ProtoMol - an object-oriented component based framework for Molecular Dynamics simulations.
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ProtoMol::PAR::Nbfix Struct Reference

#include <PAR.h>

List of all members.

Public Member Functions

 Nbfix ()
 Nbfix (int a_, std::string b_, std::string c, Real d, Real e, Real f, Real g)

Public Attributes

int number
std::string atom1
std::string atom2
Real a
Real b
Real a14
Real b14

Friends

Report::MyStreamer & operator<< (Report::MyStreamer &OS, const Nbfix &p)

Detailed Description

This structure holds data for atom pairs with modifiable VDW interactions. Data includes the number, two atoms, epsilon, sigma, epsilon 14, and sigma 14.

Constructor & Destructor Documentation

ProtoMol::PAR::Nbfix::Nbfix (   )  [inline]
 

ProtoMol::PAR::Nbfix::Nbfix (  int  a_,
std::string  b_,
std::string  c,
Real  d,
Real  e,
Real  f,
Real  g
)  [inline]
 

Friends And Related Function Documentation

Report::MyStreamer& operator<< (  Report::MyStreamer &  OS,
const Nbfix &  p
)  [friend]
 

Member Data Documentation

Real ProtoMol::PAR::Nbfix::a
 

epsilon

Real ProtoMol::PAR::Nbfix::a14
 

epsilon 14

std::string ProtoMol::PAR::Nbfix::atom1
 

atom 1 number

std::string ProtoMol::PAR::Nbfix::atom2
 

atom 2 number

Real ProtoMol::PAR::Nbfix::b
 

sigma

Real ProtoMol::PAR::Nbfix::b14
 

sigma 14

int ProtoMol::PAR::Nbfix::number
 

nbfi number

The documentation for this struct was generated from the following file: Last update: . GNU GENERAL PUBLIC LICENSE, copyrighted by the University of Notre Dame and the University of Bergen, Norway.