The three files (pu_in.in, pu_data.data, pu_para.params) can be used to model a small polyurethane chain shown below. A movie of the simulation is vaialable here.
The data and parameter files were created using the Enhanced Monte Carlo Package by Pieter J. in ’t Veld. The movie was created using the Open Visualization Tool.
The Python script plot_energy.py can be used to plot the variation of energy with time (see below):
