simulate module#

mrdna.simulate.minimize_and_simulate_oxdna(model, output_name, directory=None, num_min_steps=500.0, num_steps=10000000.0, output_period=None, gpu=0, **oxdna_args)[source]#
mrdna.simulate.multiresolution_simulation(model, output_name, job_id=None, gpu=0, directory=None, minimization_steps=0, coarse_steps=50000000.0, fine_steps=50000000.0, minimization_output_period=100000.0, coarse_output_period=100000.0, fine_output_period=100000.0, coarse_local_twist=False, fix_linking_number=False, bond_cutoff=0, coarse_persistence_length=None, backbone_scale=1.0, oxdna_steps=None, oxdna_output_period=None, write_pqr=False, run_enrg_md=False, enrg_md_steps=1000000.0, arbd=None)[source]#