MTK++ Latest version: 0.2.0

Public Attributes
MTKpp::angleParam 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.
double keq
 Angle Force Constant.
double req
 Equilibrium Angle Size.
std::string groupName
 group name
bool optimize
 Optimize.

Member Data Documentation


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

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