March 2010 Archives by author

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Starting: Mon Mar 1 01:11:06 CET 2010
Ending: Wed Mar 31 23:50:12 CEST 2010
Messages: 710

[gmx-users] cvs version Mu Yuguang (Dr)
[gmx-users] g_sas Mark Abraham
[gmx-users] NVE of water Mark Abraham
[gmx-users] How to add a new non-bonded interaction into Gromacs Mark Abraham
[gmx-users] parallel Mark Abraham
[gmx-users] Re: Minimizing a structure having a heteroatom Mark Abraham
[gmx-users] gromacs memory usage Mark Abraham
[gmx-users] Re: GROMACS PME on BLUEGENE Mark Abraham
[gmx-users] g_mindist periodic boundary condition Mark Abraham
[gmx-users] gromacs memory usage Mark Abraham
[gmx-users] g_mindist periodic boundary condition Mark Abraham
[gmx-users] harmonic restraints Mark Abraham
[gmx-users] topol.top Mark Abraham
[gmx-users] Gromacs 4.0.6 installation error Mark Abraham
[gmx-users] pdb & gro files Mark Abraham
[gmx-users] Force between groups Mark Abraham
[gmx-users] mdrun_d not running in parallel Mark Abraham
[gmx-users] intrinsic viscosity Mark Abraham
[gmx-users] reading xtc,trr and edr files Mark Abraham
[gmx-users] problem with interaction energy calculated by g_energy Mark Abraham
[gmx-users] Re: mdrun_d not running in parallel Mark Abraham
[gmx-users] g_mindist output Mark Abraham
[gmx-users] Re:problem with interaction energy calculated by g_energy Mark Abraham
[gmx-users] center peptide in simulation box Mark Abraham
[gmx-users] Re:problem with interaction energy calculated by g_energy Mark Abraham
[gmx-users] Re: problem with icc compiler Mark Abraham
[gmx-users] simulating several proteins Mark Abraham
[gmx-users] problem with icc compiler Mark Abraham
[gmx-users] rmsf question Mark Abraham
[gmx-users] rmsf question Mark Abraham
[gmx-users] gen_vel error Mark Abraham
[gmx-users] cross-correlations as a function of interatomic distance Mark Abraham
[gmx-users] rmsf question Mark Abraham
[gmx-users] gromacs 4.0 on CRAY-XT4 Mark Abraham
[gmx-users] gromacs 4.0 on CRAY-XT4 Mark Abraham
[gmx-users] exclusions for a specific model Mark Abraham
Re: 答复: [gmx-users] compile problem on Centos X86_64 with gcc44 and fftw2 Mark Abraham
[gmx-users] new/old gromacs-wiki Mark Abraham
[gmx-users] Fw: query regarding pdb2gmx program for protein with metal and a ligand Mark Abraham
[gmx-users] Using lennard jones and buckingham terms simultaneously Mark Abraham
[gmx-users] Literature for DNA Binding Protein Simulations Mark Abraham
[gmx-users] extract subsystem energy: problem with mdrun -rerun and LJ(SR) Mark Abraham
[gmx-users] Query regarding toplogy of Manganese ion in protein Mark Abraham
[gmx-users] CG Force and Potential through do_force() Mark Abraham
[gmx-users] CG Force and Potential through do_force() Mark Abraham
[gmx-users] Hydrogen Bond Acceptor-Donor List Mark Abraham
[gmx-users] omit solvent's coordinates in output file Mark Abraham
[gmx-users] CG Force and Potential through do_force() Mark Abraham
[gmx-users] CG Force and Potential through do_force() Mark Abraham
[gmx-users] Using lennard jones and buckingham terms simultaneously Mark Abraham
[gmx-users] CG Force and Potential through do_force() Mark Abraham
[gmx-users] Please help to change the force field Mark Abraham
[gmx-users] checkpointing in 4.0.7 Mark Abraham
[gmx-users] How to merge 2 simulation boxes? Mark Abraham
[gmx-users] output forces between group of atoms Mark Abraham
[gmx-users] Difference between kinetic energy from .xvg file and calculated kinetic energy from velocities Mark Abraham
[gmx-users] Regarding increasing the time period of previous simulation Mark Abraham
[gmx-users] Parallel vs Serial Gromacs Run Results Mark Abraham
[gmx-users] RE: Difference between kinetic energy from .xvg file and calculated kinetic energy from velocities Mark Abraham
[gmx-users] configure error Mark Abraham
[gmx-users] About Git version of Gromacs Mark Abraham
[gmx-users] Cannot allocate memory Mark Abraham
[gmx-users] MPI problem——Cannot compile and link MPI code with cc Mark Abraham
[gmx-users] RE:directed trajectories Mark Abraham
[gmx-users] regarding gen-pairs Mark Abraham
[gmx-users] how to get angle-time data? Mark Abraham
[gmx-users] about Git in Gromacs Mark Abraham
[gmx-users] Pressure average problem Mark Abraham
[gmx-users] Using lennard jones and buckingham terms simultaneously Mark Abraham
[gmx-users] NVE mdp Mark Abraham
[gmx-users] Distorted protein structure after MD simulation Mark Abraham
[gmx-users] suitable parameter settings for intermolecular non-bonded interaction Mark Abraham
[gmx-users] suitable parameter settings for intermolecular non-bonded interaction Mark Abraham
[gmx-users] density tip3p Mark Abraham
[gmx-users] External Force and Box Size Archana S Achalere
[gmx-users] about water models Alan
[gmx-users] Re: about water models Alan
[gmx-users] Re: gmx-users Digest, Vol 71, Issue 102 Amil Anderson
[gmx-users] NVE of water Andrea
[gmx-users] pdb & gro files Andrea
[gmx-users] On the new web site, how does one make a user contribution? Rossen Apostolov
[gmx-users] topol.top Zuzana Benkova
[gmx-users] topol.top Zuzana Benkova
