To show that no reaction can occur. You shoot the atoms together and watch what happens.
The A-B potential is assumed to be a morse potential with a well depth of 10 kcal/mole and a range parameter of 1.5 angstroms. The incident energy is fixed at 0.5 kcal/mole. When I teach my course, I use this example to show that if you just shoot two atoms together then can never react.
For further information about applications of this program please look in Chapter 9 of R. I. Masel, Principles of Adsorption and Reaction on Solid Surfaces, Wiley 1996 or Chapter 8 of R. I. Masel, Kinetics and Catalysis, Wiley 2000