To achieve such complete conformational sampling within Q/s-based strategies, we recommend carrying out the screening of the structures not solely based on energy criteria (relative population of the aggregates) but an entropy-like criteria based on the convergence of the multi-conformational contributions to the free-energy, or equivalently, the conformational entropy . Moreover, when possible, this convergence must be achieved for each isomer group. Naturally, this is associated with a significant increase in computational time, particularly for non-covalent complexes, where large basis sets or the counterpoise correction are required to mitigate basis set superposition error.