TABLE 1.

Computation time and processor utilization of the simulations

Simulation	No. Atoms	Simulation time	Computation time (hours)	No. CPUs
Implicit-WholeNCP-DNA	25,086	1 ns	720	16
Explicit-WholeNCP-DNA	223,132	500 ps	70	16
Implicit-NCP-DNA	9346	1 ns	122	32
Implicit-Free-DNA	9346	5 ns	115	128
Explicit-Free-DNA	111,629	500 ps	35	16
Explicit-DNA decamer	10,277	10 ns	56	16
Implicit-DNA decamer	632	10 ns	49	8