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. 2008 Jun 25;128(24):245103. doi: 10.1063/1.2943146

Figure 3.

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.