OEMMFFSheffield

Attention

This API is currently available in C++ and Python.

class OEMMFFSheffield : public OEMolPotential::OEGenericFF2

The OEMMFFSheffield is a hybrid force field that combines the OEMMFF with the OESheffield. This force field is designed to be used exactly as that of OEMMFF or a variation of it, such as a truncated-OEMMFF, OEMMFF without electrostatics, or OEMMFF with OESheffield.

The following methods are publicly inherited from OEFunc0:
The following methods are publicly inherited from OEFunc1:
The following methods are publicly inherited from OEFunc2:
The following methods are publicly inherited from OEMolFunc:
The following methods are publicly inherited from OEForceField:
The following methods are publicly inherited from OEGenericFF2:

Constructors

OEMMFFSheffield()
OEMMFFSheffield(const OEMMFFSheffieldOptions& options)

Default and copy constructors.

The first constructor creates the force field with default options. The second constructor creates the force field with user specified options.