The overall parameter (Poverall, eq. 1) accounts for both the global minimum test (PGMT) and bins test (Δabins) parameters. Poverall = PGMT + 5 Δabins (1) Theoretically, Δabins can take up a value from 0 to 1. Preliminary studies show that 98.6% of the Δabins values sampled are less From the conformational searching calculation: