<jupyter_start><jupyter_text>let's see if we can make an SMC integrator<jupyter_code>default_functions = {'lambda_sterics_core':
                     lambda x: x,
                     'lambda_electrostatics_core':
                     lambda x: x,
                     'lambda_sterics_insert':
                     lambda x: 2.0 * x if x < 0.5 else 1.0,
                     'lambda_sterics_delete':
                     lambda x: 0.0 if x < 0.5 else 2.0 * (x - 0.5),
                     'lambda_electrostatics_insert':
                     lambda x: 0.0 if x < 0.5 else 2.0 * (x - 0.5),
                     'lambda_electrostatics_delete':
                     lambda x: 2.0 * x if x < 0.5 else 1.0,
                     'lambda_bonds':
                     lambda x: x,
                     'lambda_angles':
                     lambda x: x,
                     'lambda_torsions':
                     lambda x: x
                     }
lambda_sequence = {key: [default_functions[key](x) for x in range(500)] for key in default_functions.keys()}
endstate_cache_filename = 'tester'
num_particles=10

#determine pressure
forces = {type(force).__name__: force for force in system.getForces()}
if "MonteCarloBarostat" in list(forces.keys()):
    pressure = 1.0 * unit.atmosphere
else:
    pressure = None

print(f"pressure: {pressure}")

traj = md.Trajectory.load(endstate_cache_filename)

num_frames = traj.n_frames
pdf_state = OpenMMPDFState(system = system, alchemical_composability = alchemical_composability, pressure=pressure)

#set the pdf_state endstate parameters
pdf_state_parameters = pdf_state.get_parameters()
reset_pdf_state_parameters = {key: endstate_parameters for key in pdf_state_parameters.keys()}
pdf_state.set_parameters(reset_pdf_state_parameters)

#make a target and proposal distribution
target_factory = TargetFactory(pdf_state = pdf_state, parameter_sequence = lambda_sequence, termination_parameters = None)
integrator = OMMLI()
propagator = OMMMBIP(pdf_state, integrator)
proposal_factory = ProposalFactory(parameter_sequence = lambda_sequence, propagator=propagator)

#make a reporter
reporter = OpenMMReporter(directory_name, trajectory_prefix, md_topology = md_topology)

#make an integrator and equip a propagator
integrator = OMMLI()
propagator = OMMMBIP(pdf_state, integrator)

#make a bunch of particles
particles=[Particle(q) for q in range(num_particles)]
for q in range(10):
    particle_state = 


def SMC_3323()<jupyter_output><empty_output>
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