TABLE 1.
Computational time for equilibration of poly (dT) molecules of various lengths. Simulations were performed using a single core Intel(R) Core(TM) i5-4300U CPU @ 1.90GHz.
Strand length | Total runtime (MD) in seconds | Total runtime (VMMC) in seconds | Equilibration time as a fraction of total runtime (MD) | Equilibration time as a fraction of total runtime (VMMC) |
---|---|---|---|---|
20 | 409.67 | 14.804 | 0.0118 | 0.0244 |
100 | 1804.18 | 147.57 | 0.0128 | 0.0287 |
1,000 | 32493.0 | 4187.03 | 0.0134 | 0.0299 |