February 2012 Archives by author

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Starting: Wed Feb 1 01:20:16 CET 2012
Ending: Wed Feb 29 22:45:56 CET 2012
Messages: 830

[gmx-users] Orders of the residues in gromacs Du Jiangfeng (BIOCH)
[gmx-users] RE: gmx-users Digest, Vol 94, Issue 24 Du Jiangfeng (BIOCH)
[gmx-users] RE: gmx-users Digest, Vol 94, Issue 24 Du Jiangfeng (BIOCH)
[gmx-users] RE: gmx-users Digest, Vol 94, Issue 27 Du Jiangfeng (BIOCH)
[gmx-users] A theoretical question Du Jiangfeng (BIOCH)
[gmx-users] RE: gmx-users Digest, Vol 94, Issue 173 Du Jiangfeng (BIOCH)
[gmx-users] amber-lipid ABEL Stephane 175950
[gmx-users] make_ndx select atoms from different residues Mark Abraham
[gmx-users] g_dist Mark Abraham
[gmx-users] can mdrun append output files without the proper .cpt? Mark Abraham
[gmx-users] A query Mark Abraham
[gmx-users] g_dist Mark Abraham
[gmx-users] problem with make_ndx Mark Abraham
[gmx-users] problem with make_ndx Mark Abraham
[gmx-users] g_analyze doubt Mark Abraham
[gmx-users] g_analyze doubt Mark Abraham
[gmx-users] Gromacs analysis tools for Namd output Mark Abraham
[gmx-users] Minimization Problems Mark Abraham
[gmx-users] Minimization Problems Mark Abraham
[gmx-users] problem with make_ndx Mark Abraham
[gmx-users] nstallations problem in open suse Mark Abraham
[gmx-users] g_dist Mark Abraham
[gmx-users] Mass fraction Mark Abraham
[gmx-users] reg. error Mark Abraham
[gmx-users] Orders of the residues in gromacs Mark Abraham
[gmx-users] trjconv select group Mark Abraham
[gmx-users] g_energy for density calculation Mark Abraham
[gmx-users] trjconv select group Mark Abraham
[gmx-users] g_energy for density calculation Mark Abraham
[gmx-users] overheating problem Mark Abraham
[gmx-users] MPI Scaling Issues Mark Abraham
[gmx-users] overheating problem Mark Abraham
[gmx-users] problem with nvt equilibration Mark Abraham
[gmx-users] Reg fatal error Mark Abraham
[gmx-users] problem with nvt equilibration Mark Abraham
[gmx-users] How to setup a system of a protein attached to a small molecule? Mark Abraham
[gmx-users] problem with topology generation of ligand Mark Abraham
[gmx-users] How to assign charge group codes to atoms of new residue -Regd Mark Abraham
[gmx-users] LINCS warning and segmentation fault for methane in 1-octanol simulation Mark Abraham
[gmx-users] Re: REMD tutorial Mark Abraham
[gmx-users] how does gromacs handle the force on the virtual site of the TIP4P model Mark Abraham
[gmx-users] Energy minimization Error Mark Abraham
[gmx-users] Shift functions Mark Abraham
[gmx-users] Shift functions Mark Abraham
[gmx-users] Energy minimization Error Mark Abraham
[gmx-users] Energy minimization Error Mark Abraham
[gmx-users] improper dihedral angle in charmm and opls aa Mark Abraham
[gmx-users] Re: improper dihedral angle in charmm and opls aa (Mark Abraham) Mark Abraham
[gmx-users] co-solvent simulation Mark Abraham
[gmx-users] charmm-gui and gromacs Mark Abraham
[gmx-users] g_rdf -surf Mark Abraham
[gmx-users] problem with index file Mark Abraham
[gmx-users] installation problem of gromacs 4.0.7 on Rocks cluster Mark Abraham
[gmx-users] Forcefield question Mark Abraham
[gmx-users] how to add potassium Mark Abraham
[gmx-users] lipid tutorial problem Mark Abraham
[gmx-users] how to add potassium Mark Abraham
[gmx-users] bug for TIP4P water in GROMACS ? Mark Abraham
[gmx-users] zero cut offs Mark Abraham
[gmx-users] zero cut offs Mark Abraham
[gmx-users] Npt equilibration of the membrane-mimicking CCl4 layer Mark Abraham
[gmx-users] FW: trjconv -dump problem Mark Abraham
[gmx-users] Domain decomposition in FEP Mark Abraham
[gmx-users] RE: trjconv -dump problem Mark Abraham
[gmx-users] Npt equilibration of the membrane-mimicking CCl4 layer Mark Abraham
[gmx-users] Npt equilibration of the membrane-mimicking CCl4 layer Mark Abraham
[gmx-users] How to use Buckingham potentials ? Mark Abraham
[gmx-users] Adding new residues and pdb2gmx Mark Abraham
[gmx-users] Question regarding freeze groups and their use Mark Abraham
[gmx-users] what does the "Coulomb (SR) mean under PME? Mark Abraham
[gmx-users] g_select -select Mark Abraham
Fwd: [gmx-users] Npt equilibration of the membrane-mimicking CCl4 layer Mark Abraham
[gmx-users] in vacu simulation Mark Abraham
[gmx-users] in vacu simulation Mark Abraham
[gmx-users] g_spatial index file Mark Abraham
[gmx-users] in vacu simulation Mark Abraham
[gmx-users] Placing ions in the specified positions Mark Abraham
Fwd: [gmx-users] Npt equilibration of the membrane-mimicking CCl4 layer Mark Abraham
Fwd: [gmx-users] Npt equilibration of the membrane-mimicking CCl4 layer Mark Abraham
[gmx-users] ABOUT gromacs Mark Abraham
[gmx-users] problems with pdb2gmx gromacs 3.3.1 version Mark Abraham
[gmx-users] NME not found in rtp Mark Abraham
[gmx-users] a question about force fields Mark Abraham
[gmx-users] The promblem of force field Mark Abraham
[gmx-users] Shift function: rcoulomb-switch Mark Abraham
[gmx-users] a question about force fields Mark Abraham
[gmx-users] Regarding DispCorr Mark Abraham
[gmx-users] Regarding DispCorr Mark Abraham
[gmx-users] Using CHARMM force fields in Gromacs, pt. 2 Mark Abraham
[gmx-users] Regarding DispCorr Mark Abraham
[gmx-users] double and single precision Mark Abraham
Sv: Re: [gmx-users] double and single precision Mark Abraham
Sv: Re: [gmx-users] double and single precision Mark Abraham
[gmx-users] water radial distribution function Mark Abraham
[gmx-users] Molecular Dynamics basics... Mark Abraham
[gmx-users] Lennard-Jones Parameters in ffnonbonded.itp Mark Abraham
[gmx-users] Scaling/performance on Gromacs 4 Mark Abraham
[gmx-users] T-coupling problem? Mark Abraham
[gmx-users] Interchain Disulfide Bond Mark Abraham
[gmx-users] Re: Interchain Disulfide Bond Mark Abraham
[gmx-users] interface Mark Abraham
