1. Run mdrun with nstfout set appropriately 2. g_traj -h 3. g_analyze -h 4. Profit!
Mark On Tue, Dec 11, 2012 at 3:31 PM, khuws <kh...@khuws.plus.com> wrote: > Hi > Does anyone know if, and if so how, GROMACS can generate a force > autocorrelation function? > If this is not possible then can I extract the force exterted by each atom > on a single labelled atom? > Regards > Ted > > > > -- > View this message in context: > http://gromacs.5086.n6.nabble.com/force-autocorrelation-tp5003656.html > Sent from the GROMACS Users Forum mailing list archive at Nabble.com. > -- > 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/Support/Mailing_Lists/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/Support/Mailing_Lists > -- 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/Support/Mailing_Lists/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/Support/Mailing_Lists
