The plots of δF (t) for the four torsions show that the four marginals in Figure converge rapidly, providing evidence of ergodicity. Figure shows that, with the exception of the 5000-point dataset, repeated analyses achieve a consistent number of 24 conformers. Figure ,e shows the evolution of ∆F and ∆d respectively, as N increases to a reference value of 50,000. Here, the differences between alanine dipeptide and sulfadiazine become apparent. The mean free energy deviation jumps from being nearly negligible to a range between 0.5 and 2 kJ mol -1 , and positional deviation increases from approximately 0.1 rad to between 0.3 and 0.4 rad. Sulfadiazine's energy deviation is still within 1 k B T, and the positional deviations still correspond to very small changes in the molecular structure. However, the abrupt change following an increase in dimensionality highlights the importance of carrying out consistency checks when working with highly unintuitive results that are difficult to inspect visually. Due to the number of equivalent conformers related to one another by symmetric transformations in sulfadiazine, it is possible to compare the free energies of equivalent conformers as an assessment of the reproducibility of the free energy calculation. This is not recommended as a standard practice, as the presence of symmetrically related conformers is system-dependent and not guaranteed. However, in this case, comparing the differences between equivalent conformers reveals deviations of the same order as the mean free energy deviations calculated in the smaller datasets (Figure .