[gmx-users] Distance Restraints on Protein - possible at all? Mark Abraham
[gmx-users] interface Mark Abraham
[gmx-users] Adding new residue to the the force field Mark Abraham
[gmx-users] what restraint can I use to prevent membrane diffusion along the Z-axis? Mark Abraham
[gmx-users] Fwd: how to add close proteins Mark Abraham
[gmx-users] what restraint can I use to prevent membrane diffusion along the Z-axis? Mark Abraham
[gmx-users] rc or rlist in minimum image convention? Mark Abraham
[gmx-users] Positive Coul. recip. term Mark Abraham
[gmx-users] rc or rlist in minimum image convention? Mark Abraham
[gmx-users] tabulate potential Mark Abraham
[gmx-users] Options for the buckingham potential Mark Abraham
[gmx-users] Options for the buckingham potential Mark Abraham
[gmx-users] Adding new residue to the the force field Mark Abraham
[gmx-users] Re: Internal water in the membrane receptor Mark Abraham
[gmx-users] Re: Internal water in the membrane receptor Mark Abraham
[gmx-users] li lin wants to share a link | Gromacs Mark Abraham
[gmx-users] Domain decomposition problems Mark Abraham
[gmx-users] Adding new residue to the the force field Mark Abraham
[gmx-users] Re: Internal water in the membrane receptor Mark Abraham
[gmx-users] rerun problem Mark Abraham
[gmx-users] Re: gmx-users Digest, Vol 94, Issue 159 Mark Abraham
[gmx-users] gromacs: pdb2gmx error Mark Abraham
[gmx-users] gromacs: pdb2gmx error Mark Abraham
[gmx-users] error Mark Abraham
[gmx-users] error Mark Abraham
[gmx-users] how to set up pressure in gmx? Mark Abraham
[gmx-users] Residue 'HO4' not found in residue topology database Mark Abraham
[gmx-users]mdrun using old version Mark Abraham
[gmx-users] Re: Internal water in the membrane receptor Mark Abraham
[gmx-users] tau-p value Mark Abraham
[gmx-users] Re: Internal water in the membrane receptor Mark Abraham
[gmx-users] cutting a cylinder from simulation box Mark Abraham
[gmx-users] mdrun extension and concatenation Mark Abraham
[gmx-users] query reg. Mark Abraham
[gmx-users] How to calculate Cosine content of a trajectory? Mark Abraham
[gmx-users] How to read AMBER's mdcrd files with GROMACS? Mark Abraham
[gmx-users] A theoretical question Mark Abraham
[gmx-users] adding a new residue type Mark Abraham
[gmx-users] RE: A theoretical question Mark Abraham
[gmx-users] Implicit solvent - Gromacs 4.5.4 Mark Abraham
[gmx-users] change simulation temperature Mark Abraham
[gmx-users] md step- structure fragmentation Mark Abraham
[gmx-users] using more processors for g_mindist Mark Abraham
[gmx-users] using more processors for g_mindist Mark Abraham
[gmx-users] using more processors for g_mindist Mark Abraham
[gmx-users] error Mark Abraham
[gmx-users] Re: gmx-users Digest, Vol 94, Issue 185 Mark Abraham
[gmx-users] Implicit solvent - Gromacs 4.5.4 Mark Abraham
[gmx-users] quick question about restart Mark Abraham
[gmx-users] using g_angle Mark Abraham
[gmx-users] using more processors for g_mindist Mark Abraham
[gmx-users] md in vacuo Mark Abraham
[gmx-users] using g_angle Mark Abraham
[gmx-users] mdrun -pd Mark Abraham
[gmx-users] using g_angle Mark Abraham
[gmx-users] van der waals interaction Sajad Ahrari
[gmx-users] Acpype Parameter Error? Alan
[gmx-users] a question about membrane simulation Albert
[gmx-users] a question about membrane simulation Albert
[gmx-users] T-coupling problem? Talal Alotaibi
[gmx-users] Using shell script to analyze the results Nuno Azoia
[gmx-users] problem with make_ndx Kowsar Bagherzadeh
[gmx-users] what does the "Coulomb (SR) mean under PME? Qiao Baofu
[gmx-users] g_energy for density calculation Chrisostomos Batistakis
[gmx-users] g_energy for density calculation Chrisostomos Batistakis
[gmx-users] g_rdf and lipid bilayer hydration Ioannis Beis
[gmx-users] reg. error Vishwambhar Bhandare
[gmx-users] query reg. Vishwambhar Bhandare
[gmx-users] Check out my photos on Facebook Wara Ell Boon
[gmx-users] what restraint can I use to prevent membrane diffusion along the Z-axis? Jose Borreguero
[gmx-users] what restraint can I use to prevent membrane diffusion along the Z-axis? Jose Borreguero
[gmx-users] what restraint can I use to prevent membrane diffusion along the Z-axis? Jose Borreguero
[gmx-users] COMPASS force field revisited Bond Dihedral and Angle Dihedral cross terms Richard Broadbent
[gmx-users] COMPASS force field revisited Bond Dihedral and Angle Dihedral cross terms Broadbent, Richard
[gmx-users] Scaling/performance on Gromacs 4 Floris Buelens
[gmx-users] Lennard-Jones Parameters in ffnonbonded.itp Lara Bunte
[gmx-users] Dihedrals Parametrization in the .rtpf File Lara Bunte
[gmx-users] quality of a topology and pdb2gmx Lara Bunte
[gmx-users] trajectory at vmd Turgay Cakmak
[gmx-users] Scaling/performance on Gromacs 4 Sara Campos
[gmx-users] Noise in a radial distribution function using g_bar Fabian Casteblanco
[gmx-users] Noise in a radial distribution function using g_rdf Fabian Casteblanco
[gmx-users] Determining energies between a solute and solvent Fabian Casteblanco
[gmx-users] Re: Determining energies between a solute and solvent Fabian Casteblanco
[gmx-users] Re: Determining energies between a solute and solvent Fabian Casteblanco
[gmx-users] A theoretical question Javier Cerezo
[gmx-users] extending a simulation after it get stopped because of queue time limit Chandan Choudhury
[gmx-users] g_x2top Andrew DeYoung
[gmx-users] xy option in g_rdf Andrew DeYoung
[gmx-users] Pressure coupling and membrane-type simulations Andrew DeYoung
[gmx-users] Implicit solvent - Gromacs 4.5.4 Vedat Durmaz
[gmx-users] Implicit solvent - Gromacs 4.5.4 Vedat Durmaz
[gmx-users] Implicit solvent - Gromacs 4.5.4 Vedat Durmaz
[gmx-users] using g_angle Vedat Durmaz
[gmx-users] PBC - Protein and Ligands Vedat Durmaz
[gmx-users] ABOUT gromacs Bipan Dutta
