January 2012 Archives by author

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Starting: Sun Jan 1 01:36:53 CET 2012
Ending: Tue Jan 31 23:42:36 CET 2012
Messages: 831

[gmx-users] Nematic Order Parameter of Organic Liquid Crystals Serene CHEN Weiyan (IMRE)
[gmx-users] pdb2gmx changes conformation? 192.168.100.1
[gmx-users] After installation help Mark Abraham
[gmx-users] detective work before or after creating a topology? Mark Abraham
[gmx-users] Segmentation fault Mark Abraham
[gmx-users] Fw: The results of your email commands Mark Abraham
[gmx-users] Reg: Langevine Thermostat Mark Abraham
[gmx-users] Help with Principal component analysis Mark Abraham
[gmx-users] make error "Makefile:347: recipe for target `all-recursive' failed" for Gromacs-4.5.5 Mark Abraham
[gmx-users] CHARMM27 Force field Mark Abraham
[gmx-users] pdb files using hex resid Mark Abraham
[gmx-users] Re: Folding rate Mark Abraham
[gmx-users] pdb files using hex resid Mark Abraham
[gmx-users] pdb files using hex resid Mark Abraham
[gmx-users] pdb files using hex resid Mark Abraham
[gmx-users] forcefield.itp file for gromos45a3 and oplsaa Mark Abraham
[gmx-users] Help with non-standard residues and molecular structures Mark Abraham
[gmx-users] Error in atom type Mark Abraham
[gmx-users] how to plot g_msd in one direction? Mark Abraham
[gmx-users] Re: problem of installing gromacs4.5.4 Mark Abraham
[gmx-users] strange problem with performance information Mark Abraham
[gmx-users] make error "Makefile:347: recipe for target `all-recursive' failed" for Gromacs-4.5.5 Mark Abraham
[gmx-users] GROMACS mpispawn error Mark Abraham
[gmx-users] problem with gromacs Mark Abraham
[gmx-users] free energy (coordinates file) Mark Abraham
[gmx-users] regarding nvt Mark Abraham
[gmx-users] Superimposing dissimilar structures Mark Abraham
[gmx-users] Hello Mark Abraham
[gmx-users] Hello Mark Abraham
[gmx-users] Regarding AIB RESIDUE NOT FOUND IN RESIDUE TOPOLOGY DATABASE Mark Abraham
[gmx-users] RMSD value Mark Abraham
[gmx-users] certain number of solvent molecules with genbox WITHOUT "ci"/"nmol" options Mark Abraham
[gmx-users] protein-protein simulation Mark Abraham
[gmx-users] certain number of solvent molecules with genbox WITHOUT "ci"/"nmol" options Mark Abraham
[gmx-users] maxh not causing termination Mark Abraham
[gmx-users] q question related to gromacsinstallation by cygwin Mark Abraham
[gmx-users] multi file input for index files Mark Abraham
[gmx-users] q question related to gromacsinstallation by cygwin Mark Abraham
[gmx-users] dynamic libraries and static libraries Mark Abraham
[gmx-users] multi file input for index files Mark Abraham
[gmx-users] Hello Mark Abraham
[gmx-users] Energy Minimization Mark Abraham
[gmx-users] Energy Minimization Mark Abraham
[gmx-users] Hello Mark Abraham
[gmx-users] Energy Minimization Mark Abraham
[gmx-users] Mixture of H2O and D2O Mark Abraham
[gmx-users] problem with gromacs Mark Abraham
[gmx-users] About g_msd. I want to plot the curve from 0.01ps. Mark Abraham
[gmx-users] Regarding NVT & NPT ensemble Mark Abraham
[gmx-users] Coupling groups - Thermostat Mark Abraham
[gmx-users] Coupling groups - Thermostat Mark Abraham
[gmx-users] Coupling groups - Thermostat Mark Abraham
[gmx-users] failure message in GROMACS installation Mark Abraham
[gmx-users] Hello Mark Abraham
[gmx-users] Problem in Disulfide Bond between different chain! Mark Abraham
[gmx-users] (no subject) Mark Abraham
[gmx-users] Number/name of the last frame in a trajectory Mark Abraham
[gmx-users] platform dependent fate of a md simulation Mark Abraham
[gmx-users] System blows up Mark Abraham
[gmx-users] Problem with FE-Cys covalent bond Mark Abraham
[gmx-users] platform dependent fate of a md simulation Mark Abraham
[gmx-users] REMD error Mark Abraham
[gmx-users] REMD error Mark Abraham
[gmx-users] REMD error Mark Abraham
[gmx-users] (no subject) Mark Abraham
[gmx-users] regarding rmsd plot obtained for less time Mark Abraham
[gmx-users] Protein angles / single point calculations Mark Abraham
[gmx-users] PRODRG charges Mark Abraham
[gmx-users] constrained mdrun about linear rigid molecule ?? Mark Abraham
[gmx-users] difference in Coulomb SR and Coulomb 14? Mark Abraham
[gmx-users] Graphene - force field Mark Abraham
[gmx-users] Failed to lock: md.log. No locks available. Mark Abraham
[gmx-users] genbox Mark Abraham
[gmx-users] pdb2gmx -ss option Mark Abraham
[gmx-users] Is there a way to omit particles with q=0 from Coulomb-/PME-calculations? Mark Abraham
[gmx-users] Re: Is there a way to omit particles with q=0, from Coulomb-/PME-calculations? Mark Abraham
[gmx-users] Question about "nsttcouple" Mark Abraham
[gmx-users] micelle formation Mark Abraham
[gmx-users] Regarding trajectory file Mark Abraham
[gmx-users] Error in installation Mark Abraham
[gmx-users] option -r2 on g_hbond, a third HB citerion? Mark Abraham
[gmx-users] mdrun-gpu error Mark Abraham
[gmx-users] Chromophore residue patch in gromacs Mark Abraham
[gmx-users] getting rid of PBC, completely Mark Abraham
[gmx-users] mdrun-gpu error Mark Abraham
[gmx-users] getting rid of PBC, completely Mark Abraham
[gmx-users] sudden jumps in RMSD etc. Mark Abraham
[gmx-users] Lincs warnings Mark Abraham
[gmx-users] Regarding ngmx with double precision Mark Abraham
[gmx-users] How to balance charge for modeling N2 molecules Mark Abraham
[gmx-users] Model N2 molecules Mark Abraham
[gmx-users] Model N2 molecules Mark Abraham
[gmx-users] Implicit solvent model in Gromacs Mark Abraham
[gmx-users] problem in creating forcefield.doc Mark Abraham
[gmx-users] Regarding Extracting Coordinates of Solvent in FCS alone Mark Abraham
[gmx-users] FEP for ligand mutation Mark Abraham
