However, this increase in acceptance rate is deceptive since more NCMC switching steps require more computation. If instead we compare moves accepted per million force evaluations, we see it initially increasing and reaching its maximum value at 3400 NCMC switching steps, after which it decreases. Thus, having more relaxation steps is not always computationally efficient. 3400 switching steps is the optimal amount of relaxation for our current test system. 4.4. Random flip moves increase efficiency of the NCMC protocol. Thus far, we have explored random torsional rotations, which may not be optimal. Particularly, our random torsion rotations can take any value between 0 • to 180 • . As a result, small rotations are often suggested and accepted, often even within the same binding mode. Not every accepted move thus results in a successful transition between the two binding modes (Figure and).