[gmx-users] Equilibration of polymer chains- gauche defects Elisabeth
[gmx-users] Shift functions Elisabeth
[gmx-users] Shift functions Elisabeth
[gmx-users] Shift functions Elisabeth
[gmx-users] double and single precision Edvin Erdtman
[gmx-users] double and single precision Edvin Erdtman
Sv: Re: [gmx-users] double and single precision Edvin Erdtman
Sv: Re: [gmx-users] double and single precision Edvin Erdtman
Sv: Re: [gmx-users] double and single precision Edvin Erdtman
[gmx-users] Forcefield question Matthias Ernst
[gmx-users] md in vacuo Thomas Evangelidis
[gmx-users] md in vacuo Thomas Evangelidis
[gmx-users] Installing GMX-GPU 4.5.5 Efrat Exlrod
[gmx-users] Gromacs-GPU benchmark test killed after exhausting the memory Efrat Exlrod
[gmx-users] FW: Gromacs-GPU benchmark test killed after exhausting the memory Efrat Exlrod
[gmx-users] Gromacs-GPU benchmark test killed after exhausting the memory Efrat Exlrod
[gmx-users] problems with martinize.py Dommert Florian
[gmx-users] Positive Coul. recip. term Dommert Florian
[gmx-users] Positive Coul. recip. term Dommert Florian
[gmx-users] Positive Coul. recip. term Dommert Florian
[gmx-users] Positive Coul. recip. term Dommert Florian
[gmx-users] Triple bond Tanos Franca
[gmx-users] Positive Coul. recip. term Denny Frost
[gmx-users] Positive Coul. recip. term Denny Frost
[gmx-users] Positive Coul. recip. term Denny Frost
[gmx-users] Positive Coul. recip. term Denny Frost
[gmx-users] Release of the R.E.D. III.5 tools FyD
[gmx-users] Using groups in the mdp file Ignacio Fernández Galván
[gmx-users] Using groups in the mdp file Ignacio Fernández Galván
[gmx-users] Re: Gromacs analysis tools for Namd output Ignacio Fernández Galván
[gmx-users] Using groups in the mdp file Ignacio Fernández Galván
[gmx-users] analysis pdb file Nathalia Garces
[gmx-users] System with 4 Hypericin Molecules in Water Hovakim Grabski
[gmx-users] HBonds with VMD Hovakim Grabski
[gmx-users] Acpype Parameter Error? Kyle Greenway
[gmx-users] Gromacs GPU tutorial at MD workshop Berk Hess
[gmx-users] g_wham with cylinder geometry Jochen Hub
[gmx-users] Umbrella sampling and WHAM along a curved pathway? Jochen Hub
[gmx-users] Umbrella sampling and WHAM along a curved pathway? HAO JIANG
[gmx-users] Umbrella sampling and WHAM along a curved pathway? HAO JIANG
[gmx-users] about the umbrella sampling potential Hao Jiang
[gmx-users] BornSum: cudaMalloc in CUDAStream::Allocate failed out of memory Adam Jion
[gmx-users] NaN error using mdrun-gpu Adam Jion
[gmx-users] NaN error for mdrun-gpu Adam Jion
[gmx-users] SWM4-NDP WATER MODEL AND IONS Abhijeet Joshi
[gmx-users] SWM4-NDP WATER MODEL AND IONS Abhijeet Joshi
[gmx-users] Wall potential Abhijeet Joshi
[gmx-users] DMPC diffusion: G54A7 Jon Kapla
[gmx-users] Regarding Cluster g_cluster Singam Karthick
[gmx-users] water radial distribution function Nidhi Katyal
[gmx-users] how to make the SiO2 host to be neutral ? Kiwoong Kim
[gmx-users] How to obtain unit cell structure from CIF file?? Kiwoong Kim
[gmx-users] how to get the block averaged MSD curve ? Kiwoong Kim
[gmx-users] Using shell script to analyze the results Kiwoong Kim
[gmx-users] Using shell script to analyze the results Kiwoong Kim
[gmx-users] Re: Using shell script to analyze the results Kathleen Kirchner
[gmx-users] Re: Placing ions in the specified positions Kathleen Kirchner
[gmx-users] MPI Scaling Issues Christoph Klein
[gmx-users] ACE - NME caps Krzysztof Kuczera
[gmx-users] RE: A theoretical question Kukol, Andreas
[gmx-users] overheating problem Kunze, Micha
[gmx-users] Re: Gromacs analysis tools for Namd output Kunze, Micha
[gmx-users] Scaling/performance on Gromacs 4 Carsten Kutzner
[gmx-users] problem with make_ndx Peter C. Lai
[gmx-users] problem with make_ndx Peter C. Lai
[gmx-users] Force Field for Vacuum simulation Peter C. Lai
[gmx-users] Force Field for Vacuum simulation Peter C. Lai
[gmx-users] Force Field for Vacuum simulation Peter C. Lai
[gmx-users] Force Field for Vacuum simulation Peter C. Lai
[gmx-users] a question about membrane simulation Peter C. Lai
[gmx-users] charmm27 in gromacs Peter C. Lai
[gmx-users] how to interpret tilt from g_helixorient? Peter C. Lai
[gmx-users] Placing ions in the specified positions Peter C. Lai
[gmx-users] Using CHARMM force fields in Gromacs, pt. 2 Peter C. Lai
[gmx-users] Re: Using CHARMM force fields in Gromacs, pt. 2 Peter C. Lai
[gmx-users] Pressure coupling and membrane-type simulations Peter C. Lai
[gmx-users] Re: Placing ions in the specified positions Peter C. Lai
[gmx-users] trjconv -dump problem Peter C. Lai
[gmx-users] HIS residue in Charmm27 Peter C. Lai
[gmx-users] problem with make_ndx Justin A. Lemkul
[gmx-users] g_dist Justin A. Lemkul
[gmx-users] Pulling multiple groups Justin A. Lemkul
[gmx-users] g_analyze doubt Justin A. Lemkul
[gmx-users] the DNA md simulation Justin A. Lemkul
[gmx-users] g_analyze doubt Justin A. Lemkul
[gmx-users] Pulling multiple groups Justin A. Lemkul
[gmx-users] g_analyze doubt Justin A. Lemkul
[gmx-users] segmantation default Justin A. Lemkul
[gmx-users] g_dist Justin A. Lemkul
[gmx-users] g_dist Justin A. Lemkul
[gmx-users] segmantation default Justin A. Lemkul
[gmx-users] g_dist Justin A. Lemkul
[gmx-users] g_dist Justin A. Lemkul
[gmx-users] chitosan parameters? Justin A. Lemkul
[gmx-users] g_dist Justin A. Lemkul
[gmx-users] segmantation default Justin A. Lemkul
[gmx-users] System with 4 Hypericin Molecules in Water Justin A. Lemkul
[gmx-users] g_dist Justin A. Lemkul
[gmx-users] Orders of the residues in gromacs Justin A. Lemkul
[gmx-users] trjconv select group Justin A. Lemkul
[Fwd: Re: [gmx-users] problems with KALP-15 IN DPPC tutorial] Justin A. Lemkul
[gmx-users] trjconv select group Justin A. Lemkul
[gmx-users] Reg error in dynamics Justin A. Lemkul
