Structural Bioinformatics Library
Template C++ / Python API for developping structural bioinformatics applications.
T_Molecular_potential_energy_torsion_angle_term_periodic< ConformationType, CovalentStructure, PotentialEnergyParameters > Class Template Reference

Defines the periodic term associated to the proper dihedral angle contribution. More...

#include <Molecular_potential_energy.hpp>

Detailed Description

template<class ConformationType, class CovalentStructure, class PotentialEnergyParameters>
class SBL::CSB::T_Molecular_potential_energy_torsion_angle_term_periodic< ConformationType, CovalentStructure, PotentialEnergyParameters >

Defines the periodic term associated to the proper dihedral angle contribution.

Note that if this term is used, 1-4 LJ special interactions have to be included (i.e interactions between first and fourth particles of a proper dihedral angle).

Template Parameters
ConformationTypeThe type of the input geometric conformation, as defined in the package Molecular_conformation
CovalentStructureThe type of the input covalent structure, as defined in the package Molecular_covalent_structure
PotentialEnergyParametersClass defining the parameters of the associated force field as the class SBL::IO::T_Potential_energy_parameters