The analyses of the twenty-water case were done in four stages. In the first stage, the parent configuration generated two hundred twenty-four proto-PCMs and similar to the previous section, sort-select was necessary to limit the number of computations performed. In summary, 119 proto-PCMs were analyzed and 8 did not optimize. Five distinct families were identified as illustrated by the swarmplot (Figure ). Four PCMs did not match with any hydrogen bonding family and further analyses were not pursued on these because they were relatively higher energy than the lowest energy hydrogen bonding family. The energy ranges of the points found falling in the different hydrogen bonding families found are shown in Table .