Despite the very good overall performance, a few mismatches persist in simulations compared to experiments: (i) the S CH magnitudes of β, g 3 , and especially g 1 carbon segments are overestimated; (ii) the sn-1 tail carbon segment 2' forks too much-as much as the sn- segment 2, but the latter is also experimentally visible; (iii) the S CH magnitude of the unsaturated sn-2 tail carbon segment 9 in POPC is underestimated. All of these three mismatches are also observed for CHARMM36.