363 |
|
had some defects because of the mismatching between the layer |
364 |
|
structure spacing and the shape of simulation box. This mismatching |
365 |
|
can be broken by using NPTf integrator in further simulations. The |
366 |
< |
lack of detail in. |
366 |
> |
role of terminal chain in controlling transition temperatures and |
367 |
> |
the type of mesophase formed have been studied |
368 |
> |
extensively\cite{Pelzl1999}. The lack of flexibility in our model |
369 |
> |
due to the missing terminal chains could explained the fact that we |
370 |
> |
did not find evidence of chirality. |