[gmx-users] Npt equilibration of the membrane-mimicking CCl4 layer Justin A. Lemkul
[gmx-users] problem with make_ndx Justin A. Lemkul
[gmx-users] Npt equilibration of the membrane-mimicking CCl4 layer Justin A. Lemkul
[gmx-users] problem with nvt equilibration Justin A. Lemkul
[gmx-users] Npt equilibration of the membrane-mimicking CCl4 layer Justin A. Lemkul
[gmx-users] amber-lipid Justin A. Lemkul
[gmx-users] Index file Justin A. Lemkul
[gmx-users] van der waals interaction Justin A. Lemkul
[gmx-users] umbrella-histogram-windows Justin A. Lemkul
[gmx-users] g_dist Justin A. Lemkul
[gmx-users] Using groups in the mdp file Justin A. Lemkul
[gmx-users] Using groups in the mdp file Justin A. Lemkul
[gmx-users] harmonic distance restraints Justin A. Lemkul
[gmx-users] g_rdf Justin A. Lemkul
[gmx-users] Error energy minimization on protein with implicit water Justin A. Lemkul
[gmx-users] LINCS warning and segmentation fault for methane in 1-octanol simulation Justin A. Lemkul
[gmx-users] Energy minimization Error Justin A. Lemkul
[gmx-users] Energy minimization Error Justin A. Lemkul
[gmx-users] Energy minimization Error Justin A. Lemkul
[gmx-users] Npt equilibration of the membrane-mimicking CCl4 layer Justin A. Lemkul
[gmx-users] lipid tutorial problem Justin A. Lemkul
[gmx-users] Umbrella Pulling Justin A. Lemkul
[gmx-users] Number of windows in umbrella sampling Justin A. Lemkul
[gmx-users] Number of windows in umbrella sampling Justin A. Lemkul
[gmx-users] Umbrella Pulling Justin A. Lemkul
[gmx-users] bug for TIP4P water in GROMACS ? Justin A. Lemkul
[gmx-users] LJ parameter : geometric / arithmetic average Justin A. Lemkul
[gmx-users] Noise in a radial distribution function using g_rdf Justin A. Lemkul
[gmx-users] GROMOS96 53a6 and PRODRG topologies Justin A. Lemkul
[gmx-users] Number of windows in umbrella sampling Justin A. Lemkul
[gmx-users] Number of windows in umbrella sampling Justin A. Lemkul
[gmx-users] Domain decomposition in FEP Justin A. Lemkul
[gmx-users] charmm27 in gromacs Justin A. Lemkul
[gmx-users] in vacu simulation Justin A. Lemkul
[gmx-users] problems with pdb2gmx gromacs 3.3.1 version Justin A. Lemkul
[gmx-users] problems with pdb2gmx gromacs 3.3.1 version Justin A. Lemkul
[gmx-users] Umbrella Pulling Justin A. Lemkul
[gmx-users] running energy minimization error Justin A. Lemkul
[gmx-users] getting dssp executable Justin A. Lemkul
[gmx-users] trajectory at vmd Justin A. Lemkul
[gmx-users] getting dssp executable Justin A. Lemkul
[gmx-users] getting dssp executable Justin A. Lemkul
[gmx-users] Umbrella Pulling Justin A. Lemkul
[gmx-users] Umbrella Pulling Justin A. Lemkul
[gmx-users] The solvation free energy of a vdw ligand Justin A. Lemkul
[gmx-users] The solvation free energy of a vdw ligand Justin A. Lemkul
[gmx-users] The solvation free energy of a vdw ligand Justin A. Lemkul
[gmx-users] Umbrella_pull_simulation Justin A. Lemkul
[gmx-users] g_analyze -ee Justin A. Lemkul
[gmx-users] Umbrella_pull_simulation Justin A. Lemkul
[gmx-users] problems with martinize.py Justin A. Lemkul
[gmx-users] Umbrella Pulling Justin A. Lemkul
[gmx-users] Umbrella_pull_simulation Justin A. Lemkul
[gmx-users] g_analyze -ee Justin A. Lemkul
[gmx-users] Umbrella Pulling Justin A. Lemkul
[gmx-users] Umbrella Pulling Justin A. Lemkul
[gmx-users] Umbrella Pulling Justin A. Lemkul
[gmx-users] T-coupling problem? Justin A. Lemkul
[gmx-users] Umbrella_pull_simulation Justin A. Lemkul
[gmx-users] how to extract the x y z Justin A. Lemkul
[gmx-users] several questions about g_hbond -contact Justin A. Lemkul
[gmx-users] Pressure coupling and membrane-type simulations Justin A. Lemkul
[gmx-users] Protonation state of the ionisable residues Justin A. Lemkul
[gmx-users] Protonation state of the ionisable residues Justin A. Lemkul
[gmx-users] Umbrella Sampling - spacing Justin A. Lemkul
[gmx-users] NPT - umbrella sampling Justin A. Lemkul
[gmx-users] Umbrella Sampling - gen_temp Justin A. Lemkul
[gmx-users] NPT - umbrella sampling Justin A. Lemkul
[gmx-users] Error note Justin A. Lemkul
[gmx-users] what restraint can I use to prevent membrane diffusion along the Z-axis? Justin A. Lemkul
[gmx-users] Error note Justin A. Lemkul
[gmx-users] Error note Justin A. Lemkul
[gmx-users] Determining energies between a solute and solvent Justin A. Lemkul
[gmx-users] Re: Determining energies between a solute and solvent Justin A. Lemkul
[gmx-users] Re: Determining energies between a solute and solvent Justin A. Lemkul
[gmx-users] Peptide protonation inside membrane Justin A. Lemkul
[gmx-users] Umbrella_pull_simulation Justin A. Lemkul
[gmx-users] about protein in periodic boundary condition.. Justin A. Lemkul
[gmx-users] Umbrella_pull_simulation Justin A. Lemkul
[gmx-users] Calculate Dihedrals Justin A. Lemkul
[gmx-users] Re: gen_temp, gen_seed Justin A. Lemkul
[gmx-users] Umbrella_pull_simulation Justin A. Lemkul
[gmx-users] HBonds with VMD Justin A. Lemkul
[gmx-users] rc or rlist in minimum image convention? Justin A. Lemkul
[gmx-users] rc or rlist in minimum image convention? Justin A. Lemkul
[gmx-users] about periodicity removal Justin A. Lemkul
[gmx-users] about periodicity removal.... Justin A. Lemkul
[gmx-users] Re: Internal water in the membrane receptor Justin A. Lemkul
[gmx-users] gromacs installation with mpi Justin A. Lemkul
[gmx-users] gromacs installation with mpi Justin A. Lemkul
[gmx-users] Re: gmx-users Digest, Vol 94, Issue 159 Justin A. Lemkul
[gmx-users] Implicit solvent - Gromacs 4.5.4 Justin A. Lemkul
[gmx-users] Umbrella_pull_simulation Justin A. Lemkul
[gmx-users] add ion SCN - in OPLS-aa ff Justin A. Lemkul
[gmx-users] Implicit solvent - Gromacs 4.5.4 Justin A. Lemkul
[gmx-users] Dihedrals Parametrization in the .rtpf File Justin A. Lemkul
[gmx-users] quality of a topology and pdb2gmx Justin A. Lemkul
