T_Molecular_potential_energy_torsion_angle_gradient_in_linear_structure< ConformationType, CovalentStructure, PotentialEnergyParameters > Class Template Reference

Defines the gradient associated to the torsion angle contribution in a linear structure. More...

#include <Molecular_potential_energy_gradient.hpp>

Detailed Description

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

Defines the gradient associated to the torsion angle contribution in a linear structure.

It uses knowledge on the secondary structure to infer this term.

Template Parameters

ConformationType	Type of the input geometric conformation as defined in the package ConformationTraits
CovalentStructure	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