First, we record ring puckering for a majority of the α anomers. This contrasts with the β anomers that all remain in a stable chair conformation throughout the duration of the simulation. In Figure , we show the evolution of the ring dihedral C 1 -C 2 -C 3 -C 4 for α-Glc. We see that α-Glc spends majority of the simulation in the chair conformation 1 -C 2 -C 3 -C 4 ∼ -55°) but also temporarily visits alternative ring puckered conformations. Overall, α-Glc, α-GlcN, α-GlcNAc, α-Gal, α-GalN and α-GalNAc spends 2.9, 7.4, 0.09, 0.07, 2.6 and 0.05% of the 145 ns MD trajectory, respectively, in a conformation other than chair. Although this effect has been reported before, it is non trivial to validate against experiments and it remains possible that these conformational switches are non-physical. However, we obtain similar results when using the β AMOEBA parameters to model the α anomers (Figures ), suggesting that this effect is due to the structure and not the force field parameters.