GaffPotentialTermsGenerator.h File Reference

#include "../Interactions/AngleTerm.h"
#include "../Interactions/BondedTerm.h"
#include "../Interactions/DihedralTerm.h"
#include "../Interactions/ImproperDihedralTerm.h"
#include <vector>

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Classes
class	Scine::MolecularMechanics::GaffPotentialTermsGenerator
	This class creates the actual potential terms that are employed during a GAFF molecular mechanics calculation. It combines information about structure (bonds, angles, etc), atom types and parameters in order to do so. More...

Detailed Description

Copyright

This code is licensed under the 3-clause BSD license.
Copyright ETH Zurich, Department of Chemistry and Applied Biosciences, Reiher Group.
See LICENSE.txt for details.