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The maximum absolute energy errors as a function of the step size from the UNRES MD simulations with RESPA of 20-residue polyglycine starting from the pre-equilibrated low-energy helical structure for two versions of Nosé–Poincaré (NP01 and NP99) and Nosé-Hoover (NH96) thermostats and microcanonical (NVE). All parameters are the same as in Fig. 6.
