Table 4. RMS of the Dipole Vector Compared to the Reference for Water Systems, Using a Peek-Step.
| water box | S1 | S2 | S3 |
|---|---|---|---|
| TCG1(ω = 1) | 3.6 × 10–3 | 3.9 × 10–3 | 3.7 × 10–3 |
| TCG2(ω = 1) | 1.5 × 10–3 | 1.7 × 10–3 | 1.8 × 10–3 |
| TCG3(ω = 1) | 4.6 × 10–4 | 4.9 × 10–4 | 4.8 × 10–4 |
| TPCG1(P = diag)(ω = 1) | 2.2 × 10–3 | 2.6 × 10–3 | 2.7 × 10–3 |
| TPCG2 (P = diag)(ω = 1) | 4.1 × 10–4 | 5.0 × 10–4 | 5.2 × 10–4 |
| TPCG3 (P = diag)(ω = 1) | 1.3 × 10–4 | 1.5 × 10–4 | 1.6 × 10–4 |
| TPCG1 (P = diag)(ωopt) | 2.3 × 10–3 | 2.7 × 10–3 | 2.8 × 10–3 |
| TPCG2 (P = diag)(ωopt) | 3.9 × 10–4 | 4.6 × 10–4 | 4.7 × 10–4 |
| TPCG1 (P = diag)(ωfit) | 2.6 × 10–3 | 3.0 × 10–3 | 3.0 × 10–3 |
| TPCG2 (P = diag)(ωfit) | 5.3 × 10–4 | 7.0 × 10–4 | 1.0 × 10–3 |