Figure 3.
The relative energy errors, as a function of the number of steps, from the MD simulations of the Lennard-Jones fluid using step size (a) Δt*=0.003 and (b) Δt*=0.006 for two versions of Nosé–Poincaré (NP01, dotted line, and NP99, thick solid line) and Nosé–Hoover (NH96, thin solid line) thermostats. The relative energy error is in a logarithmic scale.