[gmx-users] topol.top Zuzana Benkova
[gmx-users] topol.top Zuzana Benkova
[gmx-users] T-coupling groups Zuzana Benkova
[gmx-users] T-coupling groups Zuzana Benkova
[gmx-users] isopropanol parameters? Jose Borreguero
[gmx-users] isopropanol parameters? Jose Borreguero
[gmx-users] problem with icc compiler Erik Brandt
[gmx-users] Problems with umbrella sampling Jennifer Casey
[gmx-users] Re: diffusion coefficient of oxygen molecule Vitaly V. Chaban
[gmx-users] Re: density vs time Vitaly V. Chaban
[gmx-users] Re:density vs time Vitaly V. Chaban
[gmx-users] gromacs/mopac interface Vitaly V. Chaban
[gmx-users] Re: x2top Vitaly V. Chaban
[gmx-users] Re: x2top Vitaly V. Chaban
[gmx-users] Re: Using lennard jones and buckingham terms simultaneously Vitaly V. Chaban
[gmx-users] Re:x2top Vitaly V. Chaban
[gmx-users] Re: cutoff problem Vitaly V. Chaban
[gmx-users] Re: cutoff problem Vitaly V. Chaban
[gmx-users] Re: Problem with GROMACS, please guide me Vitaly V. Chaban
[gmx-users] Re: How to merge 2 simulation boxes? Vitaly V. Chaban
[gmx-users] Constraining periodic cell David Chalmers
[gmx-users] Constraining periodic cell David Chalmers
[gmx-users] gromacs memory usage Amit Choubey
[gmx-users] gromacs memory usage Amit Choubey
[gmx-users] gromacs memory usage Amit Choubey
[gmx-users] gromacs memory usage Amit Choubey
[gmx-users] gromacs memory usage Amit Choubey
[gmx-users] gromacs memory usage Amit Choubey
[gmx-users] gromacs memory usage Amit Choubey
[gmx-users] diffusion coefficient of oxygen molecule Amit Choubey
[gmx-users] How to merge 2 simulation boxes? Amit Choubey
[gmx-users] Converting a solvent box file from Amber Simone Cirri
[gmx-users] Steered MD: Gromacs 4.0 Matthew L. Danielson
[gmx-users] what's the differences between double precise version and single precise? DreamCatcher
[gmx-users] MPI problem——Cannot compile and link MPI code with cc DreamCatcher
[gmx-users] Re: MPI problem——Cannot compile and link MPI code with cc DreamCatcher
[gmx-users] inaccuracy in g_dipoles log Dmitri Dubov
[gmx-users] huge field.xvg output Dmitri Dubov
[gmx-users] energy minimization of a box containing two Na+ ions and water does not converge Ozge Engin
[gmx-users] energy minimization of a box containing two Na+ ions and water does not converge Ozge Engin
[gmx-users] problem with the energy minimization of a system composed of two NA+ ions and explicit water Ozge Engin
[gmx-users] Continuous trajectory from trjconv? Pablo Englebienne
[gmx-users] Re: Continuous trajectory from trjconv? Pablo Englebienne
[gmx-users] Parallel pulling with Gromacs 4.0.7: COMM mode problem Aykut Erbas
[gmx-users] Parallel pulling with Gromacs 4.0.7: COMM mode problem Aykut Erbas
[gmx-users] Parallel pulling with Gromacs 4.0.7: COMM mode problem Aykut Erbas
[gmx-users] Parallel pulling with Gromacs 4.0.7: COMM mode problem Aykut Erbas
[gmx-users] Parallel pulling with Gromacs 4.0.7: COMM mode problem Aykut Erbas
[gmx-users] Parallel pulling with Gromacs 4.0.7: COMM mode problem Aykut Erbas
[gmx-users] NVE of water Ran Friedman
[gmx-users] NVE of water Ran Friedman
[gmx-users] NVE of water Ran Friedman
[gmx-users] NVE of water Ran Friedman
[gmx-users] Turn-off water optimisation Ran Friedman
[gmx-users] correlation function 'time value' ? Ramachandran G
[gmx-users] NVE mdp Ramachandran G
[gmx-users] What is Dmax, and are .tpr files transferrable between operating systems Warren Gallin
[gmx-users] simulation with CsCl Cecilia Fernándz Gauna
[gmx-users] Free Energy Calculation Anirban Ghosh
[gmx-users] Free Energy Calculation Anirban Ghosh
[gmx-users] Hydrogen Bond Acceptor-Donor List Anirban Ghosh
[gmx-users] g_order 4.0.7 Jayeeta Ghosh
[gmx-users] g_order 4.0.7 Jayeeta Ghosh
[gmx-users] NVE of water Berk Hess
[gmx-users] Constraining periodic cell Berk Hess
[gmx-users] NVE of water Berk Hess
[gmx-users] NVE of water Berk Hess
[gmx-users] g_nmeig_d error: can't allocate region Berk Hess
[gmx-users] problem with the size of freeze groups Berk Hess
[gmx-users] GPU GROMACS Berk Hess
[gmx-users] Turn-off water optimisation Berk Hess
[gmx-users] Turn-off water optimisation Berk Hess
[gmx-users] inaccuracy in g_dipoles log Berk Hess
[gmx-users] Using trjcat to subdivide a trajectory into two trajectories (depending on a criterion) Berk Hess
[gmx-users] diffusion coefficient of oxygen Berk Hess
[gmx-users] problems with non pbc simulations in parallel Berk Hess
[gmx-users] huge field.xvg output Berk Hess
[gmx-users] Re: problem with icc compiler Berk Hess
[gmx-users] Brownian Dynamics - Tabulated Potential Berk Hess
[gmx-users] defining value in the mdp file Berk Hess
[gmx-users] Problems with umbrella sampling Berk Hess
[gmx-users] test particle insertion with PME Berk Hess
[gmx-users] how to reconstruct potentials of mean force through time series analysis of SMD or pulling simulations Berk Hess
[gmx-users] problem with the energy minimization of a system composed of two NA+ ions and explicit water Berk Hess
[gmx-users] Parallel pulling with Gromacs 4.0.7: COMM mode problem Berk Hess
[gmx-users] Parallel pulling with Gromacs 4.0.7: COMM mode problem Berk Hess
