protex.testsystems.setup_simulation

protex.testsystems.setup_simulation(psf: CharmmPsfFile, crd: CharmmCrdFile, system: System, restart_file: str | None = None, coll_freq: int = 10, drude_coll_freq: int = 100, dummies: list[tuple[str, str]] = [('IM1', 'H7'), ('OAC', 'H')], use_plugin: bool = True, platformname: str = 'CUDA', cuda_precision: str = 'single')