[gmx-users] HIS residue in Charmm27 Justin A. Lemkul
[gmx-users] problem in mdrun Justin A. Lemkul
[gmx-users] Implicit solvent - Gromacs 4.5.4 Justin A. Lemkul
[gmx-users] Topology files Justin A. Lemkul
[gmx-users] Topology files Justin A. Lemkul
[gmx-users] Implicit solvent - Gromacs 4.5.4 Justin A. Lemkul
[gmx-users] Topology files Justin A. Lemkul
[gmx-users] change simulation temperature Justin A. Lemkul
[gmx-users] PBC - Protein and Ligands Justin A. Lemkul
[gmx-users] Correcting PBC effects Siew Wen Leong
[gmx-users] Orders of the residues in gromacs Jianguo Li
[gmx-users] water channel Jianguo Li
[gmx-users] Water Shell Density Jianguo Li
[gmx-users] the ligang topology Jianguo Li
[gmx-users] Free energy between surfaces Jianguo Li
[gmx-users] cutting a cylinder from simulation box Jianguo Li
[gmx-users] The free energy of vdw part Tanping Li
[gmx-users] The solvation free energy of a vdw ligand Tanping Li
[gmx-users] The solvation free energy of a vdw ligand Tanping Li
[gmx-users] The solvation free energy of a vdw ligand Tanping Li
[gmx-users] The solvation free energy of a vdw ligand Tanping Li
[gmx-users] The solvation free energy of small ligand in water Tanping Li
[gmx-users] How to setup a system of a protein attached to a small molecule? Qinghua Liao
[gmx-users] Invitation to connect on LinkedIn xiaojia mu via LinkedIn
[gmx-users] gromacs installation with mpi Sanku M
[gmx-users] cutting a cylinder from simulation box Sanku M
[gmx-users] Feller DOPC coordinates MPID
[gmx-users] g_wham with cylinder geometry MPID
[gmx-users] several questions about g_hbond -contact Anna Marabotti
[gmx-users] R: Re: several questions about g_hbond -contact Anna Marabotti
[gmx-users] quick question about restart Anna Marabotti
[gmx-users] can mdrun append output files without the proper .cpt? Alex Marshall
[gmx-users] HBonds with VMD Marzinek, Jan
[gmx-users] HBonds with VMD Marzinek, Jan
[gmx-users] error Marzinek, Jan
[gmx-users] the DNA md simulation Banafsheh Mehrazma
[gmx-users] the DNA md simulation Banafsheh Mehrazma
[gmx-users] a question about force fields Banafsheh Mehrazma
[gmx-users] a question about force fields Banafsheh Mehrazma
[gmx-users] adding a new residue type Banafsheh Mehrazma
[gmx-users] Re: adding a new residue type Banafsheh Mehrazma
[gmx-users] pull-code Gavin Melaugh
[gmx-users] pull-code Gavin Melaugh
[gmx-users] pull-code Gavin Melaugh
[gmx-users] pull-code Gavin Melaugh
[Fwd: Re: [gmx-users] pull-code] Gavin Melaugh
[gmx-users] Error note Gavin Melaugh
[gmx-users] Error note Gavin Melaugh
[gmx-users] zero cut offs Juliette N.
[gmx-users] zero cut offs Juliette N.
[gmx-users] in vacu simulation Juliette N.
[gmx-users] in vacu simulation Juliette N.
[gmx-users] in vacu simulation Juliette N.
[gmx-users] in vacu simulation Juliette N.
[gmx-users] Shift function: rcoulomb-switch Juliette N.
[gmx-users] Shift function: rcoulomb-switch Juliette N.
[gmx-users] rc or rlist in minimum image convention? Juliette N.
[gmx-users] rc or rlist in minimum image convention? Juliette N.
[gmx-users] rc or rlist in minimum image convention? Juliette N.
[gmx-users] rc or rlist in minimum image convention? Juliette N.
[gmx-users] Reg error in dynamics RAMYA NAGA
[gmx-users] Reg error in dynamics RAMYA NAGA
[gmx-users] Reg fatal error RAMYA NAGA
[gmx-users] Error note RAMYA NAGA
[gmx-users] Reg error RAMYA NAGA
[gmx-users] error RAMYA NAGA
[gmx-users] Gromacs analysis tools for Namd output PAUL NEWMAN
[gmx-users] Re: Gromacs analysis tools for Namd output PAUL NEWMAN
[gmx-users] Mass fraction Steven Neumann
[gmx-users] Re: Mass fraction Steven Neumann
[gmx-users] Index file Steven Neumann
[gmx-users] amber-lipid Steven Neumann
[gmx-users] g_dist Steven Neumann
[gmx-users] g_rdf Steven Neumann
[gmx-users] genbox - Umbrella Sampling Steven Neumann
[gmx-users] Re: genbox - Umbrella Sampling Steven Neumann
[gmx-users] Umbrella Sampling Steven Neumann
[gmx-users] Umbrella Pulling Steven Neumann
[gmx-users] Umbrella Pulling Steven Neumann
[gmx-users] Umbrella Pulling Steven Neumann
[gmx-users] Umbrella Pulling Steven Neumann
[gmx-users] Free energy between surfaces Steven Neumann
[gmx-users] Free energy between surfaces Steven Neumann
[gmx-users] Umbrella Pulling Steven Neumann
[gmx-users] Umbrella Pulling Steven Neumann
[gmx-users] Umbrella Pulling Steven Neumann
[gmx-users] Umbrella Pulling Steven Neumann
[gmx-users] Umbrella Sampling - spacing Steven Neumann
[gmx-users] Umbrella Sampling - spacing Steven Neumann
[gmx-users] NPT - umbrella sampling Steven Neumann
[gmx-users] Umbrella Sampling - gen_temp Steven Neumann
[gmx-users] NPT - umbrella sampling Steven Neumann
[gmx-users] gen_temp, gen_seed Steven Neumann
[gmx-users] Implicit solvent - Gromacs 4.5.4 Steven Neumann
[gmx-users] Implicit solvent - Gromacs 4.5.4 Steven Neumann
[gmx-users] Implicit solvent - Gromacs 4.5.4 Steven Neumann
[gmx-users] HIS residue in Charmm27 Steven Neumann
[gmx-users] HIS residue in Charmm27 Steven Neumann
[gmx-users] Implicit solvent - Gromacs 4.5.4 Steven Neumann
[gmx-users] Implicit solvent - Gromacs 4.5.4 Steven Neumann
[gmx-users] Implicit solvent - Gromacs 4.5.4 Steven Neumann
[gmx-users] Implicit solvent - Gromacs 4.5.4 Steven Neumann
[gmx-users] mdrun -pd Steven Neumann
[gmx-users] mdrun -pd Steven Neumann
[gmx-users] PBC - Protein and Ligands Steven Neumann
[gmx-users] Re: Gromacs analysis tools for Namd output Francesco Oteri
[gmx-users] g_rdf -surf Payman Pirzadeh
[gmx-users] g_rdf -surf Payman Pirzadeh
[gmx-users] g_rdf -surf Payman Pirzadeh
[gmx-users] rotational diffusion for non-globular proteins Paymon Pirzadeh
[gmx-users] g_select -select Paymon Pirzadeh
[gmx-users] g_spatial index file Paymon Pirzadeh
[gmx-users] Monte Carlo with Gromacs and implicit solvent Pool, R.