[gmx-users] about water models Berk Hess
[gmx-users] Chloroform as Solvent Esteban Gabriel Vega Hissi
[gmx-users] Distance for contacts of 0.6 nm Stefan Hoorman
[gmx-users] g_bundle problem Stefan Hoorman
[gmx-users] Re: g_bundle problem Stefan Hoorman
[gmx-users] Re: Re: g_bundle problem Stefan Hoorman
[gmx-users] Re: Re: Re: g_bundle problem Stefan Hoorman
[gmx-users] Re: Re: Re: Re: g_bundle problem Stefan Hoorman
[gmx-users] g_wham error Jochen Hub
[gmx-users] make ghost atom Jochen Hub
[gmx-users] mean force. Jochen Hub
[gmx-users] Facing difficulty to install gromacs -reg ITHAYARAJA
[gmx-users] pdb & gro files Carla Jamous
[gmx-users] g_rms warning Carla Jamous
[gmx-users] gen_vel error Carla Jamous
[gmx-users] Extending simulations Carla Jamous
[gmx-users] g_helix Carla Jamous
[gmx-users] g_mindist periodic boundary condition Dian Jiao
[gmx-users] g_mindist periodic boundary condition Dian Jiao
[gmx-users] g_mindist periodic boundary condition Dian Jiao
[gmx-users] g_mindist periodic boundary condition Dian Jiao
[gmx-users] Gromacs 4.0.6 installation error Dian Jiao
[gmx-users] Gromacs 4.0.6 installation error Dian Jiao
[gmx-users] Gromacs 4.0.6 installation error Dian Jiao
[gmx-users] g_mindist output Dian Jiao
[gmx-users] g_mindist output Dian Jiao
[gmx-users] g_dist and vsites Joe Joe
[gmx-users] g_dist and vsites Joe Joe
[gmx-users] g_dist and vsites Joe Joe
[gmx-users] g_dist and vsites Joe Joe
[gmx-users] g_dist and vsites Joe Joe
[gmx-users] g_dist and vsites Joe Joe
[gmx-users] g_dist and vsites Joe Joe
[gmx-users] g_dist and vsites Joe Joe
[gmx-users] topolbuild 1.3, revision to topolbuild that incorporates OPLS-AA support Joe Joe
[gmx-users] Regarding defining termini in new rtp entry Joe Joe
[gmx-users] Regarding defining termini in new rtp entry Joe Joe
[gmx-users] problem with using pdb2gmx on a single amino acid Joe Joe
[gmx-users] trjconv and ions Joe Joe
[gmx-users] trjconv and ions Joe Joe
[gmx-users] Negative number of RMSD calculations left in g_cluster Bob Johnson
[gmx-users] Subtraction of xpm files Itamar Kass
[gmx-users] Brownian Dynamics - Tabulated Potential Jun Soo Kim
[gmx-users] Brownian Dynamics - Tabulated Potential Jun Soo Kim
[gmx-users] Re: mdrun_d not running in parallel Sarath Kumar
[gmx-users] RE: Anisotropic pressure control Justin A. Lemkul
[gmx-users] NVE of water Justin A. Lemkul
[gmx-users] Temperature Coupling and Coupling-Groups Justin A. Lemkul
[gmx-users] Temperature Coupling and Coupling-Groups Justin A. Lemkul
[gmx-users] Re: Choice of value of rlist, rvdw and rcoulomb Justin A. Lemkul
[gmx-users] Re: topology does not match Justin A. Lemkul
[gmx-users] NVT simulation and mdp file Justin A. Lemkul
[gmx-users] External forces Justin A. Lemkul
[gmx-users] NVT simulation and mdp file Justin A. Lemkul
[gmx-users] Multiprotein lipid bilayer Justin A. Lemkul
[gmx-users] Multiprotein lipid bilayer Justin A. Lemkul
[gmx-users] NVT simulation and mdp file Justin A. Lemkul
[gmx-users] NVT simulation and mdp file Justin A. Lemkul
[gmx-users] NVT simulation and mdp file Justin A. Lemkul
[gmx-users] NVT simulation and mdp file Justin A. Lemkul
[gmx-users] Gromacs 4.0.6 installation error Justin A. Lemkul
[gmx-users] Gromacs 4.0.6 installation error Justin A. Lemkul
[gmx-users] Calculating Binding Affinity between Protein and Ligand using FEP Justin A. Lemkul
[gmx-users] energy minimization Justin A. Lemkul
[gmx-users] Re: pdb2gmx command Justin A. Lemkul
[gmx-users] Subtraction of xpm files Justin A. Lemkul
[gmx-users] mdrun_d not running in parallel Justin A. Lemkul
[gmx-users] large number of molecules Justin A. Lemkul
[gmx-users] large number of molecules Justin A. Lemkul
[gmx-users] large number of molecules Justin A. Lemkul
[gmx-users] g_mindist output Justin A. Lemkul
[gmx-users] g_dist output Justin A. Lemkul
[gmx-users] g_dist output Justin A. Lemkul
[gmx-users] g_dist output Justin A. Lemkul
[gmx-users] g_dist output Justin A. Lemkul
[gmx-users] local destabilization of bilayer Justin A. Lemkul
[gmx-users] local destabilization of bilayer Justin A. Lemkul
[gmx-users] large number of molecules Justin A. Lemkul
[gmx-users] trjcat and trjconv Justin A. Lemkul
[gmx-users] On the new web site, how does one make a user contribution? Justin A. Lemkul
[gmx-users] editconf/genbox: molecular complex outside simulation box Justin A. Lemkul
[gmx-users] Re: gmx-users Digest, Vol 71, Issue 37 (Calculating Binding Affinity between Protein and Ligand using FEP) Justin A. Lemkul
[gmx-users] diffusion coefficient of oxygen Justin A. Lemkul
[gmx-users] protein in dppc Justin A. Lemkul
[gmx-users] simulating several proteins Justin A. Lemkul
[gmx-users] Steered MD: Gromacs 4.0 Justin A. Lemkul
[gmx-users] Re: NPT MD Run Problem Justin A. Lemkul
[gmx-users] waterbox Justin A. Lemkul
[gmx-users] g_order 4.0.7 Justin A. Lemkul
[gmx-users] waterbox Justin A. Lemkul
[gmx-users] g_order 4.0.7 Justin A. Lemkul
[gmx-users] Re: NPT MD Run Problem Justin A. Lemkul
[gmx-users] Regarding defining termini in new rtp entry Justin A. Lemkul
