Thermal conductivities calculated using each force field are presented in Table . In all cases, the thermal conductivity calculated using the atomistic force fields was overestimated, with AMBER resulting in a 68% overestimation, LOPLS-AA resulting in a 63% overestimation and CHARMM-36 resulting in a 57% overestimation with respect to the experimental value of 0.14 W K -1 m -1 at room temperature and pressure. A similar overprediction has been seen in other NEMD studies where classical, atomistic force fields have been used to calculate thermal conductivity of hydrocarbons. This may be a result of thermal transport properties not being considered during the parametrisation of these force fields. It has been suggested that this over prediction may be a systematic error relating to classical force fields failing to capture quantum effects. On the other hand, the thermal conductivity calculated using the united-atom force field, TraPPE-UA, was underpredicted by 20%. This result was consistent with literature findings that suggested that united-atom force fields are capable of predicting thermal conductivity more accurately than all-atom force fields.