In all cases, the resulting rotational distributions were histogrammed using 8 bins of 22.5 degrees; the error for each bin was determined using the standard error in the mean estimated across trials, except for the MD/NCMC T4 lysozyme/3iodotoluene simulation, in which we estimated the error by dividing up the accepted frames of the tra-jectory into 8 blocks, which maximized the standard deviation, then computing the standard error in the mean by bootstrapping over the accepted blocks.