[gmx-users] problem with using pdb2gmx on a single amino acid Justin A. Lemkul
[gmx-users] Energy per residue Justin A. Lemkul
[gmx-users] Energy per residue Justin A. Lemkul
[gmx-users] free energy Justin A. Lemkul
[gmx-users] Re: How to control the density Justin A. Lemkul
[gmx-users] Binding energy for two proteins Justin A. Lemkul
[gmx-users] gen_vel error Justin A. Lemkul
[gmx-users] g_wham error Justin A. Lemkul
[gmx-users] Thickness Justin A. Lemkul
[gmx-users] g_rdf Justin A. Lemkul
[gmx-users] g_rdf Justin A. Lemkul
[gmx-users] Gromacs website Justin A. Lemkul
[gmx-users] g_wham error Justin A. Lemkul
[gmx-users] g_wham error Justin A. Lemkul
[gmx-users] density vs time Justin A. Lemkul
[gmx-users] density vs time Justin A. Lemkul
[gmx-users] density vs time Justin A. Lemkul
[gmx-users] Simultaing protein, water and lipid together Justin A. Lemkul
[gmx-users] Extending simulations Justin A. Lemkul
[gmx-users] MD localized in the active site Justin A. Lemkul
[gmx-users] charge group assignment with AMBER parameters Justin A. Lemkul
[gmx-users] What is Dmax, and are .tpr files transferrable between operating systems Justin A. Lemkul
[gmx-users] T-coupling groups Justin A. Lemkul
[gmx-users] g_bundle problem Justin A. Lemkul
[gmx-users] g_bundle problem Justin A. Lemkul
[gmx-users] compile problem on Centos X86_64 with gcc44 and fftw2 Justin A. Lemkul
[gmx-users] Converting a solvent box file from Amber Justin A. Lemkul
[gmx-users] Converting a solvent box file from Amber Justin A. Lemkul
[gmx-users] Re: g_bundle problem Justin A. Lemkul
[gmx-users] charge group assignment with AMBER parameters Justin A. Lemkul
[gmx-users] Re: Re: g_bundle problem Justin A. Lemkul
[gmx-users] averaged pressure not consistent with set value Justin A. Lemkul
[gmx-users] Facing difficulty to install gromacs -reg Justin A. Lemkul
[gmx-users] Literature for DNA Binding Protein Simulations Justin A. Lemkul
[gmx-users] Re: x2top Justin A. Lemkul
[gmx-users] Fw: query regarding pdb2gmx program for protein with metal and a ligand Justin A. Lemkul
[gmx-users] Re: x2top Justin A. Lemkul
[gmx-users] Where can I find the source code of x2top? Justin A. Lemkul
[gmx-users] trn file Justin A. Lemkul
[gmx-users] Literature for DNA Binding Protein Simulations Justin A. Lemkul
[gmx-users] trn file Justin A. Lemkul
[gmx-users] Using lennard jones and buckingham terms simultaneously Justin A. Lemkul
[gmx-users] how to combine 2 DPPC lipid bilayers Justin A. Lemkul
[gmx-users] Query regarding toplogy of Manganese ion in protein Justin A. Lemkul
[gmx-users] how to reconstruct potentials of mean force through time series analysis of SMD or pulling simulations Justin A. Lemkul
[gmx-users] how to analye a single structure (NMR or X-ray) by PCA? Justin A. Lemkul
[gmx-users] how to reconstruct potentials of mean force through time series analysis of SMD or pulling simulations Justin A. Lemkul
[gmx-users] how to reconstruct potentials of mean force through time series analysis of SMD or pulling simulations Justin A. Lemkul
[gmx-users] how to reconstruct potentials of mean force through time series analysis of SMD or pulling simulations Justin A. Lemkul
[gmx-users] cutoff problem Justin A. Lemkul
[gmx-users] Re: Re: Re: g_bundle problem Justin A. Lemkul
[gmx-users] Re: Re: Re: Re: g_bundle problem Justin A. Lemkul
[gmx-users] Re: cutoff problem Justin A. Lemkul
[gmx-users] query regarding neutralisation of charge on protein Justin A. Lemkul
[gmx-users] omit solvent's coordinates in output file Justin A. Lemkul
[gmx-users] simulation with CsCl Justin A. Lemkul
[gmx-users] genion: can you place the ions at one location in the box? Justin A. Lemkul
[gmx-users] How to include sodium ion Justin A. Lemkul
[gmx-users] Fatal error: Atomtype Qd not found Justin A. Lemkul
[gmx-users] how to set pull_rate Justin A. Lemkul
[gmx-users] Fatal error: Atomtype Qd not found Justin A. Lemkul
[gmx-users] what's the differences between double precise version and single precise? Justin A. Lemkul
[gmx-users] energy minimization of a box containing two Na+ ions and water does not converge Justin A. Lemkul
[gmx-users] g_helix Justin A. Lemkul
[gmx-users] water box with prescribed volume and density Justin A. Lemkul
[gmx-users] Urey Bradley Parameters in GROMACS Justin A. Lemkul
[gmx-users] POPC Membrane + protein dynamics Justin A. Lemkul
[gmx-users] POPC Membrane + protein dynamics Justin A. Lemkul
[gmx-users] query regarding atom type Justin A. Lemkul
[gmx-users] query regarding atom type Justin A. Lemkul
[gmx-users] Inner product between old and new vector <= 0.0! Justin A. Lemkul
[gmx-users] Re: MPI problem——Cannot compile and link MPI code with cc Justin A. Lemkul
[gmx-users] Re: How to include sodium ion (Reply to Justin's mail) Justin A. Lemkul
[gmx-users] genion: can you place the ions at one location in the box? Justin A. Lemkul
[gmx-users] genion: can you place the ions at one location in the box? Justin A. Lemkul
[gmx-users] problem with the energy minimization of a system composed of two NA+ ions and explicit water Justin A. Lemkul
[gmx-users] Signal 11 crash Justin A. Lemkul