[gmx-users] unfold the coordinates Mark Abraham
[gmx-users] problem in creating forcefield.doc Mark Abraham
[gmx-users] Gromacs and CHARMM silicate force field Mark Abraham
[gmx-users] Partial charges of new RES in Charmm Mark Abraham
[gmx-users] a problem with grompp Mark Abraham
[gmx-users] regarding box dimension and number of solvent molecules Mark Abraham
[gmx-users] PSF file in martini force field Mark Abraham
[gmx-users] force field Mark Abraham
[gmx-users] PSF file in martini force field Mark Abraham
[gmx-users] regarding boxtype and numer of solvent molecules.. Mark Abraham
[gmx-users] Monte Carlo with Gromacs and implicit solvent Mark Abraham
[gmx-users] Monte Carlo with Gromacs and implicit solvent Mark Abraham
[gmx-users] a query Mark Abraham
[gmx-users] a query Mark Abraham
[gmx-users] problem in generation of tpr file Mark Abraham
[gmx-users] Query regarding energy minimization for packing the lipids around the protein Mark Abraham
[gmx-users] topology missing Mark Abraham
[gmx-users] a question in energy minimization step Mark Abraham
[gmx-users] Installing & uninstalling of gromacs Mark Abraham
[gmx-users] Exchange interval in REMD Mark Abraham
[gmx-users] System Exploding Mark Abraham
[gmx-users] The conversion from gromacs to amber Mark Abraham
[gmx-users] regarding number of molecules effect Mark Abraham
[gmx-users] non-bonded interactions energies Mark Abraham
[gmx-users] Wildcards and dihedral type 9 Mark Abraham
[gmx-users] Wildcards and dihedral type 9 Mark Abraham
[gmx-users] A query Mark Abraham
[gmx-users] MMPBSA Mark Abraham
[gmx-users] box changes its shape ! Mark Abraham
[gmx-users] simulation killed Mark Abraham
[gmx-users] How to calculate hydration of lipid headgroups by minimum distance means Mark Abraham
[gmx-users] Trajectory Mark Abraham
[gmx-users] simulation killed Mark Abraham
[gmx-users] Trajectory Mark Abraham
[gmx-users] Dihedral potential with chirality Mark Abraham
[gmx-users] Dihedral potential with chirality Mark Abraham
[gmx-users] Residual Fraction with respect to coordinate Mark Abraham
[gmx-users] Assigning protonation states using Amber ff Mark Abraham
[gmx-users] problem with energy minimization Mark Abraham
[gmx-users] problem with volume equilibration Mark Abraham
[gmx-users] problem with volume equilibration Mark Abraham
[gmx-users] problem with energy minimization Mark Abraham
[gmx-users] problem with making index.ndx Mark Abraham
[gmx-users] Restraints for specific residues Mark Abraham
[gmx-users] Restraints for specific residues Mark Abraham
[gmx-users] A query Mark Abraham
[gmx-users] Mixture of H2O and D2O Hernan Ahumada
[gmx-users] Infrared Hernan Ahumada
[gmx-users] Obtain the flux of water Saeid Akbarshahi
[gmx-users] Can I fix atoms and apply load to another atoms? Talal E. AlOtaibi
[gmx-users] Problem with Position Restraints (before running SMD)! Talal E. AlOtaibi
[gmx-users] problem with checking performance Albert
[gmx-users] strange problem with performance information Albert
[gmx-users] another question about performance Albert
[gmx-users] nodes error Albert
[gmx-users] NPT error Albert
[gmx-users] Re: nodes error Albert
[gmx-users] Re: Re: nodes error Albert
[gmx-users] NPT error Albert
[gmx-users] Nodes problem? Albert
[gmx-users] LINCS warnings and number of cpus Marani Alessandro
[gmx-users] LINCS warnings and number of cpus Marani Alessandro
[gmx-users] Re: LINCS warnings and number of cpus Marani Alessandro
[gmx-users] GROMOS 53A6 AND charmm36.ff Magnus Andersson
[gmx-users] Announce: Project - Evolutionary Algorithm with Gromacs, Initial results Alexandre Suman de Araujo
[gmx-users] Cytochrom C Nuno Azoia
[gmx-users] problem in finding gromos53a6.ff Nuno Azoia
[gmx-users] box changes its shape ! Kowsar Bagherzadeh
[gmx-users] problem with volume equilibration Kowsar Bagherzadeh
[gmx-users] problem with making index.ndx Kowsar Bagherzadeh
[gmx-users] Problem with FE-Cys covalent bond Anthony Cruz Balberdi
[gmx-users] Obtain the flux of water Oliver Beckstein
[gmx-users] Problem with trjconv and centering bilayer. Ioannis Beis
[gmx-users] Re: Problem with trjconv and centering bilayer. Ioannis Beis
[gmx-users] How to calculate hydration of lipid headgroups by minimum distance means Ioannis Beis
[gmx-users] Re: gmx-users Digest, Vol 93, Issue 169 Ioannis Beis
[gmx-users] Re: How to calculate hydration of lipid headgroups by minimum distance means Ioannis Beis
[gmx-users] 2D simulation of 1 particle in arbitrary analytical potential Karel Berka
[gmx-users] problem with energy minimization Emanuel Birru
[gmx-users] problem with energy minimization Emanuel Birru
[gmx-users] pdb2gmx pairs clarification Richard Broadbent
[gmx-users] (no subject) Turgay Cakmak
[gmx-users] multiple molecules in a box Turgay Cakmak
[gmx-users] Free Energy of a mutated molecule Fabian Casteblanco
[gmx-users] decoupling a group of a molecule Fabian Casteblanco
[gmx-users] Free Energy tutorial - choosing number of solvent molecules Fabian Casteblanco
[gmx-users] Re: Free Energy tutorial - choosing number of solvent molecules Fabian Casteblanco
[gmx-users] dynamic libraries and static libraries Javier Cerezo
[gmx-users] (no subject) Javier Cerezo
[gmx-users] (no subject) Javier Cerezo
[gmx-users] Re: LINCS warnings and number of cpus Dr. Vitaly V. Chaban
[gmx-users] writing checkpoints Dr. Vitaly V. Chaban
[gmx-users] GROMACS mpispawn error Chelsea
[gmx-users] md simulation working fine in serial and badly in parallel Ester Chiessi
[gmx-users] platform dependent fate of a md simulation Ester Chiessi
[gmx-users] platform dependent fate of a md simulation Ester Chiessi
[gmx-users] problem with access to Gromacs after installation Sylwia Chmielewska
