Add a bond between two atoms with given indices. If bond is already present, nothing will be done.

  • i (int) – Index of first atom
  • j (int) – Index of second atom
  • molid (int) – Molecule ID to add bond to. Defaults to top molecule.
  • order (float) – Bond order. Defaults to 1.0
  • type (str) – Bond type. Can be from output of topology.bondtypes(), or can define a new bond type. Defaults to None