Table 7. RMS of the Dipole Vector Compared to the Reference for Protein Droplets and Ionic Liquids.
water box | ncp7 | ubiquitin | dhfr | [dmim+][Cl-] |
---|---|---|---|---|
ExPT | 8.1 × 10–2 | 5.2 × 10–2 | 5.4 × 10–2 | 1.3 × 10–1 |
TCG1 | 8.9 × 10–3 | 8.8 × 10–3 | 8.8 × 10–3 | 1.1 × 10–2 |
TCG2 | 3.5 × 10–3 | 3.2 × 10–3 | 3.2 × 10–3 | 7.2 × 10–3 |
TCG3 | 2.1 × 10–3 | 1.7 × 10–3 | 1.7 × 10–3 | 5.3 × 10–3 |
TPCG1 (P = diag) | 8.6 × 10–3 | 8.0 × 10–3 | 8.1 × 10–3 | 6.9 × 10–3 |
TPCG2 (P = diag) | 2.5 × 10–3 | 2.0 × 10–3 | 2.2 × 10–3 | 3.4 × 10–3 |
TPCG3 (P = diag) | 7.1 × 10–4 | 6.5 × 10–4 | 7.2 × 10–4 | 7.9 × 10–4 |
TPCG1 (P = Skeel) | 5.5 × 10–3 | 4.4 × 10–3 | 4.5 × 10–3 | 5.6 × 10–3 |
TPCG2 (P = Skeel) | 9.0 × 10–4 | 7.7 × 10–4 | 7.8 × 10–4 | 1.5 × 10–3 |
TPCG3 (P = Skeel) | 2.1 × 10–4 | 1.8 × 10–4 | 1.9 × 10–4 | 3.2 × 10–4 |