[gmx-users] NME not found in rtp Dialing Pretty
[gmx-users] BornSum: cudaMalloc in CUDAStream::Allocate failed out of memory Szilárd Páll
[gmx-users] H-bonds Mr Bernard Ramos
[gmx-users] topolbuild and charges Bruce D. Ray
[gmx-users] Orders of the residues in gromacs Joaquim Rui de Castro Rodrigues
[gmx-users] Topology files kirtana S
[gmx-users] Topology files kirtana S
[gmx-users] Topology files kirtana S
[gmx-users] Topology files kirtana S
[gmx-users] chitosan parameters? Madhur Sachan
[gmx-users] chitosan parameters? Madhur Sachan
[gmx-users] Npt equilibration of the membrane-mimicking, CCl4 layer Thomas Schlesier
[gmx-users] Npt equilibration of the membrane-mimicking CCl4 layer Thomas Schlesier
[gmx-users] Re: Npt equilibration of the membrane-mimicking CCl4 layer Thomas Schlesier
[gmx-users] pull-code Thomas Schlesier
[gmx-users] Umbrella Pulling Thomas Schlesier
[gmx-users] pull-code Thomas Schlesier
[gmx-users] pull-code Thomas Schlesier
[gmx-users] pull-code Thomas Schlesier
[gmx-users] trjconv -dump problem Ehud Schreiber
[gmx-users] FW: trjconv -dump problem Ehud Schreiber
[gmx-users] RE: trjconv -dump problem Ehud Schreiber
[gmx-users] Question regarding freeze groups and their use J. Nathan Scott
[gmx-users] Minimization Problems Alex Seling
[gmx-users] A query Anik Sen
[gmx-users] chains blowing away during minimization Priyanka Shah
[gmx-users] how to create a proper box size for a membrane? Ricardo O. S. Soares
[gmx-users] how to create a proper box size for a membrane? Ricardo O. S. Soares
[gmx-users] Peptide protonation inside membrane Ricardo O. S. Soares
[gmx-users] Peptide protonation inside membrane Ricardo O. S. Soares
[gmx-users] overheating problem David van der Spoel
[gmx-users] Extract Gro coordinate from trr trajectory David van der Spoel
[gmx-users] g_x2top David van der Spoel
[gmx-users] how to get the block averaged MSD curve ? David van der Spoel
[gmx-users] DMPC diffusion: G54A7 David van der Spoel
[gmx-users] SWM4-NDP WATER MODEL AND IONS David van der Spoel
[gmx-users] COMPASS force field revisited Bond Dihedral and Angle Dihedral cross terms David van der Spoel
[gmx-users] COMPASS force field revisited Bond Dihedral and Angle Dihedral cross terms David van der Spoel
[gmx-users] Application of external forces during MD run James Starlight
[gmx-users] Force Field for Vacuum simulation James Starlight
[gmx-users] Charge distribution in the topology file James Starlight
[gmx-users] Force Field for Vacuum simulation James Starlight
[gmx-users] Force Field for Vacuum simulation James Starlight
[gmx-users] Force Field for Vacuum simulation James Starlight
[gmx-users] Npt equilibration of the membrane-mimicking CCl4 layer James Starlight
[gmx-users] Steered MD simulation James Starlight
[gmx-users] Extract Gro coordinate from trr trajectory James Starlight
[gmx-users] Npt equilibration of the membrane-mimicking CCl4 layer James Starlight
[gmx-users] Npt equilibration of the membrane-mimicking CCl4 layer James Starlight
[gmx-users] Npt equilibration of the membrane-mimicking CCl4 layer James Starlight
[gmx-users] Npt equilibration of the membrane-mimicking CCl4 layer James Starlight
[gmx-users] Npt equilibration of the membrane-mimicking CCl4 layer James Starlight
[gmx-users] Npt equilibration of the membrane-mimicking CCl4 layer James Starlight
[gmx-users] Npt equilibration of the membrane-mimicking CCl4 layer James Starlight
[gmx-users] Npt equilibration of the membrane-mimicking CCl4 layer James Starlight
Fwd: [gmx-users] Npt equilibration of the membrane-mimicking CCl4 layer James Starlight
[gmx-users] Placing ions in the specified positions James Starlight
Fwd: [gmx-users] Npt equilibration of the membrane-mimicking CCl4 layer James Starlight
Fwd: [gmx-users] Npt equilibration of the membrane-mimicking CCl4 layer James Starlight
Fwd: [gmx-users] Npt equilibration of the membrane-mimicking CCl4 layer James Starlight
Fwd: [gmx-users] Npt equilibration of the membrane-mimicking CCl4 layer James Starlight
[gmx-users] Re: Placing ions in the specified positions James Starlight
[gmx-users] Protonation state of the ionisable residues James Starlight
[gmx-users] Protonation state of the ionisable residues James Starlight
[gmx-users] Internal water in the membrane receptor James Starlight
[gmx-users] Re: Internal water in the membrane receptor James Starlight
[gmx-users] Re: Internal water in the membrane receptor James Starlight
[gmx-users] Re: Internal water in the membrane receptor James Starlight
[gmx-users] Re: Internal water in the membrane receptor James Starlight
[gmx-users] Re: Internal water in the membrane receptor James Starlight
[gmx-users] Re: Internal water in the membrane receptor James Starlight
[gmx-users] ACE - NME caps Vasileios Tatsis
[gmx-users] topolbuild and charges Tom
[gmx-users] improper dihedral angle in charmm and opls aa Tom
[gmx-users] Re: improper dihedral angle in charmm and opls aa (Mark Abraham) Tom
[gmx-users] charmm27 in gromacs Tom
[gmx-users] Re: charmm27 in gromacs Tom
[gmx-users] problem with make_ndx Anushree Tripathi
[gmx-users] problem with make_ndx Anushree Tripathi
[gmx-users] problem with make_ndx Anushree Tripathi
[gmx-users] problem with make_ndx Anushree Tripathi
[gmx-users] problem with make_ndx Anushree Tripathi
[gmx-users] problem with nvt equilibration Anushree Tripathi
[gmx-users] problem with nvt equilibration Anushree Tripathi
[gmx-users] problem with nvt equilibration Anushree Tripathi
[gmx-users] problem with topology generation of ligand Anushree Tripathi
[gmx-users] problem with NVT equilibration Anushree Tripathi
[gmx-users] problem with index file Anushree Tripathi
[gmx-users] Protein transition from active to passive state Rafał Urniaż
[gmx-users] rotational autocorrelation function Vijayaraj
[gmx-users] trjconv select group Francesca Vitalini
[gmx-users] Distance Restraints on Protein - possible at all? NG HUI WEN
[gmx-users] Distance Restraints on Protein - possible at all? NG HUI WEN
[gmx-users] Domain decomposition problems Olivia Waring
[gmx-users] g_rdf Dallas Warren
[gmx-users] g_rdf and lipid bilayer hydration Dallas Warren
[gmx-users] Triple bond Dallas Warren
[gmx-users] air-water interface Dallas Warren
[gmx-users] interface Dallas Warren
[gmx-users] analysis pdb file Dallas Warren
[gmx-users] quick question about restart Dallas Warren
[gmx-users] chains blowing away during minimization Tsjerk Wassenaar
[gmx-users] trjconv select group Tsjerk Wassenaar
[gmx-users] Problem with simulation of Protein-DNA complex Tsjerk Wassenaar
[gmx-users] how to get the block averaged MSD curve ? Tsjerk Wassenaar
[gmx-users] how to create a proper box size for a membrane? Tsjerk Wassenaar
[gmx-users] reverse transformation Tsjerk Wassenaar
[gmx-users] problems with martinize.py Tsjerk Wassenaar
[gmx-users] problems with martinize.py Tsjerk Wassenaar
[gmx-users] problems with martinize.py Tsjerk Wassenaar
[gmx-users] problems with martinize.py Tsjerk Wassenaar
[gmx-users] problems with martinize.py Tsjerk Wassenaar
[gmx-users] Correcting PBC effects Tsjerk Wassenaar
[gmx-users] how to add potassium Weingarth, M.H.
