OEFF14SBParsley¶
Attention
This is a preliminary API until Spring 2021 and may be improved based on user feedback. It is currently available in C++ and Python.
class OEFF14SBParsley : public OEFF14SBSmirnoff
The OEFF14SBSmirnoff is a generic 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 classes derive from this class:
Constructors¶
OEFF14SBSmirnoff(const OEFF14SBSmirnoffParams& params = OEFF14SBSmirnoffParams(),
const OEMolPotential::OENonBondIntcsOptions& opts = OEMolPotential::OENonBondIntcsOptions())
OEFF14SBSmirnoff(const OEFF14SBSmirnoff&)
Default and copy constructors.