  Employing a simple hydrophobic-polar heteropolymer model, we compare
thermodynamic quantities obtained from Andersen and Nose-Hoover molecular
dynamics as well as replica-exchange Monte Carlo methods. We find qualitative
correspondence in the results, but serious quantitative differences using the
Nose-Hoover chain thermostat. For analyzing the deviations, we study different
parameterizations of the Nose-Hoover chain thermostat. Autocorrelations from
molecular dynamics and Metropolis Monte Carlo runs are also investigated.
