Most S CH produced by OPLS3e reside within ±0.02 from the experimental values, that is, within the estimated error range of NMR experiments (Fig. ). However, problems with S CH magnitude occur in g 1 , near double bond of the sn-2 chain (C9) and at the start of sn-1 chain. For these regions the experimental error range is not reached with either of the force fields. Whereas OPLS3e and CHARMM36 produce almost identical S CH for headgroup and glycerol backbone, the performance of OPLS3e for acyl chain regions seems to surpass CHARMM36. forking for other carbons. Forking is illustrated in the Fig. by angle distributions towards membrane normal. In CHARMM36 at full hydration, angle distributions for both hydrogens attached to the α carbon are equal (Fig. ), but at 5 w/l (Fig. ) distributions are unequal showing forking.