[gmx-users] water box with prescribed volume and density Justin A. Lemkul
[gmx-users] Chloroform as Solvent Justin A. Lemkul
[gmx-users] mix berger ff with opls Marc Ferdinand Lensink
[gmx-users] trjcat and trjconv Chih-Ying Lin
[gmx-users] RE: Anisotropic pressure control Matteus Lindgren
[gmx-users] g_cluster ROHIT MALSHE
[gmx-users] External forces ROHIT MALSHE
[gmx-users] SiO2 ROHIT MALSHE
[gmx-users] MD localized in the active site Anna Marabotti
[gmx-users] diffusion coefficient of oxygen molecule Erik Marklund
[gmx-users] rdf problem Erik Marklund
[gmx-users] MD localized in the active site Erik Marklund
[gmx-users] CG Force and Potential through do_force() Sikandar Mashayak
[gmx-users] CG Force and Potential through do_force() Sikandar Mashayak
[gmx-users] CG Force and Potential through do_force() Sikandar Mashayak
[gmx-users] CG Force and Potential through do_force() Sikandar Mashayak
[gmx-users] CG Force and Potential through do_force() Sikandar Mashayak
[gmx-users] Parallel vs Serial Gromacs Run Results Sikandar Mashayak
[gmx-users] Force between groups Michael McGovern
[gmx-users] parallel Gavin Melaugh
[gmx-users] parallel simulations Gavin Melaugh
[gmx-users] parallel simulations Gavin Melaugh
[gmx-users] Problems with parallel run Gavin Melaugh
[gmx-users] Problems with parallel run Gavin Melaugh
[gmx-users] problems with non pbc simulations in parallel Gavin Melaugh
[gmx-users] problems with non pbc simulations in parallel Gavin Melaugh
[gmx-users] problems with non pbc simulations in parallel Gavin Melaugh
[gmx-users] MPI problem------Cannot compile and link MPI code with cc Gavin Melaugh
[gmx-users] regarding gen-pairs Gavin Melaugh
[gmx-users] Extending simulations Milan Melichercik
[gmx-users] about g_sas analysis Milan Melichercik
[gmx-users] g_bundle problem Milan Melichercik
[gmx-users] simulating several proteins Cristiano De Michele
[gmx-users] simulating several proteins Cristiano De Michele
[gmx-users] simulating several proteins Cristiano De Michele
[gmx-users] exclusions for a specific model Cristiano De Michele
[gmx-users] modified VdW potential Cristiano De Michele
[gmx-users] extract subsystem energy: problem with mdrun -rerun and LJ(SR) Andrea Minoia
[gmx-users] extract subsystem energy: problem with mdrun -rerun and LJ(SR) Andrea Minoia
[gmx-users] extract subsystem energy: problem with mdrun -rerun and LJ(SR) Andrea Minoia
[gmx-users] Re: script to constraint distance between ligand and protein David Mobley
[gmx-users] Please help me with ACPYPI TRANG NGUYEN
[gmx-users] Converting SDF to Mol2 Format Nancy
[gmx-users] Re: g_desort Chris Neale
[gmx-users] Parallel pulling with Gromacs 4.0.7: COMM mode problem Chris Neale
[gmx-users] rmsf question Andrei Neamtu
[gmx-users] rmsf question Andrei Neamtu
[gmx-users] rmsf question Andrei Neamtu
[gmx-users] rmsf question Andrei Neamtu
[gmx-users] g_wham error Gard Nelson
[gmx-users] g_wham error Gard Nelson
[gmx-users] Re: Choice of value of rlist, rvdw and rcoulomb Lum Nforbi
[gmx-users] How to include sodium ion Lum Nforbi
[gmx-users] Re: How to include sodium ion (Reply to Justin's mail) Lum Nforbi
[gmx-users] make ghost atom Park, Jae Hyun nmn
[gmx-users] harmonic restraints XAvier Periole
[gmx-users] defining value in the mdp file XAvier Periole
[gmx-users] defining value in the mdp file XAvier Periole
[gmx-users] rmsf question XAvier Periole
[gmx-users] rmsf question XAvier Periole
[gmx-users] Re: cutoff problem XAvier Periole
[gmx-users] CG Force and Potential through do_force() XAvier Periole
[gmx-users] Re: cutoff problem XAvier Periole
[gmx-users] Re: Problem with GROMACS, please guide me XAvier Periole
[gmx-users] regarding gen-pairs XAvier Periole
[gmx-users] how to get angle-time data? XAvier Periole
[gmx-users] Literature for DNA Binding Protein Simulations Arden Perkins
[gmx-users] Literature for DNA Binding Protein Simulations Arden Perkins
[gmx-users] Re: AMBER force fields for ATP Thomas Piggot
[gmx-users] reading xtc,trr and edr files Paymon Pirzadeh
[gmx-users] 2D NPT simulations Sai Pooja
[gmx-users] FEP dEkin/dlambda dG/dl constr. values continuously coming out 0.00000e+00 Sander Pronk
[gmx-users] averaged pressure not consistent with set value Sander Pronk
[gmx-users] Free Energy Calculation Sander Pronk
[gmx-users] Signal 11 crash Sander Pronk
[gmx-users] git installation error Sander Pronk
[gmx-users] gmx_fatal.c, line: 481 Sander Pronk
[gmx-users] Exploding box (in one dimension) Semi-isotropic pressure coupling? Sander Pronk
[gmx-users] Exploding box (in one dimension) Semi-isotropic pressure coupling? Sander Pronk
[gmx-users] density tip3p Sander Pronk
[gmx-users] suitable parameter settings for intermolecular non-bonded interaction Sander Pronk
[gmx-users] free energy calculations for two ligands Sai Kumar Ramadugu
[gmx-users] genion: can you place the ions at one location in the box? Smiruthi Ramasubramanian
[gmx-users] genion: can you place the ions at one location in the box? Smiruthi Ramasubramanian
[gmx-users] Dynamics cross correlation map Ran Friedman, Biochemisches Inst.
