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VsiteBondedInteraction Class Reference

Description

Data type to store information about bonded interactions for virtual sites.

Public Member Functions

 VsiteBondedInteraction (gmx::ArrayRef< const int > atomIndex, real parameterValue)
 Constructor initializes datastructure.
 
const int & ai () const
 Access the individual elements set for the vsite bonded interaction.
 
const int & aj () const
 
const int & ak () const
 
const int & al () const
 
const realparameterValue () const
 

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