Simulations of all 3 biopolymer systems were performed in quadruplicate to obtain statistical uncertainties and repeated with both RCT and GNN charges to assess the impacts of charge models on observables. Base structures for each biopolymer were provided by the authors of the Rukmani reference study. For each pairing of chemistry and charge model, the corresponding base structure was energy-minimized with the OpenMM implementation of the L-BFGS optimization algorithm 44 and annealed for 1 nanosecond in vacuum at 600 K in the NVT ensemble to generate diverse starting conformations. This procedure was repeated 4 times per chemistry-charge pair to generate unique starting structures for production simulations. Unique conformer replicates were each solvated with 14,061 TIP3P water using Martinez' Packmol 45 at a target density of 0.997 g/mL n a (75 × 75 × 75) Å3 periodic box, with slight expansion on equilibration. Solvated systems were each equilibrated for 50 ps in NPT the NPT ensemble at 300 K and 1 atm, then simulated for 100 ns under the NPT ensemble at 300 K and 1 atm for production. Water-soluble polymer simulation code, serialized OpenMM Systems and Topologies, simulation parameters, shell execution scripts, processed trajectory data presented in Results , and analysis scripts can all be found at https: //github.com/shirtsgroup/WaSP_simulations for reproducibility. All functionality located in this repository is underpinned by (an in-house Python polymers package) which must be installed prior to use.