[gmx-users] problem with gromacs Sylwia Chmielewska
[gmx-users] problem with gromacs Sylwia Chmielewska
[gmx-users] problem with gromacs Sylwia Chmielewska
[gmx-users] getting rid of PBC, completely Chandan Choudhury
[gmx-users] getting rid of PBC, completely Chandan Choudhury
[gmx-users] getting rid of PBC, completely Chandan Choudhury
[gmx-users] unfold the coordinates Chandan Choudhury
[gmx-users] Graphene - force field Nilesh Dhumal
[gmx-users] Infrared Dmitri Dubov
[gmx-users] Membrane protein simulation: maintain protein in the box centre Anna Duncan
[gmx-users] Membrane protein simulation: maintain protein in the box centre Anna Duncan
[gmx-users] certain number of solvent molecules with genbox WITHOUT "ci"/"nmol" options Vedat Durmaz
[gmx-users] certain number of solvent molecules with genbox WITHOUT "ci"/"nmol" options Vedat Durmaz
[gmx-users] certain number of solvent molecules with genbox WITHOUT "ci"/"nmol" options Vedat Durmaz
[gmx-users] Pull code problem: Large fluctuations in pull force in Gromacs 4.5.1 compared to 4.0.5 Emma Eriksson
[gmx-users] Protein angles / single point calculations Matthias Ernst
[gmx-users] Protein Structure Prediction Thomas Evangelidis
[gmx-users] Protein Structure Prediction Thomas Evangelidis
[gmx-users] rules of thumb to select a cutoff for clustering Thomas Evangelidis
[gmx-users] Installing GMX-GPU 4.5.5 Efrat Exlrod
[gmx-users] Announce: Project - Evolutionary Algorithm with Gromacs, Initial results Rodrigo Faccioli
[gmx-users] Monte Carlo with Gromacs and implicit solvent Rodrigo Faccioli
[gmx-users] Monte Carlo with Gromacs and implicit solvent Rodrigo Faccioli
[gmx-users] Monte Carlo with Gromacs and implicit solvent Rodrigo Faccioli
[gmx-users] Reg: Langevine Thermostat Rohit Farmer
[gmx-users] Concatenating RMSD plots Rohit Farmer
[gmx-users] Re: gmx-users Digest, Vol 93, Issue 54 Rohit Farmer
[gmx-users] Reg: Number of nodes in REMD Rohit Farmer
[gmx-users] Reg: REMD error Rohit Farmer
[gmx-users] Reg: REMD result Rohit Farmer
[gmx-users] Re: Need help regarding renumtop Anton Feenstra
[gmx-users] After installation help Willian Pereira Felix
[gmx-users] Segmentation fault Saba Ferdous
[gmx-users] difference in Coulomb SR and Coulomb 14? Saba Ferdous
[gmx-users] non-bonded interactions energies Naomi Fox
[gmx-users] non-bonded interactions energies Naomi Fox
[gmx-users] non-bonded interactions energies Naomi Fox
[gmx-users] COMETS 2012 - 3rd IEEE Track on Collaborative Modeling and Simulation - Call for Papers Daniele Gianni
[gmx-users] Chemical Potential Ivan Gladich
[gmx-users] Ligand-ligand Tutorial Hovakim Grabski
[gmx-users] Hypericin interaction with DNA molecule Hovakim Grabski
[gmx-users] Gromacs on GPU Ben Hall
[gmx-users] Gromacs on GPU Benjamin Hall
[gmx-users] Re: Gromacs on GPU Benjamin Hall
[gmx-users] Assigning protonation states using Amber ff Zoe Hall
[gmx-users] Help with non-standard residues and molecular structures Robert Hamers
[gmx-users] Help with non-standard residues and molecular structures Robert Hamers
[gmx-users] Cytochrom C Robert Hamers
[gmx-users] problem with calculating SASA Maryam Hamzehee
[gmx-users] Wildcards and dihedral type 9 Antila Hanne
[gmx-users] Gromacs on GPU Esteban Gabriel Vega Hissi
[gmx-users] Implicit solvent model in Gromacs Gianluca Interlandi
[gmx-users] Gromacs and CHARMM silicate force field Gianluca Interlandi
[gmx-users] Monte Carlo with Gromacs and implicit solvent Gianluca Interlandi
[gmx-users] Monte Carlo with Gromacs and implicit solvent Gianluca Interlandi
[gmx-users] Monte Carlo with Gromacs and implicit solvent Gianluca Interlandi
[gmx-users] Monte Carlo with Gromacs and implicit solvent Gianluca Interlandi
[gmx-users] Exchange interval in REMD Gianluca Interlandi
[gmx-users] Exchange interval in REMD Gianluca Interlandi
[gmx-users] Exchange interval in REMD Gianluca Interlandi
[gmx-users] Monte Carlo with Gromacs and implicit solvent Gianluca Interlandi
[gmx-users] Monte Carlo with Gromacs and implicit solvent Gianluca Interlandi
[gmx-users] Help with Principal component analysis Alex Jemulin
[gmx-users] non-bonded [exclusions] / [ pairs ] for 56A_CARBO implementation Jon Kapla
[gmx-users] isodensity surface Nidhi Katyal
[gmx-users] isodensity surface Nidhi Katyal
[gmx-users] isodensity surface Nidhi Katyal
[gmx-users] make error "Makefile:347: recipe for target `all-recursive' failed" for Gromacs-4.5.5 Rashek Kazi
[gmx-users] make error "Makefile:347: recipe for target `all-recursive' failed" for Gromacs-4.5.5 Rashek Kazi
[gmx-users] how to plot g_msd in one direction? Kiwoong Kim
[gmx-users] how to calculate position displacements ?? Kiwoong Kim
[gmx-users] About g_msd. I want to plot the curve from 0.01ps. Kiwoong Kim
[gmx-users] how to model linear rigid molecules (CO2) Kiwoong Kim
[gmx-users] constrained mdrun about linear rigid molecule ?? Kiwoong Kim
[gmx-users] About g_traj, plotting displacement Kiwoong Kim
[gmx-users] Add counter-ions using virtual atom??? Kiwoong Kim
[gmx-users] How to balance charge for modeling N2 molecules Kiwoong Kim
[gmx-users] Model N2 molecules Kiwoong Kim
[gmx-users] Model N2 molecules Kiwoong Kim
[gmx-users] Model N2 molecules Kiwoong Kim
[gmx-users] Monte Carlo with Gromacs and implicit solvent Kiwoong Kim
[gmx-users] Cytochrom C Krzysztof Kuczera
[gmx-users] Cytochrom C Krzysztof Kuczera
[gmx-users] adding hydrogen Krzysztof Kuczera
[gmx-users] (no subject) Yoshus Kumka
[gmx-users] Is there a way to omit particles with, q=0, from Coulomb-/PME-calculations? Carsten Kutzner
[gmx-users] Superimposing dissimilar structures John Ladasky
[gmx-users] pdb files using hex resid Peter C. Lai
[gmx-users] pdb files using hex resid Peter C. Lai
