I am working with a local copy of oplsaa.ff where I have defined a set of custom atom types in atomname2type.n2t and added the bond and angle parameters into ffbonded. x2top creates the topology without issues, but grompp reports a fatal error (see subject). The particular type it complains about is actually opls_335. Gromacs v. 4.6-beta3. Any ideas?
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 [email protected].
