I'm attempting to build a costume fragment library of beta amino acids with GAFF parametrization. I have converted the AMBER assigned parameters with acpype, built my .rtp .atp and .itp files. Everything works fine, until grompp, there i get a lot of "No default Ryckaert-Bell. types" errors. The problem is, that the dihedrals in question are mentioned in the ffbonded.itp file, but the atomtypes are not in good order. How do i figure out the RB parameters for these bonds, in the precise order? Is there a way to convert the parameters to the desired order?
Thank you in advance! Lukacs Nemeth -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
