The disaccharide Glcα(1→1)Glcα (Figure ) that was parameterized in a fully automated manner yielded very good agreement with the all-atom reference simulation. The location of the maxima in each bonded term distribution of the coarse-grained model aligned well with the equivalent maxima obtained from the reference all-atom model. The difference in the mean of the all-atom and coarse-grained distributions spanned values from as little as 0.4% to a maximum of 3.4% for one angle distribution. Extremely small populations present in the atomistic reference for the angle distributions are lost due to the coarse-graining process, however they are neglectable in the CG framework. The use of constraints for the cycles instead of bonds effectively creates an extremely narrow distribution compared to the unconstrained equivalent atomistic bond, however the maxima of those distributions matched well and more importantly, the unconstrained bond between both monosaccharide moieties (central plot in upper row for each disaccharide distribution) has the same width as the one present in the all-atom simulation, showing excellent agreement. The dihedral distributions also matched well; however, an extremely small population is lost as the automated parameterization only checks for a normally distributed population and does not account for multimodality. Glcβ(1→1)Glcβ was also fully automatically parameterized and showed good agreement with atomistic reference data as shown in Figure .