molsysmt.form.openmm_Topology.to_openmm_Context#

molsysmt.form.openmm_Topology.to_openmm_Context(item, atom_indices='all', coordinates=None, forcefield='AMBER14', water_model=None, implicit_solvent=None, non_bonded_method='no cutoff', constraints='hbonds', switch_distance=None, dispersion_correction=False, ewald_error_tolerance=0.0005, integrator='Langevin', temperature=None, friction='1.0/picoseconds', time_step='2 femtoseconds', platform='CUDA', skip_digestion=False)[source]#