parmed.gromacs.GromacsTopologyFile ================================== .. currentmodule:: parmed.gromacs .. autoclass:: GromacsTopologyFile .. automethod:: __init__ .. rubric:: Methods .. autosummary:: ~GromacsTopologyFile.__init__ ~GromacsTopologyFile.add_atom ~GromacsTopologyFile.add_atom_to_residue ~GromacsTopologyFile.assign_bonds ~GromacsTopologyFile.copy ~GromacsTopologyFile.createSystem ~GromacsTopologyFile.from_structure ~GromacsTopologyFile.get_box ~GromacsTopologyFile.get_coordinates ~GromacsTopologyFile.has_NBFIX ~GromacsTopologyFile.id_format ~GromacsTopologyFile.is_changed ~GromacsTopologyFile.join_dihedrals ~GromacsTopologyFile.load_dataframe ~GromacsTopologyFile.omm_add_constraints ~GromacsTopologyFile.omm_angle_force ~GromacsTopologyFile.omm_bond_force ~GromacsTopologyFile.omm_cmap_force ~GromacsTopologyFile.omm_dihedral_force ~GromacsTopologyFile.omm_gbsa_force ~GromacsTopologyFile.omm_improper_force ~GromacsTopologyFile.omm_nonbonded_force ~GromacsTopologyFile.omm_out_of_plane_bend_force ~GromacsTopologyFile.omm_pi_torsion_force ~GromacsTopologyFile.omm_rb_torsion_force ~GromacsTopologyFile.omm_set_virtual_sites ~GromacsTopologyFile.omm_stretch_bend_force ~GromacsTopologyFile.omm_torsion_torsion_force ~GromacsTopologyFile.omm_trigonal_angle_force ~GromacsTopologyFile.omm_urey_bradley_force ~GromacsTopologyFile.parametrize ~GromacsTopologyFile.prune_empty_terms ~GromacsTopologyFile.read ~GromacsTopologyFile.save ~GromacsTopologyFile.split ~GromacsTopologyFile.strip ~GromacsTopologyFile.to_dataframe ~GromacsTopologyFile.unchange ~GromacsTopologyFile.update_dihedral_exclusions ~GromacsTopologyFile.visualize ~GromacsTopologyFile.write ~GromacsTopologyFile.write_cif ~GromacsTopologyFile.write_pdb ~GromacsTopologyFile.write_psf .. rubric:: Attributes .. autosummary:: ~GromacsTopologyFile.ANGLE_FORCE_GROUP ~GromacsTopologyFile.BOND_FORCE_GROUP ~GromacsTopologyFile.CMAP_FORCE_GROUP ~GromacsTopologyFile.DIHEDRAL_FORCE_GROUP ~GromacsTopologyFile.IMPROPER_FORCE_GROUP ~GromacsTopologyFile.NONBONDED_FORCE_GROUP ~GromacsTopologyFile.OUT_OF_PLANE_BEND_FORCE_GROUP ~GromacsTopologyFile.PI_TORSION_FORCE_GROUP ~GromacsTopologyFile.RB_TORSION_FORCE_GROUP ~GromacsTopologyFile.STRETCH_BEND_FORCE_GROUP ~GromacsTopologyFile.TORSION_TORSION_FORCE_GROUP ~GromacsTopologyFile.TRIGONAL_ANGLE_FORCE_GROUP ~GromacsTopologyFile.UREY_BRADLEY_FORCE_GROUP ~GromacsTopologyFile.box ~GromacsTopologyFile.box_vectors ~GromacsTopologyFile.combining_rule ~GromacsTopologyFile.coordinates ~GromacsTopologyFile.positions ~GromacsTopologyFile.topology ~GromacsTopologyFile.velocities ~GromacsTopologyFile.view