protex.testsystems.generate_single_hpts_meoh_system

protex.testsystems.generate_single_hpts_meoh_system(psf_file: str | None = None, crd_file: str | None = None, restart_file: str | None = None, constraints: str | None = None, boxl: float = 22.0, para_files: list[str] | None = None, coll_freq=10, drude_coll_freq=100, dummy_atom_type='DUMH', dummies: list[tuple[str, str]] = [('IM1', 'H7'), ('OAC', 'H'), ('HPTS', 'H7'), ('MEOH', 'HO2')], use_plugin=True, ensemble='nVT')[source]: Set up a solvated and parametrized system for IM1H/OAC.