Upon computing the percentage of frames in which contacts are formed between the ligand and each protein residue for all of our trajectories, we obtain a two-dimensional matrix containing m × n elements where m is the number of trajectories executed and n is the number of residues in the protein. An element (m, n) of the matrix therefore corresponds to the contact frequency of the ligand with residue n in trajectory m. All ligand-residue contact frequency distributions are computed from these matrices using Python. These distributions provide meaningful and easily interpretable low dimensional representations of phase space sampling.