Since nonbonded energy calculations for CBMC trials are already rough and don't need to be precise (since they are used only for biasing), they could be more quickly estimated from a table of precalculated intermolecular atom pair energies as a discretized function of the square of atomic separation.
Since nonbonded energy calculations for CBMC trials are already rough and don't need to be precise (since they are used only for biasing), they could be more quickly estimated from a table of precalculated intermolecular atom pair energies as a discretized function of the square of atomic separation.