In contrast, the GAFF putative GM is found with a 20% elitism rate (Fig. ), which highlights the fact that elitism is an essential factor in the search for GM on complicated PES, but its magnitude may be system and method dependent and remains a parameter to be assessed or adjusted in order to find an ideal exploration-exploitation tradeoff. As opposed to AMOEBA, the GAFF putative GM is very far from the DFT GM with a large (2.1 Å) backbone RMSD (Fig. ). Over 30 GA runs, the closest LM found is only located within 26 kcal/mol (!!) from the putative GM, has a 0.5(1.5) Å backbone(heavy-atom) RMSD and does not relax to the DFT GM (Fig. ). In order to assess if this poor performance originates from the limitation of the GA search or the quality of the surrogate PES, we relaxed the DFT GM with the GAFF force field, and obtained a very similar structure (0.1(0.3) RMSD) located 18 kcal/mol above the GAFF putative GM. Therefore, the DFT GM is indeed a LM on the GAFF PES but does not lie in the low-energy regime which definitely renders the GAFF force field unsuitable for the GM search, in particular because several hundreds of structures were found within 18 kcal/mol (Fig. ) and, in the absence of prior knowledge, re-optimizing all would be far from tractable.