[gmx-users] Pressure coupling and liquid crystals

[André Farias de Moura]

Dear Todor,

you should consider that even the simplest nematic liquid crystals are
intrinsically anisotropic, so I think it is advisable that you compare
different pressure coupling schemes before adopting one of them (I would
consider isotropic, semi-isotropic and anisotropic during this preliminary
assessment).

I hope it helps.

best,

Andre

On Wed, Oct 29, 2014 at 9:27 AM, Todor Antonijevic <t_antoni at uncg.edu>
wrote:

> Hi,
>
> I know that in the case of bilayer membranes people use semi-isotropic
> pressure coupling, but what about simulating liquid crystals other then
> bilayer membranes, say three layers of liquid crystal molecules? Should I
> use semi-isotropic pressure coupling? Is there any tutorial on this
> subject?
>
> Thanks.
>
> P.S: Where can I find Gromacs Workshop 2007?
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-- 
_____________

Prof. Dr. André Farias de Moura
Department of Chemistry
Federal University of São Carlos
São Carlos - Brazil
phone: +55-16-3351-8090