In all simulations, we have used ν = 1 and µ = 2, as is common for the GB potential, in line with its original parameterisation and previous parameterisations of OSC systems, and and have set ε S = 1 and σ F = 1.03σ . A non-bonded interaction cutoff of 3σ S was used for all systems. In order to match exper-Table Shape anisotropy parameter κ and interaction anisotropy parameter κ for uniaxial models of some typical organic semiconductors (OSCs) and benzene based on published parameters for biaxial models. The sideside parameters used to calculate the anisotropies in each uniaxial model were obtained as the average of the sideside and endend parameters in the biaxial model, as described in the main text. were used as a starting point to define the interactions in the systems studied here. The relationship between σ F and σ was taken from the published perylene model, with a similar relationship found for a range of other simple OSC systems. To obtain a simpler uniaxial representation of each molecule, for which the end-end and side-side interactions and dimensions are equivalent, the published biaxial principaldiameter and well-depth parameters for end-end and side-side interactions were averaged. This typically resulted in changes to these parameters of less than 10 and 20%, respectively, from their original published values. The resulting shape and interaction anisotropies of several small organic molecules are given in Table and inform the values of κ and κ explored.