Table 2.
Box size and grid spacing dependence of Kirkwood G’s for TIP3P water using the exact method for Coulomb interactions and the HNC closure. All distance units are Angstroms.
Box dimension | Δr | |||
---|---|---|---|---|
0.10 | 0.20 | 0.40 | 0.80 | |
3843 | −37.87 | ⋯ | ⋯ | ⋯ |
2563 | −37.93 | ⋯ | ⋯ | ⋯ |
1923 | −38.57 | −37.88 | ⋯ | ⋯ |
1283 | −40.58 | −37.95 | ⋯ | ⋯ |
963 | −32.46 | −38.52 | −37.87 | ⋯ |
643 | ⋯ | −40.34 | −37.95 | ⋯ |
483 | ⋯ | −33.29 | −38.38 | −37.86 |
323 | ⋯ | −47.01 | −39.80 | −37.98 |
243 | ⋯ | ⋯ | −35.01 | −38.09 |
163 | ⋯ | ⋯ | −39.16 | −38.61 |