Hi, I'm trying to figure out the differences between Gromacs and CHARMM implementation of CMAP.
In Gromacs it seems to be defined as a 5 body term, whereas in CHARMM, its a 8 body term. I thought CMAP was a correction between a pair of dihedrals, 4 atoms define a dihedral, so I'm not sure how the .top format can specify this relationship using only 5 atoms. Could anyone shed some light on converting between them. thanks-- gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
