We sample configurations from each state by running molecular dynamics simulations with OpenMM. These simulations are performed at 298.15 K using the Langevin integrator with a 2 fs time step and a 1 ps -1 friction coefficient. We maintain a pressure of 1 atm using a Monte Carlo barostat with Monte Carlo moves attempted every 25 steps. Each state is simulated for 5000 ps, with configurations saved every 2 ps.