The non-bonded interaction cutoff was 9.0 Å and a softcore potential was used. The NPT equilibration was performed using the CPU version of pmemd from the Amber14 package. All TI simulations used the Berendsen thermostat except for the NPT equilibration step, which used a Langevin thermostat. The obtained results for all eight systems can be found in the Supplemental Information (SI).