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 aminoacids.rtp.
or is there any methods in gromacs to convert one dihedral functional form to the other. Thank you, Regards, Ramesh.
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