Impementing a different type of dihedral equation

Perci,

This is doable. However, you will have to construct the # Dihedral_Info section in the input file manually. The script for generating mcf file currently handles only one type of dihedral type input. My suggestion is to use to script to generate the mcf file using one dihedral type and assign fake parameters to the dihderal angles for which you want to modify the dihedral type. This will generate an mcf file with all the dihderal angles listed and then those of interest can have a different dihderal type with associated parameters.

Jindal