Actually I guess I need to generate the xtc first before I can get the xvg I am trying to develop a workflow for this mdrun g dist calculates the distances between the centers of mass of two groups g bond calculates distances between atoms g msd calculates mean square displacements g rms calculates rmsd’s with a reference structure and rmsd matrices g rmsf calculates atomic fluctuations g energy writes energies to xvg files and displays averages
On Tue, Nov 10, 2009 at 9:24 PM, Amit Choubey <[email protected]> wrote: > > > On Tue, Nov 10, 2009 at 6:11 PM, Jack Shultz <[email protected]> > wrote: >> >> Hi I am trying to generate xvg files for my simulation. Which >> parameter do I need to specify? > > xvg files for what? They are used for data files for 2D plots of quantities > that can be analyzed... > Can you be more specific? > amit >> >> -- >> Jack >> >> http://drugdiscoveryathome.com >> http://hydrogenathome.org >> -- >> gmx-users mailing list [email protected] >> http://lists.gromacs.org/mailman/listinfo/gmx-users >> Please search the archive at http://www.gromacs.org/search before posting! >> Please don't post (un)subscribe requests to the list. Use the >> www interface or send it to [email protected]. >> Can't post? Read http://www.gromacs.org/mailing_lists/users.php > > > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > -- Jack http://drugdiscoveryathome.com http://hydrogenathome.org -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
