GaffParameters.h File Reference

#include "../MMParameters.h"
#include "../Parameters/AngleParameters.h"
#include "../Parameters/BondParameters.h"
#include "../Parameters/DihedralParameters.h"
#include "../Parameters/ImproperDihedralParameters.h"
#include "../Parameters/LennardJonesParameters.h"
#include "../Topology/AngleType.h"
#include "../Topology/BondType.h"
#include "../Topology/DihedralType.h"
#include "../Topology/ImproperDihedralType.h"
#include <Eigen/Core>
#include <map>
#include <vector>

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Classes
class	Scine::MolecularMechanics::GaffParameters
	Class containing the parameters for the GAFF model obtained after parsing a GAFF parameter file. The angle and bond parameters are handled by the base class MMParameters. 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.