MTK++ Latest version: 0.2.0

Public Attributes
MTKpp::torsionParam Struct Reference

#include <mtkpp/src/Molecule/parameters.h>

List of all members.

Public Attributes

std::string atomType1
 Atom Type of atom 1.
std::string atomType2
 Atom Type of atom 2.
std::string atomType3
 Atom Type of atom 3.
std::string atomType4
 Atom Type of atom 4.
double Nt
 The periodicity of the torsion.
double Vn
 Magnitude of torsion in kcal/mol.
double gamma
 Phase offset in deg.
int npth
 No. of bond paths.
std::string groupName
 group name

Member Data Documentation


The documentation for this struct was generated from the following file:

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