Simulations were performed with the OpenMM MD package 42 (v8.0.0) and the OpenFF Sage 2.0.0 force field 14 with constrained hydrogens and TIP3P water parameters. Thermostatting for NVT and NPT ensemble simulations was accomplished using a Langevin middle integrator 43 with 2 fs integration timesteps (permitted by having constrained hydrogen bonds) and 1 ps -1 friction parameter, while barostatting for NPT simulations was achieved with a Monte Carlo barostat, with MC volume moves every 100 integration steps. Simulations, along with partial charge assignment, were accelerated using NVIDIA A40 GPUs on the CU Boulder Blanca condo cluster.