[gmx-users] pdb files using hex resid Peter C. Lai
[gmx-users] pdb files using hex resid Peter C. Lai
[gmx-users] trjconv keeps asking for tpr Peter C. Lai
[gmx-users] trjconv keeps asking for tpr Peter C. Lai
[gmx-users] pbc visualization advice Peter C. Lai
[gmx-users] Re: Re: nodes error Peter C. Lai
[gmx-users] regarding nvt Peter C. Lai
[gmx-users] Running_crashed_run Peter C. Lai
[gmx-users] problem with access to Gromacs after installation Peter C. Lai
[gmx-users] Membrane protein simulation: maintain protein in the box centre Peter C. Lai
[gmx-users] Cytochrom C Peter C. Lai
[gmx-users] Cytochrom C Peter C. Lai
[gmx-users] Cytochrom C Peter C. Lai
[gmx-users] Cytochrom C Peter C. Lai
[gmx-users] regarding NVT Peter C. Lai
[gmx-users] Chromophore residue patch in gromacs Peter C. Lai
[gmx-users] g_mindist on 51-frame trajectory gives 51 minimum distances but <51 atom pairs Peter C. Lai
[gmx-users] simulation killed Peter C. Lai
[gmx-users] Force Field for Vacuum simulation Peter C. Lai
[gmx-users] Molecular Modelling Workshop 2012 in Erlangen, Germany Harald Lanig
[gmx-users] Question about pull simulation Gideon Lapidoth
[gmx-users] Gromacs on GPU Matthew Lardy
[gmx-users] Gromacs on GPU Matthew Lardy
[gmx-users] Gromacs on GPU Matthew Lardy
[gmx-users] Tabulated potentials Laura Leay
[gmx-users] Re: Hi, May I ask you a question about the free energy calculation tutorial? Justin A. Lemkul
[gmx-users] grompp error for CNT+surfactant simulation Justin A. Lemkul
[gmx-users] free energy and charges Justin A. Lemkul
[gmx-users] copper and His residues Justin A. Lemkul
[gmx-users] problem with checking performance Justin A. Lemkul
[gmx-users] a installation problem of gromacs4.5.4 using mpi Justin A. Lemkul
[gmx-users] dihedral Justin A. Lemkul
[gmx-users] problem Justin A. Lemkul
[gmx-users] Cytochrom C Justin A. Lemkul
[gmx-users] another question about performance Justin A. Lemkul
[gmx-users] Running_crashed_run Justin A. Lemkul
[gmx-users] Re: Re: nodes error Justin A. Lemkul
[gmx-users] regarding NVT equilibration Justin A. Lemkul
[gmx-users] RDF(PMF) and Umbrella sampling Justin A. Lemkul
[gmx-users] Removing Water Molecules Justin A. Lemkul
[gmx-users] Removing Water Molecules Justin A. Lemkul
[gmx-users] RDF(PMF) and Umbrella sampling Justin A. Lemkul
[gmx-users] RDF(PMF) and Umbrella sampling Justin A. Lemkul
[gmx-users] RDF(PMF) and Umbrella sampling Justin A. Lemkul
[gmx-users] Removing Water Molecules Justin A. Lemkul
[gmx-users] RDF(PMF) and Umbrella sampling Justin A. Lemkul
[gmx-users] Nodes problem? Justin A. Lemkul
[gmx-users] regarding NVT Justin A. Lemkul
[gmx-users] analysis tools Justin A. Lemkul
[gmx-users] certain number of solvent molecules with genbox WITHOUT "ci"/"nmol" options Justin A. Lemkul
[gmx-users] Error: Expected a molecule type name and nrexcl Justin A. Lemkul
[gmx-users] rigid carbon nanotube Justin A. Lemkul
[gmx-users] source code 4.5.4- structure factor Justin A. Lemkul
[gmx-users] umbrella sampling tutorial quastion Justin A. Lemkul
[gmx-users]-Snapshots Justin A. Lemkul
[gmx-users] About g_msd. I want to plot the curve from 0.01ps. Justin A. Lemkul
[gmx-users] Regarding NVT & NPT ensemble Justin A. Lemkul
[gmx-users] homodimer simulation Justin A. Lemkul
[gmx-users] Coupling groups - Thermostat Justin A. Lemkul
[gmx-users] Concatenating RMSD plots Justin A. Lemkul
[gmx-users] Concatenating RMSD plots Justin A. Lemkul
[gmx-users] Coupling groups - Thermostat Justin A. Lemkul
[gmx-users] Coupling groups - Thermostat Justin A. Lemkul
[gmx-users] Cytochrom C Justin A. Lemkul
[gmx-users] Cytochrom C Justin A. Lemkul
[gmx-users] HEME topology Justin A. Lemkul
[gmx-users] unscribe Justin A. Lemkul
[gmx-users] About spacing in umbrella sampling Justin A. Lemkul
[gmx-users] Help about g_hbond and angle cutoff Justin A. Lemkul
[gmx-users] Ligand-ligand Tutorial Justin A. Lemkul
[gmx-users] position restrain Justin A. Lemkul
[gmx-users] position restrain Justin A. Lemkul
[gmx-users] How to the define the A and B states for the calculation of free energy Justin A. Lemkul
[gmx-users] How to the define the A and B states for the calculation of free energy Justin A. Lemkul
[gmx-users] About g_traj, plotting displacement Justin A. Lemkul
[gmx-users] table-potential, why table from r=0->r_c+1? Justin A. Lemkul
[gmx-users] About solvation Justin A. Lemkul
[gmx-users] Problem with trjconv and centering bilayer. Justin A. Lemkul
[gmx-users] Add counter-ions using virtual atom??? Justin A. Lemkul
[gmx-users] grompp g96angle types error Justin A. Lemkul
[gmx-users] grompp g96angle types error Justin A. Lemkul
[gmx-users] Cytochrom C Justin A. Lemkul
[gmx-users] Re: Problem with trjconv and centering bilayer. Justin A. Lemkul
[gmx-users] Cytochrom C Justin A. Lemkul
[gmx-users] Abot genbox and editcon Justin A. Lemkul
[gmx-users] Invalid T coupling input: 1 groups, 2 ref_t values and 2 tau_t values Justin A. Lemkul
[gmx-users] GROMOS 53A6 AND charmm36.ff Justin A. Lemkul
AW: [gmx-users] Regarding trajectory file Justin A. Lemkul
[gmx-users] pb2gmx SS bond selection Justin A. Lemkul
[gmx-users] Question about Andersen thermostat Justin A. Lemkul
[gmx-users] Problem with Position Restraints (before running SMD)! Justin A. Lemkul
[gmx-users] Problem with Position Restraints (before running SMD)! Justin A. Lemkul
[gmx-users] How to find Hbonding partner Justin A. Lemkul
[gmx-users] mdrun-gpu error Justin A. Lemkul
[gmx-users] Reg: Number of nodes in REMD Justin A. Lemkul
[gmx-users] Problem with Position Restraints (before running SMD)! Justin A. Lemkul
[gmx-users] query on g_sorient Justin A. Lemkul
[gmx-users] problem in finding gromos53a6.ff Justin A. Lemkul
[gmx-users] Reg: REMD error Justin A. Lemkul
