Energies were minimized using the steepest descent algorithm. The system was heated to 300 K over 100 ps using velocity rescaling. This was followed by 100 ps NPT production at 300 K and 1 atm, using a Parinello-Rahman barostat. For each system, 8 replicas of 1.5 µs long MD simulations were carried out, for a total of 12 µs for each of the 16 systems, and 192 µs total simulation time over all systems. The convergence of the simulations can be seen in Figures S1.