Hello all, I am trying to add new parameters for a molecule and I have to define dihedrals because I'll have different values for the same dihedral depending on the position they are in the molecule.
My question is, where do I define the type o function for the dihedral that is defined in the ffbonded.itp? On the ones already there it's only #define dih_X_X_X_X and the parameters, there's no identification of the function being used. Thanks in advance, -- *Rafael R. Romeiro* *Ph.D. student - Thermodynamics of biochemical systems* *Universidade de São Paulo, Escola Politécnica - Departamento de Engenharia Química* *GEnBio - Grupo de Engenharia de Bioprocessos (http://sites.usp.br/genbio/ <http://sites.usp.br/genbio/>)* *(11) 96867-2703 / 3091-2282* -- 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.