[gmx-users] how to add potassium Weingarth, M.H.
[gmx-users] LJ parameter : geometric / arithmetic average Markus Weingarth
[gmx-users] g_dist lifetime option Markus Weingarth
[gmx-users] Pulling multiple groups Wright, Louise
[gmx-users] Pulling multiple groups Wright, Louise
[gmx-users] co-solvent simulation Yao Yao
[gmx-users] co-solvent simulation Yao Yao
[gmx-users] co-solvent simulation Yao Yao
[gmx-users] co-solvent simulation Yao Yao
[gmx-users] co-solvent simulation Yao Yao
[gmx-users] water channel Yao Yao
[gmx-users] Water Shell Density Yao Yao
[gmx-users] Water Shell Density Yao Yao
[gmx-users] About the removal of the center of mass Yang Ye
[gmx-users] Domain decomposition in FEP Alexey Zeifman
[gmx-users] how does gromacs handle the force on the virtual site of the TIP4P model GZ Zhang
[gmx-users] bug for TIP4P water in GROMACS ? GZ Zhang
[gmx-users] Adding new residues and pdb2gmx Jernej Zidar
[gmx-users] Using CHARMM force fields in Gromacs, pt. 2 Jernej Zidar
[gmx-users] Re: Using CHARMM force fields in Gromacs, pt. 2 Jernej Zidar
[gmx-users] [solved] Using CHARMM force fields in Gromacs, pt. 2 Jernej Zidar
[gmx-users] How to read AMBER's mdcrd files with GROMACS? a a
[gmx-users] How to calculate Cosine content of a trajectory? a a
[gmx-users] problem in mdrun kumud agarwal
[gmx-users] g_rdf mohammad agha
[gmx-users] g_rdf mohammad agha
[gmx-users] beads in martini mohammad agha
[gmx-users] air-water interface mohammad agha
[gmx-users] interface mohammad agha
[gmx-users] interface mohammad agha
[gmx-users] interface mohammad agha
[gmx-users] interface mohammad agha
[gmx-users] Shift functions aldi asmadi
[gmx-users] How to use "tabulate" to add new potential function smith bill
[gmx-users] tabulate potential smith bill
[gmx-users] All-bonds vs h-bonds contraints gpat at bioacademy.gr
[gmx-users] change simulation temperature bo.shuang
[gmx-users] Re: gmx-users Digest, Vol 94, Issue 185 bo.shuang
[gmx-users] How to assign charge group codes to atoms of new residue -Regd ramesh cheerla
[gmx-users] How to use Buckingham potentials ? ramesh cheerla
[gmx-users] modifications required for the ffnonbonded.itp while adding a new residue ramesh cheerla
[gmx-users] Adding new residue to the the force field ramesh cheerla
[gmx-users] Options to be specified for the buckingham potential ramesh cheerla
[gmx-users] Options for the buckingham potential ramesh cheerla
[gmx-users] Adding new residue to the the force field ramesh cheerla
[gmx-users] Options for the buckingham potential ramesh cheerla
[gmx-users] Adding new residue to the the force field ramesh cheerla
[gmx-users] Fwd: how to add close proteins rama david
[gmx-users] about protein in periodic boundary condition.. rama david
[gmx-users] about periodicity removal rama david
[gmx-users] about periodicity removal.... rama david
[gmx-users] Implicit solvent - Gromacs 4.5.4 vedat durmaz
[gmx-users] g_dist dina dusti
[gmx-users] g_dist dina dusti
[gmx-users] g_dist dina dusti
[gmx-users] g_dist dina dusti
[gmx-users] g_dist dina dusti
[gmx-users] g_dist dina dusti
[gmx-users] g_dist dina dusti
[gmx-users] g_dist dina dusti
[gmx-users] g_dist dina dusti
[gmx-users] g_dist dina dusti
[gmx-users] error estimate dina dusti
[gmx-users] g_analyze -ee dina dusti
[gmx-users] g_analyze -ee dina dusti
[gmx-users] g_analyze -ee dina dusti
[gmx-users] g_analyze -ee dina dusti
[gmx-users] error dina dusti
[gmx-users] error dina dusti
[gmx-users] error dina dusti
[gmx-users] Problem with simulation of Protein-DNA complex rarora at ens-cachan.fr
[gmx-users] Problem with simulation of Protein-DNA complex rarora at ens-cachan.fr
[gmx-users] Problem with simulation of Protein-DNA complex rarora at ens-cachan.fr
[gmx-users] RE: add new residue in OPLS-aa ff nana gomez
[gmx-users] add new residue in OPLS-aa ff nana gomez
[gmx-users] add ion SCN - in OPLS-aa ff nana gomez
[gmx-users] About the removal of the center of mass xiaojing gong
[gmx-users] About the removal of the center of mass xiaojing gong
[gmx-users] Re: REMD tutorial bharat gupta
[gmx-users] umbrella-histogram-windows parto haghighi
[gmx-users] gibbs+umbrella+constraint parto haghighi
[gmx-users] pdo making parto haghighi
[gmx-users] Interchain Disulfide Bond jneeraj
[gmx-users] Interchain Disulfide Bond jneeraj
[gmx-users] Re: Interchain Disulfide Bond jneeraj
[gmx-users] adding base pairs to dna pdb file leila karami
[gmx-users] li lin wants to share a link | Gromacs rossen at kth.se
[gmx-users] the DNA md simulation rajendra kumar
[gmx-users] lipid tutorial problem prashant kurkute
[gmx-users] Molecular Dynamics basics... prashant kurkute
[gmx-users] Re: gmx-users Digest, Vol 94, Issue 119 prashant kurkute
[gmx-users] segmantation default mehmet kıytak
[gmx-users] segmantation default mehmet kıytak
[gmx-users] segmantation default mehmet kıytak
[gmx-users] Minimization Problems lina
[gmx-users] reg. error lina
[gmx-users] trjconv select group lina
[gmx-users] trjconv select group lina
[gmx-users] Problem with simulation of Protein-DNA complex lina
[gmx-users] how to get the block averaged MSD curve ? lina
[gmx-users] Error energy minimization on protein with implicit water lina
[gmx-users] how to extract the x y z lina
[gmx-users] Implicit solvent - Gromacs 4.5.4 lina
[gmx-users] PBC - Protein and Ligands lina
[gmx-users] Using shell script to analyze the results shahid nayeem
[gmx-users] Number of windows in umbrella sampling shahid nayeem
[gmx-users] Number of windows in umbrella sampling shahid nayeem
[gmx-users] Umbrella_pulling_simulation shahid nayeem
[gmx-users] Umbrella_pull_simulation shahid nayeem
[gmx-users] Umbrella_pull_simulation shahid nayeem
