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. 2016 Nov 22;13(1):180–190. doi: 10.1021/acs.jctc.6b00981

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