diff --git a/examples/kinetics_fad_semiclassical.py b/examples/kinetics_fad_semiclassical.py index e3ac488..46d9a78 100644 --- a/examples/kinetics_fad_semiclassical.py +++ b/examples/kinetics_fad_semiclassical.py @@ -160,11 +160,11 @@ def main(): time = np.arange(0, 10e-6, 10e-9) Bs = np.arange(0, 40, 1) - flavin = Molecule.all_nuclei("flavin_anion") - adenine = Molecule.all_nuclei("adenine_cation") + flavin = Molecule.all_nuclei("fad") + adenine = Molecule.all_nuclei("fad") sim = SemiclassicalSimulation([flavin, adenine]) - num_samples = 400 + num_samples = 40 results = semiclassical_kinetics_mary( sim, num_samples,