[gmx-users] Umbrella_pull_simulation shahid nayeem
[gmx-users] Umbrella_pull_simulation shahid nayeem
[gmx-users] Umbrella_pull_simulation shahid nayeem
[gmx-users] Umbrella_pull_simulation shahid nayeem
[gmx-users] Umbrella_pull_simulation shahid nayeem
[gmx-users] Umbrella_pull_simulation shahid nayeem
[gmx-users] list nefuwl
[gmx-users] Using groups in the mdp file francesco oteri
[gmx-users] g_analyze doubt aiswarya pawar
[gmx-users] g_analyze doubt aiswarya pawar
[gmx-users] g_analyze doubt aiswarya pawar
[gmx-users] Error energy minimization on protein with implicit water aiswarya pawar
[gmx-users] Error energy minimization on protein with implicit water aiswarya pawar
[gmx-users] Error energy minimization on protein with implicit water aiswarya pawar
[gmx-users] using more processors for g_mindist aiswarya pawar
[gmx-users] using more processors for g_mindist aiswarya pawar
[gmx-users] using more processors for g_mindist aiswarya pawar
[gmx-users] using more processors for g_mindist aiswarya pawar
[gmx-users]mdrun using old version nicolas prudhomme
[gmx-users] Installing GMX-GPU 4.5.5 calculating SASA lloyd riggs
[gmx-users] RE:dhdl calculations lloyd riggs
[gmx-users] Domain decomposition in FEP lloyd riggs
[gmx-users] pull-code lloyd riggs
[gmx-users] Lennard-Jones Parameters in ffnonbonded.itp lloyd riggs
[gmx-users] nstallations problem in open suse venkatesh s
[gmx-users] gromacs: pdb2gmx error venkatesh s
[gmx-users] gromacs: pdb2gmx error venkatesh s
[gmx-users] LINCS warning and segmentation fault for methane in 1-octanol simulation vivek sharma
[gmx-users] LINCS warning and segmentation fault for methane in 1-octanol simulation vivek sharma
[gmx-users] question about getting the same potential linbingbing0214 at sina.com
[gmx-users] Regarding DispCorr bipin singh
[gmx-users] Regarding DispCorr bipin singh
[gmx-users] Regarding DispCorr bipin singh
[gmx-users] installation problem of gromacs 4.0.7 on Rocks cluster Parul tew
[gmx-users] extending a simulation after it get stopped because of queue time limit priya thiyagarajan
[gmx-users] Re: gmx-users Digest, Vol 94, Issue 159 priya thiyagarajan
[gmx-users] Re: gmx-users Digest, Vol 94, Issue 159 priya thiyagarajan
[gmx-users] mdrun extension and concatenation priya thiyagarajan
[gmx-users] md step- structure fragmentation priya thiyagarajan
[gmx-users] md step fragmentation priya thiyagarajan
[Fwd: Re: [gmx-users] problems with KALP-15 IN DPPC tutorial] scaprari at uniroma3.it
[gmx-users] reverse transformation on Gromacs 3.3.1 francesca vitalini
[gmx-users] trjconv select group francesca vitalini
[gmx-users] trjconv select group francesca vitalini
[gmx-users] trjconv select group francesca vitalini
[gmx-users] harmonic distance restraints francesca vitalini
[gmx-users] Energy minimization Error francesca vitalini
[gmx-users] Energy minimization Error francesca vitalini
[gmx-users] Energy minimization Error francesca vitalini
[gmx-users] Energy minimization Error francesca vitalini
[gmx-users] Energy minimization Error francesca vitalini
[gmx-users] Energy minimization Error francesca vitalini
[gmx-users] problems with pdb2gmx gromacs 3.3.1 version francesca vitalini
[gmx-users] problems with pdb2gmx gromacs 3.3.1 version francesca vitalini
[gmx-users] reverse transformation francesca vitalini
[gmx-users] problems with pdb2gmx gromacs 3.3.1 version francesca vitalini
[gmx-users] problems with pdb2gmx gromacs 3.3.1 version francesca vitalini
[gmx-users] NME not found in rtp francesca vitalini
[gmx-users] getting dssp executable francesca vitalini
[gmx-users] getting dssp executable francesca vitalini
[gmx-users] getting dssp executable francesca vitalini
[gmx-users] getting dssp executable francesca vitalini
[gmx-users] problems with martinize.py francesca vitalini
[gmx-users] problems with martinize.py francesca vitalini
[gmx-users] problems with martinize.py francesca vitalini
[gmx-users] problems with martinize.py francesca vitalini
[gmx-users] problems with martinize.py francesca vitalini
[gmx-users] problems with martinize.py francesca vitalini
[gmx-users] problems with martinize.py francesca vitalini
[gmx-users] mdrun on GROMACS 3.3.1 francesca vitalini
[gmx-users] Calculate Dihedrals francesca vitalini
[gmx-users] dihedral francesca vitalini
[gmx-users] using g_angle francesca vitalini
[gmx-users] using g_angle francesca vitalini
[gmx-users] using g_angle francesca vitalini
[gmx-users] using g_angle francesca vitalini
[gmx-users] charmm-gui and gromacs xiaojiong
[gmx-users] GROMOS96 53a6 and PRODRG topologies xiaojiong
[gmx-users] the ligang topology xiaojiong
[gmx-users] running energy minimization error xiaojiong
[gmx-users] The promblem of force field xiaojiong
[gmx-users] Residue 'HO4' not found in residue topology database shilpa yadahalli
[gmx-users] hi there gromacs shahbiochemist at yahoo.com
[gmx-users] pdo files in umbrella sampling abbas yousefpour
[gmx-users] overheating problem ahmet yıldırım
[gmx-users] overheating problem ahmet yıldırım
[gmx-users] overheating problem ahmet yıldırım
[gmx-users] overheating problem ahmet yıldırım
[gmx-users] rerun problem ahmet yıldırım
[gmx-users] how to set up pressure in gmx? zhongjin
[gmx-users] tau-p value zhongjin
[gmx-users] Installing GMX-GPU 4.5.5 Андрей Гончар
[gmx-users] Need help troubleshooting an mdrun-gpu error message! Андрей Гончар
[gmx-users] amber-lipid Алексей Раевский
[gmx-users] Using tpbconv_d -zeroq יוכבד
[gmx-users] tpbconv - segmantation fault יוכבד

Last message date: Wed Feb 29 22:45:56 CET 2012
Archived on: Thu Nov 14 12:12:23 CET 2013

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