Well, the main purpose is to average the energy or any desired property along any desired coordinate axis. simple binning of the box will do the job, but I was wondering if this can be done in general with gromacs post simulation tools.
Payman On Fri, 2009-10-16 at 16:05 -0400, Justin A. Lemkul wrote: > > Paymon Pirzadeh wrote: > > Hello, > > In a simulation, how is it possible to extract the profiles e.g. > > potential as a function of z (coordinate axis of box)? > > > > g_potential can do this for electrostatic potential, but I don't know about > anything else. I don't think it is a trivial question to decompose the > potential of the entire system along any axis. > > -Justin > > > Payman > > > > _______________________________________________ > > gmx-users mailing list gmx-users@gromacs.org > > 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 gmx-users-requ...@gromacs.org. > > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > > > _______________________________________________ gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
