Key points are not available for this paper at this time.
Expressions are derived which relate the averages of a dynamical variable in the molecular-dynamics ensemble and in the generalized canonical ensemble. Fluctuations in the two ensembles are also related. These results make the full equilibrium theory of classical statistical mechanics accessible to evaluation by molecular-dynamics computations.
Wallace et al. (Fri,) studied this question.
Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context: