[AMBER] CHARM force field

From: Chi Jin <jinchi.chemistry.msu.edu>
Date: Mon, 15 Aug 2016 20:48:12 +0000

Dear faculty,

We want to introduce 2D dihedral energy corrections to the force field of our system. How should we implement CHARMM force field within Amber (for example, by loading a CHARM lib in tleap.in and modify the force constant of the desired dihedrals in that lib file) ?

Jin Chi
PhD student
Department of Chemistry
Michigan State University
East Lansing, MI 48824
Tel: (517)-355-9715 x261
AMBER mailing list
Received on Mon Aug 15 2016 - 14:00:03 PDT
Custom Search