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class CharmmFF
: ForceField
{
%TypeHeaderCode
#include <BALL/MOLMEC/CHARMM/charmm.h>
%End
public:
CharmmFF();
CharmmFF(System&);
CharmmFF(System&, const Options&);
CharmmFF(const CharmmFF&);
~CharmmFF();
virtual bool specificSetup() throw(TooManyErrors);
double getStretchEnergy() const;
double getBendEnergy() const;
double getTorsionEnergy() const;
double getImproperTorsionEnergy() const;
double getProperTorsionEnergy() const;
double getNonbondedEnergy() const;
double getVdWEnergy() const;
double getESEnergy() const;
double getSolvationEnergy() const;
bool hasInitializedParameters() const;
};
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