[gmx-users] On the new web site, how does one make a user contribution? Bruce D. Ray
[gmx-users] topolbuild 1.3, revision to topolbuild that incorporates OPLS-AA support Bruce D. Ray
[gmx-users] On the new web site, how does one make a user contribution? Bruce D. Ray
[gmx-users] On the new web site, how does one make a user contribution? Bruce D. Ray
[gmx-users] topolbuild 1.3, revision to topolbuild that incorporates OPLS-AA support Bruce D. Ray
[gmx-users] center peptide in simulation box Maurício Menegatti Rigo
[gmx-users] problems with non pbc simulations in parallel Maurício Menegatti Rigo
[gmx-users] problems with non pbc simulations in parallel Maurício Menegatti Rigo
[gmx-users] trn file Maurício Menegatti Rigo
[gmx-users] trn file Maurício Menegatti Rigo
[gmx-users] compile problem on Centos X86_64 with gcc44 and fftw2 Wu Rongqin
答复: [gmx-users] compile problem on Centos X86_64 with gcc44 and fftw2 Wu Rongqin
[gmx-users] averaged pressure not consistent with set value Wu Rongqin
[gmx-users] how to get angle-time data? Wu Rongqin
[gmx-users] Difference between kinetic energy from .xvg file and calculated kinetic energy from velocities Samantha Sanders
[gmx-users] RE: Difference between kinetic energy from .xvg file and calculated kinetic energy from velocities Samantha Sanders
[gmx-users] Turn-off water optimisation Thomas Schlesier
[gmx-users] Turn-off water optimisation Thomas Schlesier
[gmx-users] Turn-off water optimisation Thomas Schlesier
[gmx-users] Turn-off water optimisation Thomas Schlesier
[gmx-users] problem with icc compiler Thomas Schlesier
[gmx-users] Re: problem with icc compiler Thomas Schlesier
[gmx-users] problem with icc compiler Thomas Schlesier
[gmx-users] Re: problem with icc compiler Thomas Schlesier
[gmx-users] Re: Problems with umbrella sampling Thomas Schlesier
[gmx-users] gromacs memory usage Roland Schulz
[gmx-users] gromacs memory usage Roland Schulz
[gmx-users] gromacs memory usage Roland Schulz
[gmx-users] gromacs memory usage Roland Schulz
[gmx-users] gromacs memory usage Roland Schulz
[gmx-users] gromacs 4.0 on CRAY-XT4 Roland Schulz
[gmx-users] implcit solvent Roland Schulz
[gmx-users] gromacs 4.0 on CRAY-XT4 Roland Schulz
[gmx-users] Using trjcat to subdivide a trajectory into two trajectories (depending on a criterion) Christian Seifert
[gmx-users] new/old gromacs-wiki Christian Seifert
[gmx-users] GPU GROMACS Jack Shultz
[gmx-users] g_dist output John Shultz
[gmx-users] g_dist output John Shultz
[gmx-users] g_dist output John Shultz
[gmx-users] g_dist output John Shultz
[gmx-users] g_dist output John Shultz
[gmx-users] gromacs memory usage Alexey Shvetsov
SV: [gmx-users] Order parameter for unsaturated lipid chain in UAmodel Tim Sirk
SV: [gmx-users] Order parameter for unsaturated lipid chain in UAmodel Tim Sirk
[gmx-users] Please help to change the force field Alexandr Sorochan
[gmx-users] Constraining periodic cell David van der Spoel
[gmx-users] Constraining periodic cell David van der Spoel
[gmx-users] Temperature Coupling and Coupling-Groups David van der Spoel
[gmx-users] g_cluster David van der Spoel
[gmx-users] ethanol bond types David van der Spoel
[gmx-users] isopropanol parameters? David van der Spoel
[gmx-users] Fwd: pdb2gmx command David van der Spoel
[gmx-users] intrinsic viscosity David van der Spoel
[gmx-users] External Force and Box Size David van der Spoel
[gmx-users] g_dist and vsites David van der Spoel
[gmx-users] g_dist and vsites David van der Spoel
[gmx-users] g_dist and vsites David van der Spoel
[gmx-users] g_hbond David van der Spoel
[gmx-users] LIE energy values for dimers David van der Spoel
[gmx-users] g_hbond output David van der Spoel
[gmx-users] Distance for contacts of 0.6 nm David van der Spoel
[gmx-users] Fwd: Deprotonated Cys David van der Spoel
[gmx-users] Converting a solvent box file from Amber David van der Spoel
[gmx-users] Negative number of RMSD calculations left in g_cluster David van der Spoel
[gmx-users] vapor phase pmf correction David van der Spoel
[gmx-users] Can GROMACs use multiple van der Waals potentials and multiple van der Waals potential cutoffs? David van der Spoel
[gmx-users] Re Can GROMACs use multiple van der Waals potentials and multiple van der Waals potential cutoffs? David van der Spoel
[gmx-users] charge group assignment with AMBER parameters Jacob Spooner
[gmx-users] charge group assignment with AMBER parameters Jacob Spooner
[gmx-users] Problems with parallel run Oliver Stueker
[gmx-users] large number of molecules Oliver Stueker
[gmx-users] Re: How to include sodium ion (Reply to Justin's mail) Oliver Stueker
[gmx-users] How to add a new non-bonded interaction into Gromacs Tandia, Adama
[gmx-users] diffusion coefficient of oxygen molecule Sunil Thapa
[gmx-users] diffusion coefficient of oxygen Sunil Thapa
[gmx-users] oxydiffusion Sunil Thapa
[gmx-users] oxydiff Sunil Thapa
[gmx-users] g_covar & g_anaeig problems Jared James Thompson
[gmx-users] Using lennard jones and buckingham terms simultaneously Gareth Tribello
[gmx-users] Using lennard jones and buckingham terms simultaneously Gareth Tribello
[gmx-users] Using lennard jones and buckingham terms simultaneously Gareth Tribello
[gmx-users] vapor phase pmf correction Robin C. Underwood
[gmx-users] rdf problem Antonia V.
[gmx-users] rdf problem Antonia V.
[gmx-users] rdf problem Antonia V.
[gmx-users] Urey Bradley Parameters in GROMACS PRADEEP VENKATARAMAN
[gmx-users] cutoff problem Qian Wang
[gmx-users] how to set pull_rate Qian Wang
[gmx-users] removal of center of mass motion needed for accelerated water molecules? Yang Wang
[gmx-users] Anisotropic pressure control Dallas B. Warren
[gmx-users] ethanol bond types Dallas B. Warren
[gmx-users] large number of molecules Dallas B. Warren
[gmx-users] rdf problem Dallas B. Warren
[gmx-users] density vs time Dallas B. Warren
[gmx-users] about water models Dallas B. Warren
[gmx-users] g_sas Tsjerk Wassenaar
[gmx-users] Continuous trajectory from trjconv? Tsjerk Wassenaar
[gmx-users] gromacs memory usage Tsjerk Wassenaar
