Structural Bioinformatics Library
Template C++ / Python API for developping structural bioinformatics applications.
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Defines the standard gradient associated to the Lennard Jones contribution. More...
#include <Molecular_potential_energy_gradient.hpp>
Defines the standard gradient associated to the Lennard Jones contribution.
Defines the standard gradient associated to the Lennard Jones contribution.
ConformationType | The type of the input geometric conformation, as defined in the package Molecular_conformation |
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 |