| 800 |
|
were performed at the average densities observed in the 1 atm NPT |
| 801 |
|
simulations for the respective models. SSD/E is slightly more mobile |
| 802 |
|
than experiment at all of the temperatures, but it is closer to |
| 803 |
< |
experiment at biologically relavent temperatures than SSD1 without a |
| 803 |
> |
experiment at biologically relevant temperatures than SSD1 without a |
| 804 |
|
long-range correction.} |
| 805 |
|
\label{ssdediffuse} |
| 806 |
|
\end{center} |
| 825 |
|
the diffusive behavior of the models. While SSD1 shows more |
| 826 |
|
experimentally accurate diffusive behavior in the high temperature |
| 827 |
|
regimes, SSD/E shows more accurate behavior in the supercooled and |
| 828 |
< |
biologically relavent temperature ranges. Thus, the changes made to |
| 828 |
> |
biologically relevant temperature ranges. Thus, the changes made to |
| 829 |
|
improve the liquid structure may have had an adverse affect on the |
| 830 |
|
density maximum, but they improve the transport behavior of SSD/E |
| 831 |
|
relative to SSD1 under the most commonly simulated conditions. |
