It is important to note that once an optimized configuration of an isomer is identified in the Q/s method, conformational motions around that configuration are included through the partition function, which is based on harmonic model surfaces and a quantum mechanical treatment of vibrations. For intramolecular vibrations, the entropic terms are better described by this quantum description, compared to the classical treatment of MD trajectories in the C/d approach. However, aggregate formation is primarily governed by intermolecular non-bonded interactions, which lead to loose nuclear motions that are effectively described at the classical level. For the study of non-bonded species, the C/d strategy thus emerges as a very suitable approach.