| 1077 |
|
Sec.~\ref{introEquation:ResistanceTensorArbitraryOrigin}, we |
| 1078 |
|
identified the center of resistance, ${\bf r} = $(0 \AA, 0 \AA, 1.46 |
| 1079 |
|
\AA). |
| 1080 |
+ |
|
| 1081 |
|
|
| 1082 |
|
\subsection{Summary} |
| 1083 |
|
According to our simulations, the langevin dynamics is a reliable |
| 1085 |
|
translation properties. For large molecules, the rotation properties |
| 1086 |
|
are also mimiced reasonablly well. |
| 1087 |
|
|
| 1088 |
+ |
\begin{figure} |
| 1089 |
+ |
\centering |
| 1090 |
+ |
\includegraphics[width=\linewidth]{graph} |
| 1091 |
+ |
\caption[Mean squared displacements and orientational |
| 1092 |
+ |
correlation functions for each of the model rigid bodies.]{The |
| 1093 |
+ |
mean-squared displacements ($\langle r^2(t) \rangle$) and |
| 1094 |
+ |
orientational correlation functions ($C_2(t)$) for each of the model |
| 1095 |
+ |
rigid bodies studied. The circles are the results for microcanonical |
| 1096 |
+ |
simulations with explicit solvent molecules, while the other data sets |
| 1097 |
+ |
are results for Langevin dynamics using the different hydrodynamic |
| 1098 |
+ |
tensor approximations. The Perrin model for the ellipsoids is |
| 1099 |
+ |
considered the ``exact'' hydrodynamic behavior (this can also be said |
| 1100 |
+ |
for the translational motion of the dumbbell operating under the bead |
| 1101 |
+ |
model). In most cases, the various hydrodynamics models reproduce |
| 1102 |
+ |
each other quantitatively.} |
| 1103 |
+ |
\label{fig:results} |
| 1104 |
+ |
\end{figure} |
| 1105 |
+ |
|
| 1106 |
|
\begin{table*} |
| 1107 |
|
\begin{minipage}{\linewidth} |
| 1108 |
|
\begin{center} |
