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. |