>FWIW, we have a complete CHARMM36 + latest CGenFF available at our website to >save you some pain: http://mackerell.umaryland.edu/charmm_ff.shtml#gromacs
That looks helpful. Thanks. >So if it finds a bonded interaction that involves an atom type >it doesn't know about (e.g. you have a type in ffbonded.itp but not >ffnonbonded.itp, which I bet is the case here) you get a fatal error. Got it! It's a little more subtle that that though. forcefield.itp has >#include "ffcgenbonded.itp" >#include "ffcgennonbonded.itp" so it's loading the bonded parameters before the non-bonded, it needs to be the other way around. I'd never have worked that out on my own. Now to fix the next error. Thanks for the help! Jon -- 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.
