[gmx-users] multiple dihedral function types - regd

ramesh cheerla rameshgromacs at gmail.com
Tue Apr 10 19:33:44 CEST 2012

Dear gromacs users,

                               For one of my residues i have two types of
dihedral functions,  i.e  C-C dihedrals  are in periodic type and C-O
dihedrals are in the Ryckaert-bellemans type, now i want to generate the
topology file for this  residue is it possible to use the two dihedral
function types for this residue. I  have tried by using two different
dihedraltypes  directives one is for the periodic type and another one is
for Ryckaert-Bellemans function, but how can i incorporate the two
functional types in the dihedrals section of the  bondedtypes directive in

or is there any methods in gromacs to convert one dihedral functional form
to the other.

Thank you,

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