We also examined the performance of NCMC move proposals for 3-iodotoluene as a function of the amount of relaxation, as shown in Figure . In keeping with the analysis just prior, we find that NCMC move proposals perform nearly as well for substantial rotations as for all rotations, whereas MC move proposals do not. Additionally we performed simulations analogous to Sec. 9 for 3-iodotoluene, comparing the sampling of MC to NCMC (SI Figure ) and found that NCMC was able to sample alter-nate binding modes much more consistently.