OEFF14SBParsley¶
Attention
This is a preliminary API and may be improved based on user feedback. It is currently available in C++ and Python.
class OEFF14SBParsley : public OEFF14SBSmirnoff
The OEFF14SBParsley
is a class for protein systems which might
contain cofactors. It assumes that the iteraction are described with OEFF14SBParsleyParams.
- 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
: - The following methods are publicly inherited from
OEFF14SBSmirnoff
Constructors¶
OEFF14SBParsley(const OEMolPotential::OENonBondIntcsOptions& opts = OEMolPotential::OENonBondIntcsOptions())
OEFF14SBParsley(const OEFF14SBParsley&)
Default and copy constructors.