Second, the dihedral O 6 -C 6 -C 5 -O 5 reveals a ratio for the three gg, gt, and tg populations that do not agree with experimental data. For example, we find that β -Glc is 70(39)% gg, 28(22)% gt and 2(39)% tg in our simulations with mutual (no) polarization, compared with 31, 61 and 8% in experiments. This likely indicates that this degree of freedom equilibrates on timescales longer than is simulated here. A solution would be to separate the frames that characterize each rotamer, compute their properties independently and reweigh them according to the experimental ratio. However, we do not anticipate the different rotamers to have significantly different solution properties. Therefore, for the remainder of this paper, the data are computed from the unmodified MD trajectories.