Setting SWIGPy objects in VanillaMDSimulator makes it unserializable after being used once.

[hmacdope]

md_simulator = VanillaMDSimulator(
            output_dir="md",
            equilibration_steps=1,
            num_steps=1,
            reporting_interval=1)

simulation_results = md_simulator.simulate(
            results,
            use_dask=False)


simulation_results_parallel = md_simulator.simulate(
            results_par,
            dask_client=gpu_client,
            failure_mode="skip",
            use_dask=True) # will fail to serialize