molsysmt.form.file_pdb.to_openmm_Simulation

molsysmt.form.file_pdb.to_openmm_Simulation(item, atom_indices='all', structure_indices='all', forcefield=None, non_bonded_method='no_cutoff', non_bonded_cutoff='1.0 nm', constraints=None, rigid_water=True, remove_cm_motion=True, hydrogen_mass=None, switch_distance=None, flexible_constraints=False, integrator='Langevin', temperature='300.0 K', collisions_rate='1.0 1/ps', integration_timestep='2.0 fs', platform='CUDA', skip_digestion=False)