[gmx-users] g_mindist periodic boundary condition Tsjerk Wassenaar
[gmx-users] g_mindist periodic boundary condition Tsjerk Wassenaar
[gmx-users] g_rms warning Tsjerk Wassenaar
[gmx-users] Regarding defining termini in new rtp entry Tsjerk Wassenaar
[gmx-users] rmsf question Tsjerk Wassenaar
[gmx-users] rmsf question Tsjerk Wassenaar
[gmx-users] cross-correlations as a function of interatomic distance Tsjerk Wassenaar
[gmx-users] MD localized in the active site Tsjerk Wassenaar
[gmx-users] about g_sas analysis Tsjerk Wassenaar
[gmx-users] g_covar -ref Tsjerk Wassenaar
[gmx-users] g_covar -ref Tsjerk Wassenaar
[gmx-users] g_covar -ref Tsjerk Wassenaar
[gmx-users] g_covar -ref Tsjerk Wassenaar
[gmx-users] Dynamics cross correlation map Tsjerk Wassenaar
[gmx-users] Dynamics cross correlation map Tsjerk Wassenaar
[gmx-users] how to analye a single structure (NMR or X-ray) by PCA? Tsjerk Wassenaar
[gmx-users] trjconv and ions Tsjerk Wassenaar
[gmx-users] g_covar & g_anaeig problems Tsjerk Wassenaar
[gmx-users] RE:directed trajectories Tsjerk Wassenaar
[gmx-users] Using lennard jones and buckingham terms simultaneously Matthew Watkins
[gmx-users] Using lennard jones and buckingham terms simultaneously Matthew Watkins
[gmx-users] [help]How to produce .top file from Material Studio Yang Ye
[gmx-users] cvs version Yang Ye
[gmx-users] checkpointing in 4.0.7 Dr. Leonid Yelash
[gmx-users] checkpointing in 4.0.7 Dr. Leonid Yelash
[gmx-users] mix berger ff with opls BIN ZHANG
[gmx-users] mix berger ff with opls BIN ZHANG
[gmx-users] mix berger ff with opls BIN ZHANG
[gmx-users] gromacs 4.0 on CRAY-XT4 BIN ZHANG
[gmx-users] gromacs 4.0 on CRAY-XT4 BIN ZHANG
[gmx-users] gromacs 4.0 on CRAY-XT4 BIN ZHANG
[gmx-users] gromacs 4.0 on CRAY-XT4 BIN ZHANG
[gmx-users] output forces between group of atoms BIN ZHANG
[gmx-users] output forces between group of atoms BIN ZHANG
[gmx-users] problem with interaction energy calculated by g_energy Qiong Zhang
[gmx-users] Re:problem with interaction energy calculated by g_energy Qiong Zhang
[gmx-users] Re:problem with interaction energy calculated by g_energy Qiong Zhang
[gmx-users] Re:problem with interaction energy calculated by g_energy Qiong Zhang
[gmx-users] Re:problem with interaction energy calculated by g_energy Qiong Zhang
[gmx-users] Re:problem with interaction energy calculated by g_energy Qiong Zhang
[gmx-users] Can GROMACs use multiple van der Waals potentials and multiple van der Waals potential cutoffs? hong bingbing
[gmx-users] Re Can GROMACs use multiple van der Waals potentials and multiple van der Waals potential cutoffs? hong bingbing
回复： [gmx-users] Re Can GROMACs use multiple van der Waals potentials and multiple van der Waals potential cutoffs? hong bingbing
[gmx-users] Multiprotein lipid bilayer ram bio
[gmx-users] Multiprotein lipid bilayer ram bio
[gmx-users] Multiprotein lipid bilayer ram bio
[gmx-users] make ghost atom ilona.baldus at bioquant.uni-heidelberg.de
[gmx-users] gmx_fatal.c, line: 481 carolsilva1 at cantv.net
[gmx-users] g_nmeig_d error: can't allocate region sarbani chattopadhyay
Re: RE: [gmx-users] g_nmeig_d error: can't allocate region sarbani chattopadhyay
[gmx-users] mdrun_d not running in parallel sarbani chattopadhyay
[gmx-users] query regarding normal mode analysis sarbani chattopadhyay
[gmx-users] query regarding normal mode analysis sarbani chattopadhyay
[gmx-users] Free Energy Calculations jorge_quintero at ciencias.uis.edu.co
[gmx-users] Free Energy Calculations jorge_quintero at ciencias.uis.edu.co
[gmx-users] LIE energy values for dimers jorge_quintero at ciencias.uis.edu.co
[gmx-users] LIE energy values for dimers jorge_quintero at ciencias.uis.edu.co
[gmx-users] Binding energy for two proteins jorge_quintero at ciencias.uis.edu.co
[gmx-users] Fw: query regarding pdb2gmx program for protein with metal and a ligand sonali dhindwal
[gmx-users] Query regarding toplogy of Manganese ion in protein sonali dhindwal
[gmx-users] Re: Query regarding toplogy of Manganese ion in protein sonali dhindwal
[gmx-users] Query regarding toplogy of Manganese ion in protein sonali dhindwal
[gmx-users] query regarding neutralisation of charge on protein sonali dhindwal
[gmx-users] Regarding increasing the time period of previous simulation sonali dhindwal
[gmx-users] query regarding atom type sonali dhindwal
[gmx-users] query regarding atom type sonali dhindwal
[gmx-users] query regarding atom type sonali dhindwal
[gmx-users] Distorted protein structure after MD simulation sonali dhindwal
[gmx-users] editconf/genbox: molecular complex outside simulation box vedat durmaz
[gmx-users] g_hbond output vedat durmaz
[gmx-users] omit solvent's coordinates in output file vedat durmaz
[gmx-users] suitable parameter settings for intermolecular non-bonded interaction vedat durmaz
[gmx-users] suitable parameter settings for intermolecular non-bonded interaction vedat durmaz
[gmx-users] suitable parameter settings for intermolecular non-bonded interaction vedat durmaz
[gmx-users] implicit solvent milad ekramnia
[gmx-users] implcit solvent milad ekramnia
[gmx-users] center peptide in simulation box politr at fh.huji.ac.il
[gmx-users] g_rdf politr at fh.huji.ac.il
[gmx-users] Position restrained dynamics crash sukesh chandra gain
[gmx-users] Dynamic cross correlation map sukesh chandra gain
[gmx-users] Dynamics cross correlation map sukesh chandra gain
[gmx-users] Dynamics cross correlation map sukesh chandra gain
[gmx-users] About Git version of Gromacs babu gokul
[gmx-users] about Git in Gromacs babu gokul
[gmx-users] git installation error babu gokul
[gmx-users] water box with prescribed volume and density grivet
[gmx-users] water box with prescribed volume and density grivet
[gmx-users] Re: Minimizing a structure having a heteroatom bharat gupta
[gmx-users] Fwd: pdb2gmx command bharat gupta
[gmx-users] Re: pdb2gmx command bharat gupta
[gmx-users] Calculating Binding Affinity between Protein and Ligand using FEP sunita gupta
[gmx-users] Re: gmx-users Digest, Vol 71, Issue 37 sunita gupta
