CHARMM forcefield multiplicity in GROMACS?

08 August 2013 1 5K Report

I'm very new to CHARMM parameteris in GROMACS. While reading topology files I saw a "multiplicity" section that gives several different params for the same dihedral angle. I'd like to know what does this "multiplicity" means? Is it a number of minimas in dihedral profile?

Jeffrey Potoff

This tutorial should explain what you need to know about torsional potentials:

http://www.ks.uiuc.edu/Training/Tutorials/science/forcefield-tutorial/forcefield-html/node6.html

This page describes how torsional potentials are developed in CHARMM

http://dogmans.umaryland.edu/~kenno/tutorial/

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