MMParameters.h File Reference

#include "Parameters/AngleParameters.h"
#include "Parameters/BondParameters.h"
#include "Topology/AngleType.h"
#include "Topology/BondType.h"
#include <map>

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Classes
class	Scine::MolecularMechanics::MMParameters
	Base class for the MM parameters classes, which holds and manages the bond and angle parameters as these are identically handled for SFAM and GAFF. Functions are still labeled as virtual such that these can be overwritten. 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.