[gmx-users] FEP dEkin/dlambda dG/dl constr. values continuously coming out 0.00000e+00 sunita gupta
[gmx-users] Simultaing protein, water and lipid together radhika jaswal
[gmx-users] harmonic restraints Ajeeta kaushiki
[gmx-users] mean force. lammps lammps
[gmx-users] protein in dppc edmund lee
[gmx-users] how to combine 2 DPPC lipid bilayers edmund lee
[gmx-users] video: Introduction to molecular dynamics simulations anna_gromacs at libero.it
[gmx-users] configure error lina
[gmx-users] Re: configure error lina
[gmx-users] Cannot allocate memory lina
[gmx-users] local destabilization of bilayer afsaneh maleki
[gmx-users] local destabilization of bilayer afsaneh maleki
[gmx-users] Energy per residue afsaneh maleki
[gmx-users] Energy per residue afsaneh maleki
[gmx-users] free energy afsaneh maleki
[gmx-users] Thickness afsaneh maleki
[gmx-users] about g_sas analysis supti mukherjee
[gmx-users] Distorted protein structure after MD simulation prajwal nandekar
[gmx-users] POPC Membrane + protein dynamics padhu at ncbs.res.in
[gmx-users] Temperature Coupling and Coupling-Groups shayamra at post.tau.ac.il
[gmx-users] Temperature Coupling and Coupling-Groups shayamra at post.tau.ac.il
[gmx-users] g_sas pawan raghav
[gmx-users] RE:directed trajectories lloyd riggs
[gmx-users] Semi-isotropic pressure coupling. sapna sarupria
[gmx-users] Exploding box (in one dimension) Semi-isotropic pressure coupling? sapna sarupria
[gmx-users] Exploding box (in one dimension) Semi-isotropic pressure coupling? sapna sarupria
[gmx-users] Exploding box (in one dimension) Semi-isotropic pressure coupling? sapna sarupria
[gmx-users] energy minimization shahab shariati
[gmx-users] g_hbond shahab shariati
[gmx-users] cross-correlations as a function of interatomic distance shahab shariati
[gmx-users] cross-correlations as a function of interatomic distance shahab shariati
[gmx-users] POPC Membrane + protein dynamics ravi sharma
[gmx-users] POPC Membrane + protein dynamics ravi sharma
[gmx-users] problem with the size of freeze groups jampani srinivas
[gmx-users] problem with the size of freeze groups jampani srinivas
[gmx-users] problem with the size of freeze groups jampani srinivas
[gmx-users] T-coupling groups jampani srinivas
[gmx-users] g_covar & g_anaeig problems Arne.Wagner at student.uib.no
[gmx-users] g_covar -ref vijaya subramanian
[gmx-users] g_covar -ref vijaya subramanian
[gmx-users] g_covar -ref vijaya subramanian
[gmx-users] g_covar -ref vijaya subramanian
[gmx-users] g_covar -ref vijaya subramanian
[gmx-users] large number of molecules ksm tprk
[gmx-users] large number of molecules ksm tprk
[gmx-users] large number of molecules ksm tprk
[gmx-users] [help]How to produce .top file from Material Studio szewczyk at ualberta.ca
[gmx-users] NVT simulation and mdp file teklebrh at ualberta.ca
[gmx-users] NVT simulation and mdp file teklebrh at ualberta.ca
[gmx-users] NVT simulation and mdp file teklebrh at ualberta.ca
[gmx-users] NVT simulation and mdp file teklebrh at ualberta.ca
[gmx-users] NPT MD Run Problem teklebrh at ualberta.ca
[gmx-users] Re: NPT MD Run Problem teklebrh at ualberta.ca
[gmx-users] Re: How to control the density teklebrh at ualberta.ca
[gmx-users] test particle insertion with PME Schneck at uni-heidelberg.de
[gmx-users] intrinsic viscosity cesteban at unsl.edu.ar
[gmx-users] Steered MD: Gromacs 4.0 chris.neale at utoronto.ca
[gmx-users] mix berger ff with opls chris.neale at utoronto.ca
[gmx-users] mix berger ff with opls chris.neale at utoronto.ca
[gmx-users] Re: g_desort chris.neale at utoronto.ca
[gmx-users] Parallel pulling with Gromacs 4.0.7: COMM mode problem chris.neale at utoronto.ca
[gmx-users] Parallel pulling with Gromacs 4.0.7: COMM mode problem chris.neale at utoronto.ca
[gmx-users] Parallel pulling with Gromacs 4.0.7: COMM mode problem chris.neale at utoronto.ca
[gmx-users] ethanol bond types nishap.patel at utoronto.ca
[gmx-users] ethanol bond types nishap.patel at utoronto.ca
[gmx-users] waterbox nishap.patel at utoronto.ca
[gmx-users] waterbox nishap.patel at utoronto.ca
[gmx-users] density vs time nishap.patel at utoronto.ca
[gmx-users] density vs time nishap.patel at utoronto.ca
[gmx-users] Re: density vs time nishap.patel at utoronto.ca
[gmx-users] Pressure average problem nishap.patel at utoronto.ca
[gmx-users] Pressure average problem nishap.patel at utoronto.ca
[gmx-users] density tip3p nishap.patel at utoronto.ca
[gmx-users] density tip3p nishap.patel at utoronto.ca
[gmx-users] density tip3p nishap.patel at utoronto.ca
[gmx-users] Fatal error: Atomtype Qd not found rainy908 at yahoo.com
[gmx-users] Fatal error: Atomtype Qd not found rainy908 at yahoo.com
[gmx-users] Fatal error: Atomtype Qd not found rainy908 at yahoo.com
[gmx-users] how to reconstruct potentials of mean force through time series analysis of SMD or pulling simulations xi zhao
[gmx-users] how to analye a single structure (NMR or X-ray) by PCA? xi zhao
[gmx-users] how to reconstruct potentials of mean force through time series analysis of SMD or pulling simulations xi zhao
[gmx-users] how to reconstruct potentials of mean force through time series analysis of SMD or pulling simulations xi zhao
[gmx-users] how to reconstruct potentials of mean force through time series analysis of SMD or pulling simulations xi zhao
[gmx-users] editconf/genbox: molecular complex outside simulation box durmaz at zib.de
[gmx-users] query regarding atom type durmaz at zib.de
[gmx-users] Fail to reproduce shifted VDW 吴鹏
[gmx-users] [help]How to produce .top file from Material Studio 程迪
[gmx-users] Re: gmx-users Digest, Vol 71, Issue 105 程迪
[gmx-users] Re: gmx-users Digest, Vol 71, Issue 105 程迪
[gmx-users] Re: x2top 程迪
[gmx-users] Where can I find the source code of x2top? 程迪
[gmx-users] Re: x2top 程迪
[gmx-users] How to merge 2 simulation boxes? 程迪
[gmx-users] Inner product between old and new vector <= 0.0! 程迪
[gmx-users] Signal 11 crash 程迪
[gmx-users] Signal 11 crash 程迪

Last message date: Wed Mar 31 23:50:12 CEST 2010
Archived on: Thu Nov 14 12:08:24 CET 2013

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