and hence r c ≈ 0.564 nm. Note that with Eq. ( ) we can convert a bead density in DPD for a range of small molecules. The cut-off distance for the dissipative and random forces required in the DPD method was assigned equal to the maximum cut-off distance in the system (i. e. supremum ({R ij }) = 1.0740) and the dissipative friction amplitude was set at 4.5.