On comparing with the available experimental data, we achieve good agreement. However, we provide statistically reliable evidence for why standard metrics such as closeness to the experimental values and comparison with them using linear regression may not be reliable, particularly when the results are based on one-off or a few simulations. Such issues are alleviated by performing ensemble simulations in order to bring the substantial aleatoric uncertainty under control. Moreover, we have pointed out that the experimental predictions of free energies also have uncertainties associated with them and the nature of their distributions is generally non-normal, making a comparison of the calculated values with them unreliable.