Table 2.
Comparison of computational cost for UNRES XI-RESPA. (UNRES MD with RESPA using Δt=0.15, Q=0.5, for 350 000 steps.)
RESPA split | Total time (s) |
---|---|
2 | 315 |
4 | 409 |
8 | 586 |
16 | 950 |
Comparison of computational cost for UNRES XI-RESPA. (UNRES MD with RESPA using Δt=0.15, Q=0.5, for 350 000 steps.)
RESPA split | Total time (s) |
---|---|
2 | 315 |
4 | 409 |
8 | 586 |
16 | 950 |