GaffMolecularMechanicsCalculator.h File Reference

#include "../Interactions/AnglesEvaluator.h"
#include "../Interactions/BondsEvaluator.h"
#include "../Interactions/DihedralsEvaluator.h"
#include "../Interactions/ElectrostaticEvaluator.h"
#include "../Interactions/LennardJonesEvaluator.h"
#include "../MolecularMechanicsCalculator.h"
#include "../Topology/IndexedStructuralTopology.h"
#include "GaffAtomTypeIdentifier.h"
#include "GaffParameters.h"

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Classes
class	Scine::MolecularMechanics::GaffMolecularMechanicsCalculator
	Calculator for the GAFF Molecular Mechanics method. 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.