Table 2. Comparison of run times for three simulation setups with different nonbonded force treatment: single-range scheme (SR) and twin-range scheme with constant-force application (TR CFA) using a Nosé-Hoover (NH) thermostat.

All systems were simulated for 0.4 ns on 1 CPU with 4 cores. A time step of 2 fs was used. The pairlist was generated using the standard charge-group based algorithm of the GROMOS program. The simulated system consists of 2002 chloroform and 8129 water molecules.

Force splitting	n m	n p	Run time [h]
TR CFA	5	5	6.1
SR	1	5	11.4
SR	1	20	8.8