| 565 |
|
made of 2266 small identical beads with size of 0.3 \AA on the |
| 566 |
|
surface. Applying the procedure described in |
| 567 |
|
Sec.~\ref{introEquation:ResistanceTensorArbitraryOrigin}, we |
| 568 |
< |
identified the center of resistance at $(0\AA, 0.7482\AA, |
| 569 |
< |
-0.1988\AA)$, as well as the resistance tensor, |
| 568 |
> |
identified the center of resistance at $(0 \AA, 0.7482 \AA, |
| 569 |
> |
-0.1988 \AA)$, as well as the resistance tensor, |
| 570 |
|
\[ |
| 571 |
|
\left( {\begin{array}{*{20}c} |
| 572 |
|
0.9261 & 0 & 0&0&0.08585&0.2057\\ |
| 593 |
|
However, because of the stochastic nature, simulation using Langevin |
| 594 |
|
dynamics was shown to decay slightly faster than MD. In order to |
| 595 |
|
study the rotational motion of the molecules, we also calculated the |
| 596 |
< |
auto- correlation function of the principle axis of the second GB |
| 596 |
> |
auto-correlation function of the principle axis of the second GB |
| 597 |
|
particle, $u$. The discrepancy shown in Fig.~\ref{langevin:uacf} was |
| 598 |
|
probably due to the reason that the viscosity using in the |
| 599 |
|
simulations only partially preserved the dynamics of the system. |
