T_Molecular_potential_energy_torsion_angle_term_Ryckaert_Bellemans< ConformationType, CovalentStructure, PotentialEnergyParameters > Class Template Reference

Defines the Ryckaert_Bellemans term associated to the proper dihedral angle contribution.
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#include <Molecular_potential_energy.hpp>

Detailed Description

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

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

Values for the five coefficients are taken from Gromacs. Note that if this term is used, 1-4 LJ special interactions are excluded (i.e interactions between first and fourth particles of a proper dihedral angle).

Template Parameters

ConformationType	The type of the input geometric conformation, as defined in the package ConformationTraits
CovalentStructure	The type of the input covalent structure, as defined in the package Molecular_covalent_structure
PotentialEnergyParameters	Class defining the parameters of the associated force field as the class SBL::IO::T_Potential_energy_parameters