[gmx-users] mdrun-gpu error Justin A. Lemkul
[gmx-users] Reg: REMD result Justin A. Lemkul
[gmx-users] Problem with Position Restraints (before running SMD)! Justin A. Lemkul
[gmx-users] (no subject) Justin A. Lemkul
[gmx-users] problem in generation of tpr file Justin A. Lemkul
[gmx-users] multiple molecules in a box Justin A. Lemkul
[gmx-users] Implicit solvent model in Gromacs Justin A. Lemkul
[gmx-users] Installing & uninstalling of gromacs Justin A. Lemkul
[gmx-users] -fitall option problems Justin A. Lemkul
[gmx-users] getting started with gromacs Justin A. Lemkul
[gmx-users] Installing & uninstalling of gromacs Justin A. Lemkul
[gmx-users] getting started with gromacs Justin A. Lemkul
[gmx-users] getting started with gromacs Justin A. Lemkul
[gmx-users] getting started with gromacs Justin A. Lemkul
[gmx-users] protein in solution Justin A. Lemkul
[gmx-users] Query regarding energy minimization for packing the lipids around the protein Justin A. Lemkul
[gmx-users] gromacs installtion error Justin A. Lemkul
[gmx-users] System Exploding Justin A. Lemkul
[gmx-users] getting started with gromacs Justin A. Lemkul
[gmx-users] Job crashed Justin A. Lemkul
[gmx-users] Free Energy tutorial - choosing number of solvent molecules Justin A. Lemkul
[gmx-users] NAMD file (.inp) convert to GROMACS format Justin A. Lemkul
[gmx-users] Re: Free Energy tutorial - choosing number of solvent molecules Justin A. Lemkul
[gmx-users] NAMD file (.inp) convert to GROMACS format Justin A. Lemkul
[gmx-users] Gromacs on GPU Justin A. Lemkul
[gmx-users] non-bonded interactions energies Justin A. Lemkul
[gmx-users] non-bonded interactions energies Justin A. Lemkul
[gmx-users] the difference between fixing and freezing and position restraint Justin A. Lemkul
[gmx-users] umbrella-drug Justin A. Lemkul
[gmx-users] free energy tutorial 6 Justin A. Lemkul
[gmx-users] Gromacs on GPU Justin A. Lemkul
[gmx-users] Free energy tutorial 6 Justin A. Lemkul
[gmx-users] umbrella-drug Justin A. Lemkul
[gmx-users] Re: Gromacs on GPU Justin A. Lemkul
[gmx-users] Force Field for Vacuum simulation Justin A. Lemkul
[gmx-users] Force Field for Vacuum simulation Justin A. Lemkul
[gmx-users] problem with calculating SASA Justin A. Lemkul
[gmx-users] isodensity surface Justin A. Lemkul
[gmx-users] simulation killed Justin A. Lemkul
[gmx-users] simulation killed Justin A. Lemkul
[gmx-users] Trajectory Justin A. Lemkul
[gmx-users] problems with KALP-15 IN DPPC tutorial Justin A. Lemkul
[gmx-users] Trajectory Justin A. Lemkul
[gmx-users] questions on distance restraints Justin A. Lemkul
[gmx-users] Question about pull simulation Justin A. Lemkul
[gmx-users] Hypericin interaction with DNA molecule Justin A. Lemkul
[gmx-users] problem with making index.ndx Justin A. Lemkul
[gmx-users] mdrun on GROMACS 3.3.1 Justin A. Lemkul
[gmx-users] problem with calculating SASA Justin A. Lemkul
[gmx-users] umbrella curve Justin A. Lemkul
[gmx-users] mdrun on GROMACS 3.3.1 Justin A. Lemkul
[gmx-users] mdrun on GROMACS 3.3.1 Justin A. Lemkul
[gmx-users] protein-protein simulation Guido Leoni
[gmx-users] System blows up Guido Leoni
[gmx-users] System blows up Guido Leoni
[gmx-users] PSF file in martini force field Li, Hualin
[gmx-users] PSF file in martini force field Li, Hualin
[gmx-users] PSF file in martini force field Li, Hualin
[gmx-users] Failed to lock: md.log. No locks available. Jianguo Li
[gmx-users] The conversion from gromacs to amber Tanping Li
[gmx-users] develop parameters for small molecules Qinghua Liao
[gmx-users] homodimer simulation Kavyashree M
[gmx-users] combining umbrella sampling with replica exchange Sanku M
[gmx-users] query on 1-4 interaction Sanku M
[gmx-users] average force on solute Sanku M
[gmx-users] How to find Hbonding partner Sanku M
[gmx-users] query on g_sorient Sanku M
[gmx-users] FEP for ligand mutation Sanku M
[gmx-users] isodensity surface Sanku M
[gmx-users] can mdrun append output files without the proper .cpt? Alex Marshall
[gmx-users] multi file input for index files Marzinek, Jan
[gmx-users] a problem with grompp Banafsheh Mehrazma
[gmx-users] a question in energy minimization step Banafsheh Mehrazma
[gmx-users] the difference between fixing and freezing and position restraint Banafsheh Mehrazma
[gmx-users] RDF(PMF) and Umbrella sampling Gavin Melaugh
[gmx-users] RDF(PMF) and Umbrella sampling Gavin Melaugh
[gmx-users] RDF(PMF) and Umbrella sampling Gavin Melaugh
[gmx-users] RDF(PMF) and Umbrella sampling Gavin Melaugh
[gmx-users] RDF(PMF) and Umbrella sampling Gavin Melaugh
[gmx-users] RDF(PMF) and Umbrella sampling Gavin Melaugh
[gmx-users] RDF(PMF) and Umbrella sampling Gavin Melaugh
[gmx-users] Cytochrom C Dariush Mohammadyani
[gmx-users] Cytochrom C Dariush Mohammadyani
[gmx-users] RDF(PMF) and Umbrella sampling Dariush Mohammadyani
[gmx-users] Cytochrom C Dariush Mohammadyani
[gmx-users] Cytochrom C Dariush Mohammadyani
[gmx-users] umbrella sampling tutorial quastion Dariush Mohammadyani
[gmx-users] Cytochrom C Dariush Mohammadyani
[gmx-users] Cytochrom C Dariush Mohammadyani
[gmx-users] Coarse Grained Cytochrom C Dariush Mohammadyani
[gmx-users] Cytochrom C Dariush Mohammadyani
[gmx-users] Cytochrom C Dariush Mohammadyani
[gmx-users] NAMD file (.inp) convert to GROMACS format Dariush Mohammadyani
[gmx-users] NAMD file (.inp) convert to GROMACS format Dariush Mohammadyani
[gmx-users] NAMD file (.inp) convert to GROMACS format Dariush Mohammadyani
[gmx-users] Problem Compiling grogui with plotting. Stephen P. Molnar
[gmx-users] analysis tools Juliette N.
[gmx-users] structure factor Juliette N.
[gmx-users] source code 4.5.4- structure factor Juliette N.
[gmx-users] enthalpy of mixing Juliette N.
