Commit 3006dcba authored by cmaffeo2's avatar cmaffeo2
Browse files

Pass oxdna arguments during minimization

parent 7732a822
......@@ -28,13 +28,15 @@ def minimize_and_simulate_oxdna( model,
top = "{}-oxdna.top".format(output_name)
model._write_oxdna_topology(top)
min_args = {k:v for k,v in oxdna_args.items() if k != "sim_type"}
top,conf = model.simulate_oxdna(output_name = "{}-oxdna-min".format(output_name),
topology = top,
sim_type = "min",
num_steps = num_min_steps,
print_conf_interval = 100,
print_energy_every = 10,
)
**min_args)
model.simulate_oxdna(output_name = "{}-oxdna".format(output_name),
topology = top,
......
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