protex.testsystems.generate_single_im1h_oac_system

protex.testsystems.generate_single_im1h_oac_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: int = 10, drude_coll_freq: int = 100, dummy_atom_type: str | None = None, dummies: list[tuple[str, str]] | None = None, use_plugin: bool = True, platformname='CUDA', cuda_precision='single', ensemble='nVT')

Set up a system with 1 IM1H, 1OAC, 1IM1 and 1 HOAC.

Was for testing the deformation of the imidazole ring -> solved by adding the nonbonded exception to the updates.