Hi, Does anybody know how to define for a specific bond a double-well potential?
I've looking into the definitions in the gromacs manual (manual.gromacs.org/current/reference-manual/topologies/topology-file-formats.html and manual.gromacs.org/current/reference-manual/functions/bonded-interactions.html), but for now I can only imagine using bond restraints in a similar manner shown here for position restraints: manual.gromacs.org/current/reference-manual/functions/restraints.html It feels like there should be a more elegant way of doing that. Thanks for your suggestions in advance! Best, Jacek ________________________________________________ Dr. Jacek Kozuch Freie Universität Berlin Fachbereich Physik Arnimallee 14 Raum 1.1.35 14 195 Berlin ________________________________________________ -- 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.
