
[gmx-users] gromacs 4.6.2 MPI distribution location problems sirishkaushik
[gmx-users] Re: gromacs 4.6.2 MPI distribution location problems sirishkaushik
[gmx-users] cation-pi interaction larif sofiene
[gmx-users] Problem of g_chi spin
[gmx-users] Specific question regarding SPC water model tnorgd
[gmx-users] stay at some temperature during annealing mu xiaojia
[gmx-users] stay at some temperature during annealing mu xiaojia
[gmx-users] Failed to lock: md.log. zhaowh
[gmx-users] list of missing LJ-14 interactions: 라지브간디

Last message date: Sun Jun 30 18:11:13 CEST 2013
Archived on: Thu Nov 14 12:14:28 CET 2013

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