[gmx-users] Problem with FE-Cys covalent bond Suman Nandy
Re: [gmx-users] Problem in Disulfide Bond between different chain! Suman Nandy
[gmx-users] Constructing covalent bond between protein-ligand complex Suman Nandy
[gmx-users] Removing Water Molecules Steven Neumann
[gmx-users] Removing Water Molecules Steven Neumann
[gmx-users] Removing Water Molecules Steven Neumann
[gmx-users] Protein Structure Prediction Steven Neumann
[gmx-users] Protein Structure Prediction Steven Neumann
[gmx-users] Protein Structure Prediction Steven Neumann
[gmx-users] Error: Expected a molecule type name and nrexcl Steven Neumann
[gmx-users] Energy Minimization Steven Neumann
[gmx-users] Energy Minimization Steven Neumann
[gmx-users] Energy Minimization Steven Neumann
[gmx-users] Coupling groups - Thermostat Steven Neumann
[gmx-users] Coupling groups - Thermostat Steven Neumann
[gmx-users] Coupling groups - Thermostat Steven Neumann
[gmx-users] Coupling groups - Thermostat Steven Neumann
[gmx-users] Umbrella Sampling application Steven Neumann
[gmx-users] Chemical potential Steven Neumann
[gmx-users] Chemical Potential Steven Neumann
[gmx-users] Chemical Potential Steven Neumann
[gmx-users] Chemical Potential Steven Neumann
[gmx-users] Residue representation Steven Neumann
[gmx-users] Partial charges of new RES in Charmm Steven Neumann
[gmx-users] Re: Partial charges of new RES in Charmm Steven Neumann
[gmx-users] Job crashed Steven Neumann
[gmx-users] Trajectory Steven Neumann
[gmx-users] Trajectory Steven Neumann
[gmx-users] Trajectory Steven Neumann
[gmx-users] Residual Fraction with respect to coordinate Steven Neumann
[gmx-users] dihedral Francesco Oteri
[gmx-users] compile template.c Park, Jae Hyun nmn
[gmx-users] diffusion coeffecient/constant Ramya Parthasarathi
[gmx-users] Coarse Grained Cytochrom C XAvier Periole
Antw: [gmx-users] Protein Structure Prediction Emanuel Peter
Antw: [gmx-users] Coarse-graining and cut-offs Emanuel Peter
[gmx-users] forcefield.itp file for gromos45a3 and oplsaa Thomas Piggot
[gmx-users] Monte Carlo with Gromacs and implicit solvent Pool, R.
[gmx-users] Monte Carlo with Gromacs and implicit solvent Pool, R.
[gmx-users] Monte Carlo with Gromacs and implicit solvent Pool, R.
[gmx-users] Chemical Potential René Pool
[gmx-users] Monte Carlo with Gromacs and implicit solvent René Pool
[gmx-users] Monte Carlo with Gromacs and implicit solvent René Pool
[gmx-users] Lincs warnings Ben Porebski
[gmx-users] Hello Nirmal Prasad
[gmx-users] Hello Nirmal Prasad
[gmx-users] Hello Nirmal Prasad
[gmx-users] Hello Nirmal Prasad
[gmx-users] Hello Nirmal Prasad
[gmx-users] HEME topology Nirmal Prasad
[gmx-users] Hello Nirmal Prasad
[gmx-users] q question related to gromacsinstallation by cygwin Dialing Pretty
[gmx-users] dynamic libraries and static libraries Dialing Pretty
[gmx-users] q question related to gromacsinstallation by cygwin Dialing Pretty
[gmx-users] failure message in GROMACS installation Dialing Pretty
[gmx-users] tesla vs gtx Szilárd Páll
[gmx-users] mdrun-gpu error Szilárd Páll
[gmx-users] mdrun-gpu error Szilárd Páll
[gmx-users] mdrun-gpu error Szilárd Páll
[gmx-users] Simulating multiple fragments R.S.K.Vijayan
[gmx-users] query about identifying representative snapshots from a 2D FEL R.S.K.Vijayan
[gmx-users] On HBond definition Mr Bernard Ramos
[gmx-users] On g_hbond Mr Bernard Ramos
[gmx-users] option -r2 on g_hbond, a third HB citerion? Mr Bernard Ramos
[gmx-users] 1-4 Scaling problem of ASN-NAG from GLYCAM Rashmi
[gmx-users]-Snapshots Rausch, Felix
AW: [gmx-users] Regarding trajectory file Rausch, Felix
AW: [gmx-users] problem in creating forcefield.doc Rausch, Felix
[gmx-users] Re: topolbuild1_3:Illegal characters for size information line in mol2 file. Bruce D. Ray
[gmx-users] Re: Thanks for your help! Bruce D. Ray
[gmx-users] maxh not causing termination Ben Reynwar
[gmx-users] maxh not causing termination Ben Reynwar
[gmx-users] optimum acceptance ratio for REMD Ben Reynwar
[gmx-users] tesla vs gtx Andrzej Rzepiela
[gmx-users] Dihedral potential with chirality Li SUN
[gmx-users] Dihedral potential with chirality Li SUN
[gmx-users] Dihedral potential with chirality Li SUN
[gmx-users] RDF(PMF) and Umbrella sampling Thomas Schlesier
[gmx-users] RDF(PMF) and Umbrella sampling Thomas Schlesier
[gmx-users] Coarse-graining and cut-offs Thomas Schlesier
[gmx-users] table-potential, why table from r=0->r_c+1? Thomas Schlesier
[gmx-users] Is there a way to omit particles with q=0 from Coulomb-/PME-calculations? Thomas Schlesier
[gmx-users] Re: Is there a way to omit particles with q=0, from Coulomb-/PME-calculations? Thomas Schlesier
[gmx-users] Is there a way to omit particles with, q=0, from Coulomb-/PME-calculations? Thomas Schlesier
[gmx-users] Re: Is there a way to omit particles with, q=0, from, Coulomb-/PME-calculations? Thomas Schlesier
[gmx-users] analysis tools Roland Schulz
[gmx-users] The Kepler technology SebastianWaltz
[gmx-users] System Exploding Alex Seling
[gmx-users] System Exploding Alex Seling
[gmx-users] problem Anik Sen
[gmx-users] thanx Anik Sen
[gmx-users] HEME topology Anik Sen
[gmx-users] (no subject) Anik Sen
[gmx-users] (no subject) Anik Sen
[gmx-users] (no subject) Anik Sen
[gmx-users] a query Anik Sen
[gmx-users] a query Anik Sen
[gmx-users] topology missing Anik Sen
[gmx-users] (no subject) Anik Sen
[gmx-users] A query Anik Sen
[gmx-users] A query Anik Sen
[gmx-users] sudden jumps in RMSD etc. Yun Shi
[gmx-users] Exchange interval in REMD Michael Shirts
[gmx-users] Energy Calculation Dhanachandra Singh
[gmx-users] Charge fitting David van der Spoel
[gmx-users] Re: Folding rate David van der Spoel
[gmx-users] trjconv keeps asking for tpr David van der Spoel
[gmx-users] PRODRG charges David van der Spoel
[gmx-users] optimum acceptance ratio for REMD David van der Spoel
[gmx-users] Chemical Potential David van der Spoel
[gmx-users] Model N2 molecules David van der Spoel
[gmx-users] Model N2 molecules David van der Spoel
[gmx-users] Exchange interval in REMD David van der Spoel
[gmx-users] Force Field for Vacuum simulation David van der Spoel
[gmx-users] Force Field for Vacuum simulation David van der Spoel
[gmx-users] develop parameters for small molecules David van der Spoel
[gmx-users] Dihedral potential with chirality David van der Spoel
[gmx-users] (no subject) James Starlight
