protex.testsystems.generate_im1h_buta_system

protex.testsystems.generate_im1h_buta_system(psf_file: str = None, crd_file: str = None, restart_file: str = None, constraints: str = None, boxl: float = 50.0, para_files: list[str] = None, coll_freq=10, drude_coll_freq=100, dummy_atom_type: str = 'DUMH', dummies: list[tuple[str, str]] = [('IM1', 'H7'), ('PROA', 'H8', 'H9')], integrator_name: str = 'DNH', ensemble='nVT')[source]: Set up a solvated and parametrized system for IM1H/BUTA.