Hi all, I am not entirely sure it's a question for the Gromacs community, as this is regarding CHARMM36, but it appears that the original forcefield is fine, while I am confused by its Gromacs version.
Namely this: the MacKerell website distributes a Gromacs version of CHARMM36 where ffnonbonded.itp has pretty much all default charges set to zero. Is this called for?? I apologize in advance if this is a dumb or misdirected question, as I've never worked with CHARMM before. Thank you, Alex -- 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.
