Table 1.
Lig. ID | num. walkers | run index | num. cycles | aggregated sampling (μs) |
---|---|---|---|---|
Lig1 | 48 | 0 | 2986 | 2.97 |
1 | 2751 | 2.64 | ||
2 | 2453 | 2.35 | ||
3 | 2224 | 2.13 | ||
4 | 2450 | 2.35 | ||
5 | 2470 | 2.37 | ||
Lig2 | 48 | 0 | 3257 | 3.13 |
1 | 3295 | 3.16 | ||
2 | 3274 | 3.14 | ||
3 | 3294 | 3.16 | ||
4 | 3275 | 3.14 | ||
Lig3 | 48 | 0 | 4000 | 3.84 |
1 | 4000 | 3.84 | ||
2 | 3885 | 3.73 | ||
3 | 4000 | 3.84 | ||
4 | 4000 | 3.84 | ||
Lig4 | 48 | 0 | 4000 | 3.84 |
1 | 4000 | 3.84 | ||
2 | 3414 | 3.28 | ||
3 | 2799 | 2.69 | ||
4 | 3518 | 3.38 | ||
Lig5 | 48 | 0 | 3400 | 3.26 |
1 | 3400 | 3.26 | ||
2 | 3400 | 3.26 | ||
3 | 3400 | 3.26 | ||
4 | 3400 | 3.26 |
The aggregated sampling is summed across all trajectories in a given run.