Molecular dynamics simulation of ice at constant volume

The melting of ice, as modeled by the RSL2 potential, is investigated in a series of molecular dynamics simulations at constant volume. According to the behaviors of the total energy and structure factor with temperature, melting of the model system occurs between 260 and 330 K. Estimates of the constant volume specific heats are made which indicate that the molecules ought to be treated as rigid bodies. The necessity of running these simulations for many picoseconds, rather than only two or three, is illustrated.