[gmx-users] Simulation of membrane protein in vacuu 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] Force Field for Vacuum simulation James Starlight
[gmx-users] forcefield.itp file for gromos45a3 and oplsaa XUEMING TANG
[gmx-users] forcefield.itp file for gromos45a3 and oplsaa XUEMING TANG
[gmx-users] pdb2gmx -ss option Pierre THEVENET
[gmx-users] nodes error Terry
[gmx-users] Re: nodes error Terry
[gmx-users] topolbuild1_3:Illegal characters for size information line in mol2 file. Tom
[gmx-users] problem in finding gromos53a6.ff Anushree Tripathi
[gmx-users] problem in creating forcefield.doc Anushree Tripathi
[gmx-users] problem in creating forcefield.doc Anushree Tripathi
[gmx-users] problem in generation of tpr file Anushree Tripathi
[gmx-users] problem in generation of tpr file Anushree Tripathi
[gmx-users] Query regarding energy minimization for packing the lipids around the protein Anushree Tripathi
[gmx-users] problem with energy minimization Anushree Tripathi
[gmx-users] problem with volume equilibration Anushree Tripathi
[gmx-users] problem with volume equilibration Anushree Tripathi
[gmx-users] problem with energy minimization Anushree Tripathi
[gmx-users] problem with making index.ndx Anushree Tripathi
[gmx-users] installation problem Jose Tusell
[gmx-users] Re: installation problem Jose Tusell
[gmx-users] Re: gmx-users Digest, Vol 93, Issue 72 Ravi Kumar Venkatraman
[gmx-users] Regarding Molecular Viewer Ravi Kumar Venkatraman
[gmx-users] Regarding trajectory file Ravi Kumar Venkatraman
[gmx-users] Regarding ngmx with double precision Ravi Kumar Venkatraman
[gmx-users] Regarding Extracting Coordinates of Solvent in FCS alone Ravi Kumar Venkatraman
[gmx-users] mdrun on GROMACS 3.3.1 Francesca Vitalini
[gmx-users] mdrun on GROMACS 3.3.1 Francesca Vitalini
[gmx-users] About g_rms and the XPM file format Víctor
[gmx-users] About g_rms and the XPM file format Víctor
[gmx-users] About g_rms and the XPM file format Víctor
[gmx-users] About g_rms and the XPM file format Víctor
[gmx-users] -fitall option problems Víctor
[gmx-users] questions on distance restraints NG HUI WEN
[gmx-users] questions on distance restraints NG HUI WEN
[gmx-users] questions on distance restraints NG HUI WEN
[gmx-users] questions on distance restraints NG HUI WEN
[gmx-users] Number/name of the last frame in a trajectory Mirco Wahab
[gmx-users] Regarding trajectory file Mirco Wahab
[gmx-users] Problem in Disulfide Bond between different chain! Xianwei Wang
[gmx-users] Problem in Disulfide Bond between different chain! Xianwei Wang
[gmx-users] Problem in Disulfide Bond between different chain! Xianwei Wang
[gmx-users] another question about performance Dallas Warren
[gmx-users] g_rdf Dallas Warren
[gmx-users] trjconv keeps asking for tpr Tsjerk Wassenaar
[gmx-users] regarding rmsd and md Tsjerk Wassenaar
[gmx-users] regarding NVT Tsjerk Wassenaar
[gmx-users] how to calculate position displacements ?? Tsjerk Wassenaar
[gmx-users] multi file input for index files Tsjerk Wassenaar
[gmx-users] Coupling groups - Thermostat Tsjerk Wassenaar
[gmx-users] Coupling groups - Thermostat Tsjerk Wassenaar
Fw: [gmx-users] trjconv in martini Tsjerk Wassenaar
Fw: [gmx-users] trjconv in martini Tsjerk Wassenaar
Fw: [gmx-users] trjconv in martini Tsjerk Wassenaar
[gmx-users] questions on distance restraints Tsjerk Wassenaar
[gmx-users] getting rid of PBC, completely Tsjerk Wassenaar
[gmx-users] getting rid of PBC, completely Tsjerk Wassenaar
[gmx-users] getting rid of PBC, completely Tsjerk Wassenaar
[gmx-users] About g_rms and the XPM file format Tsjerk Wassenaar
[gmx-users] -fitall option problems Tsjerk Wassenaar
[gmx-users] pdb2gmx changes conformation? Tsjerk Wassenaar
[gmx-users] root-mean-square distance Tsjerk Wassenaar
[gmx-users] root-mean-square distance Tsjerk Wassenaar
[gmx-users] problem with energy minimization Tsjerk Wassenaar
[gmx-users] make_ndx select atoms from different residues Zhuyi Xue
[gmx-users] protein in solution Yao Yao
[gmx-users] Question about "nsttcouple" Size Zheng
[gmx-users] Re: Re: Question about "nsttcouple" Size Zheng
[gmx-users] Question about Andersen thermostat Size Zheng
[gmx-users] [~solved] Force field for polymer molecule - tips Jernej Zidar
[gmx-users] LINCS warnings and number of cpus Matthew Zwier
[gmx-users] g_mindist on 51-frame trajectory gives 51 minimum distances but <51 atom pairs Matthew Zwier
[gmx-users] g_mindist on 51-frame trajectory gives 51 minimum distances but <51 atom pairs Matthew Zwier
[gmx-users] Re: g_mindist on 51-frame trajectory gives 51 minimum distances but <51 atom pairs Matthew Zwier
[gmx-users] Error in installation kumud agarwal
[gmx-users] getting started with gromacs kumud agarwal
[gmx-users] getting started with gromacs kumud agarwal
[gmx-users] getting started with gromacs kumud agarwal
[gmx-users] getting started with gromacs kumud agarwal
[gmx-users] getting started with gromacs kumud agarwal
Fw: [gmx-users] trjconv in martini mohammad agha
Fw: Fw: [gmx-users] trjconv in martini mohammad agha
[gmx-users] xtcrev.py script mohammad agha
Fw: [gmx-users] trjconv in martini mohammad agha
Fw: [gmx-users] trjconv in martini mohammad agha
Fw: [gmx-users] trjconv in martini mohammad agha
[gmx-users] aniline beads mohammad agha
[gmx-users] beads in martini corse-grained mohammad agha
[gmx-users] walls in martini mohammad agha
[gmx-users] walls mohammad agha
[gmx-users] table potential mohammad agha
[gmx-users] g_rdf mohammad agha
[gmx-users] g_rdf mohammad agha
[gmx-users] umbrella sampling tutorial quastion przemek bartha
[gmx-users] PRODRG charges gpat at bioacademy.gr
[gmx-users] h-bonds constraints for DPPC sim? gpat at bioacademy.gr
[gmx-users] help with ed sampling Neva bsk
[gmx-users] Installing & uninstalling of gromacs Spring buds
[gmx-users] Installing & uninstalling of gromacs Spring buds
[gmx-users] Installing & uninstalling of gromacs Spring buds
[gmx-users] Installing & uninstalling of gromacs Spring buds
[gmx-users] Installing & uninstalling of gromacs Spring buds
[gmx-users] RMSD value madhumita das
[gmx-users] CHARMM27 Force field najwa drici
[gmx-users] CHARMM27 Force field najwa drici
[gmx-users] (no subject) dina dusti
[gmx-users] (no subject) dina dusti
[gmx-users] micelle formation dina dusti
[gmx-users] micelle formation dina dusti
[gmx-users] root-mean-square distance dina dusti
