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Calculated degree of polyA DNA charge neutralization by sodium ions. Units are %, statistical error is 4%. In SPC/E+J/C, the neutralization is noticeably higher than in the other solvents. All four solvent models are qualitatively consistent with Manning’s prediction,26 but neither model matches it quantitatively at 0.15 M bulk salt concentration.
| Solvent model | Bulk salt concentration (M) | |
|---|---|---|
| 0.5 | ||
| SPC/E+J/C | 86 | |
| TIP3P+J/C | 77 | |
| OPC+J/C | 79 | |
| OPC+L/M HFE | 75 | |
| Manning’s prediction | 76 | |
