In the QM/MM AIMD trajectory, we observe the formation of an axial H-bond with one of the amine groups just after 40 ps, where the amine accepts an H-bond from a methanol molecule. This QM/MM axial H-bond distance (the distance between the amine nitrogen and the hydroxyl hydrogen of methanol) is longer than the peripheral H-bonds, indicating a weaker H-bonding interaction than when the amine acts as an H-bond donor. Analysis of the QUBEKit FFMD trajectory showed no such axial H-bond formation over the course of 60 ps. Wondering if this was just a question of sampling and if we would see the formation of the axial H-bond if we ran a longer trajectory, we extended the QUBEKit trajectory to 10 ns, but found no axial H-bond formation.