| # | Line 155 | Line 155 | publication.\cite{DLM} | |
|---|---|---|
| 155 | All molecules were treated as rigid bodies, with orientational motion | |
| 156 | propagated using the symplectic DLM integration method. Details about | |
| 157 | the implementation of these techniques can be found in a recent | |
| 158 | < | publication.\cite{DLM} |
| 158 | > | publication.\cite{Dullweber1997} |
| 159 | ||
| 160 | Thermodynamic integration was utilized to calculate the free energy of | |
| 161 | several ice crystals at 200 K using the TIP3P, TIP4P, TIP5P, SPC/E, | |
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