[gmx-users] root-mean-square distance dina dusti
[gmx-users] root-mean-square distance dina dusti
[gmx-users] g_dist dina dusti
[gmx-users] pdb2gmx -ss option pithevenet at free.fr
[gmx-users] pdb2gmx -ss option pithevenet at free.fr
[gmx-users] grompp g96angle types error pithevenet at free.fr
[gmx-users] grompp g96angle types error pithevenet at free.fr
[gmx-users] grompp g96angle types error pithevenet at free.fr
[gmx-users] pb2gmx SS bond selection pithevenet at free.fr
[gmx-users] mdrun-gpu error aiswarya.pawar at gmail.com
[gmx-users] Gromacs on GPU aiswarya.pawar at gmail.com
[gmx-users] Regarding AIB RESIDUE NOT FOUND IN RESIDUE TOPOLOGY DATABASE ajaniharesh at gmail.com
[gmx-users] Re: Folding rate bharat gupta
[gmx-users] Re: Folding rate bharat gupta
[gmx-users] REMD error bharat gupta
[gmx-users] REMD error bharat gupta
[gmx-users] REMD error bharat gupta
[gmx-users] REMD error bharat gupta
[gmx-users] Chromophore residue patch in gromacs bharat gupta
[gmx-users] Chromophore residue patch in gromacs bharat gupta
[gmx-users] Charge fitting parto haghighi
[gmx-users] free energy and charges parto haghighi
[gmx-users] free energy (coordinates file) parto haghighi
[gmx-users] position restrain parto haghighi
[gmx-users] umbrella-drug parto haghighi
[gmx-users] umbrella-drug parto haghighi
[gmx-users] umbrella curve parto haghighi
[gmx-users] Regarding NVT & NPT ensemble ajani haresh
[gmx-users] Re: gmx-users Digest, Vol 93, Issue 52 ajani haresh
[gmx-users] Re: Assigning protonation states using Amber ff intra\sa175950
[gmx-users] simulation killed mehmet kıytak
[gmx-users] simulation killed mehmet kıytak
[gmx-users] simulation killed mehmet kıytak
[gmx-users] unscribe lina
[gmx-users] REMD error lina
[gmx-users] Failed to lock: md.log. No locks available. lina
[gmx-users] Failed to lock: md.log. No locks available. lina
[gmx-users] Failed to lock: md.log. No locks available. lina
[gmx-users] force field lina
[gmx-users] Implicit solvent model in Gromacs lina
[gmx-users] About g_rms and the XPM file format lina
[gmx-users] Implicit solvent model in Gromacs lina
[gmx-users] Installing & uninstalling of gromacs lina
[gmx-users] Installing & uninstalling of gromacs lina
[gmx-users] adding hydrogen lina
[gmx-users] umbrella-drug lina
[gmx-users] simulation killed lina
[gmx-users] Trajectory lina
[gmx-users] simulation killed lina
[gmx-users] simulation killed lina
[gmx-users] copper and His residues ljin1988
[gmx-users] copper and His residues ljin1988
[gmx-users] Fw: The results of your email commands banafsheh mehrazma
[gmx-users] Help about g_hbond and angle cutoff alejandro esteban blanco munoz
[gmx-users] g_kinetics and data.xvg file saber naderi
[gmx-users] Running_crashed_run shahid nayeem
[gmx-users] MMPBSA shahid nayeem
[gmx-users]-Snapshots cuong nguyen
[gmx-users]-Snapshots cuong nguyen
[gmx-users] genbox cuong nguyen
[gmx-users] high forces francesco oteri
[gmx-users] no output in atm-pair.out aiswarya pawar
[gmx-users] Invalid T coupling input: 1 groups, 2 ref_t values and 2 tau_t values aiswarya pawar
[gmx-users] Invalid T coupling input: 1 groups, 2 ref_t values and 2 tau_t values aiswarya pawar
[gmx-users] Regarding trajectory file aiswarya pawar
[gmx-users] mdrun-gpu error aiswarya pawar
[gmx-users] mdrun-gpu error aiswarya pawar
[gmx-users] mdrun-gpu error aiswarya pawar
[gmx-users] mdrun-gpu error aiswarya pawar
[gmx-users] mdrun-gpu error aiswarya pawar
[gmx-users] mdrun-gpu error aiswarya pawar
[gmx-users] grompp error for CNT+surfactant simulation niaz poorgholami
[gmx-users] rigid carbon nanotube niaz poorgholami
[gmx-users] Error in atom type anu raj
[gmx-users] gromacs installtion error venkatesh s
[gmx-users] About spacing in umbrella sampling vidhya sankar
[gmx-users] genbox vidhya sankar
[gmx-users] About solvation vidhya sankar
[gmx-users] Abot genbox and editcon vidhya sankar
[gmx-users] a installation problem of gromacs4.5.4 using mpi mircial at sjtu.edu.cn
[gmx-users] Re: problem of installing gromacs4.5.4 mircial at sjtu.edu.cn
[gmx-users] pdb2gmx -ter with cyclic peptide andrea spitaleri
[gmx-users] unscribe yp sun
[gmx-users] regarding NVT equilibration priya thiyagarajan
[gmx-users] regarding nvt priya thiyagarajan
[gmx-users] regarding NVT priya thiyagarajan
[gmx-users] regarding rmsd and md priya thiyagarajan
[gmx-users] regarding NVT priya thiyagarajan
[gmx-users] regarding NVT priya thiyagarajan
[gmx-users] regarding nvt priya thiyagarajan
[gmx-users] regarding rmsd plot obtained for less time priya thiyagarajan
[gmx-users] regarding box dimension and number of solvent molecules priya thiyagarajan
[gmx-users] regarding boxtype and numer of solvent molecules.. priya thiyagarajan
[gmx-users] regarding number of molecules effect priya thiyagarajan
[gmx-users] Re: Folding rate felmerino at uchile.cl
[gmx-users] problems with KALP-15 IN DPPC tutorial scaprari at uniroma3.it
[gmx-users] GROMACS_reverse version command g_fg2cg francesca vitalini
[gmx-users] GROMACS_reverse version command g_fg2cg francesca vitalini
[gmx-users] reverse transformation francesca vitalini
[gmx-users] mdrun on GROMACS 3.3.1 francesca vitalini
[gmx-users] mdrun on GROMACS 3.3.1 francesca vitalini
[gmx-users] copper and His residues xianqiang
[gmx-users] copper and His residues xianqiang
[gmx-users] pmf contradicts <E_pot> alexander yakovenko
[gmx-users] multi file input for index files ahmet yıldırım
[gmx-users] multi file input for index files ahmet yıldırım
[gmx-users] multi file input for index files ahmet yıldırım
[gmx-users] Error in installation ahmet yıldırım
[gmx-users] How to the define the A and B states for the calculation of free energy xu zhijun
[gmx-users] How to the define the A and B states for the calculation of free energy xu zhijun
[gmx-users] How to the define the A and B states for the calculation of free energy xu zhijun
[gmx-users] free energy tutorial 6 murat özçelik
[gmx-users] Free energy tutorial 6 murat özçelik
[gmx-users] simulation killed murat özçelik
[gmx-users] simulation killed murat özçelik
[gmx-users] Restraints for specific residues Андрей Гончар
[gmx-users] Restraints for specific residues Андрей Гончар
[gmx-users] Restraints for specific residues Андрей Гончар
[gmx-users] Installing GMX-GPU 4.5.5 Андрей Гончар

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