 In other words, formula_21 can be solved individually for each molecule.Instead of constantly updating the vector formula_19, the iteration can be started with formula_26, resulting in simpler expressions for formula_27 and formula_28.In this case

then formula_30 is updated to

After each iteration, the unconstrained particle positions are updated using

The vector is then reset to

The above procedure is repeated until the solution of constraint equations, formula_34, converges to a prescribed tolerance of a numerical error.