The general workflow for setting up a custom SBM simulation with SBMOpenMM is shown in Figure (for details, see Section S-I). Detailed steps for setting a custom SBM force field are given in Section S-II.A in the Supplementary material. Also, for a description of other pre-defined models in the models class, see section S-II.B. Workflow to set up a simulation with SBMOpenMM. Only a PDB and a contact file are needed for running SBM simulations. The library contains automated methods to set up the geometric and force field parameters and generate the force objects that will act during the simulation. When all the parameters and forces are ready, SBMOpenMM generates an OpenMM system class object for running MD simulations. Most of these steps can be user-customized, including forces; however, to make a faster deployment of models, default SBMs can be called directly from the model class.