hello all I got a urgent request to make a MD movie for pulling the ligand out of the binding site/or the ligand flying into the pocket . I feel like i need to run something like steered md, which I've never done before. So can anyone please suggest a quick and "dirty" way to generate such a movie?
Thank you!! Victor -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
