In BLUES, each iteration was composed of a NCMC move and MD steps (e.g., NCMC → MD → NCMC → MD). Since we focused NCMC moves on those two favorable states of the ethyl group, an NCMC move was only proposed if the current state fell within one of the two states. Otherwise, an additional MD steps were performed. To ensure detailed balance, the ethyl group angle was evaluated after a NCMC move was executed so that the move was rejected if the resulting state fell outside of the two favorable states.