Table 2.
Cutoff | RMSrD force components (0.50 Å) | RMSrD force components (0.25 Å) |
---|---|---|
6 | 2.7×10−3 | 1.1×10−3 |
8 | 1.3×10−3 | 5.6×10−4 |
10 | 9.4×10−4 | 4.3×10−4 |
12 | 6.2×10−4 | 3.2×10−4 |
14 | 4.4×10−4 | 2.4×10−4 |
16 | 3.4×10−4 | 1.9×10−4 |
Cutoff | RMSrD force components (0.50 Å) | RMSrD force components (0.25 Å) |
---|---|---|
6 | 2.7×10−3 | 1.1×10−3 |
8 | 1.3×10−3 | 5.6×10−4 |
10 | 9.4×10−4 | 4.3×10−4 |
12 | 6.2×10−4 | 3.2×10−4 |
14 | 4.4×10−4 | 2.4×10−4 |
16 | 3.4×10−4 | 1.9×10−4 |