| 43 |
|
torques\cite{Mielke2004}. Membrane fusion is another key biological |
| 44 |
|
process which controls a variety of physiological functions, such as |
| 45 |
|
release of neurotransmitters \textit{etc}. A typical fusion event |
| 46 |
< |
happens on the time scale of millisecond, which is impractical to |
| 46 |
> |
happens on the time scale of a millisecond, which is impractical to |
| 47 |
|
study using atomistic models with newtonian mechanics. With the help |
| 48 |
|
of coarse-grained rigid body model and stochastic dynamics, the |
| 49 |
|
fusion pathways were explored by many |
| 528 |
|
\end{center} |
| 529 |
|
\end{table} |
| 530 |
|
|
| 531 |
< |
Another set of calculation were performed to study the efficiency of |
| 531 |
> |
Another set of calculations were performed to study the efficiency of |
| 532 |
|
temperature control using different temperature coupling schemes. |
| 533 |
|
The starting configuration is cooled to 173~K and evolved using NVE, |
| 534 |
|
NVT, and Langevin dynamic with time step of 2 fs. |
| 538 |
|
Nos\'e-Hoover temperature scaling scheme with thermostat of 5 ps |
| 539 |
|
which gives reasonable tight coupling, while the blue one from |
| 540 |
|
Langevin dynamics with viscosity of 0.1 poise demonstrates a faster |
| 541 |
< |
scaling to the desire temperature. In extremely lower friction |
| 542 |
< |
regime (when $ \eta \approx 0$), Langevin dynamics becomes normal |
| 541 |
> |
scaling to the desire temperature. When $ \eta = 0$, Langevin dynamics becomes normal |
| 542 |
|
NVE (see orange curve in Fig.~\ref{langevin:temperature}) which |
| 543 |
|
loses the temperature control ability. |
| 544 |
|
|
| 564 |
|
made of 2266 small identical beads with size of 0.3 \AA on the |
| 565 |
|
surface. Applying the procedure described in |
| 566 |
|
Sec.~\ref{introEquation:ResistanceTensorArbitraryOrigin}, we |
| 567 |
< |
identified the center of resistance at $(0 \AA, 0.7482 \AA, |
| 568 |
< |
-0.1988 \AA)$, as well as the resistance tensor, |
| 567 |
> |
identified the center of resistance at (0 $\rm{\AA}$, 0.7482 $\rm{\AA}$, |
| 568 |
> |
-0.1988 $\rm{\AA}$), as well as the resistance tensor, |
| 569 |
|
\[ |
| 570 |
|
\left( {\begin{array}{*{20}c} |
| 571 |
|
0.9261 & 0 & 0&0&0.08585&0.2057\\ |
