To validate this and address the increased search complexity, cases were identified where results did not converge to well-defined clusters. We found 23 complexes where the most populous cluster contained three or fewer poses out of 20 generated/runs. This suggests that the automatic search termination criteria somehow hindered the docking performance by triggering an early energy convergence auto stopping and preventing from sampling sufficiently the ring conformational space. This convergence issue was addressed by disabling the auto stopping criteria and heuristic for limiting evaluations, and instead running a docking for 100M evaluations, which far exceeds the usual number of evaluations. Of the 23 complexes treated this way, only 3 had RMSDs values that improved to be within the success criteria, while none got worse (5ta4, 5eqi, and 1nm6; Figure and). The success rate for this subset of challenging systems increased from 17% to 29%.