In addition to chloroform, experimental NOE data in water was available for compounds E2-enant, spiramycin, rifampicin, roxithromycin, and telithromycin, as shown in the middle panel of Figure . NOE data in DMSO was available for compounds E2-enant and G16 (right panel of Figure ). Similar as before, we find that OpenFF 2 performs best on all compounds except roxithromycin, where it performs as well as XFF/DASH and GAFF 2. Figure : Performance of the four force fields at reproducing conformational ensembles in chloroform (left), water (middle), and DMSO (right). Each point represents the fraction of NOE violations over 0.05 nm with a given force field and compound. Note that the value for rifampicin with OPLS/AA in chloroform is missing as this molecule could not be parameterized. The compounds were sorted by the lowest respective value.