[gmx-users] Pressure coupling and liquid crystals

[Dr. Vitaly Chaban]

The only reason to use semi-isotropic or anisotropic pressure coupling
is your own desire to control pressure components, XX ... ZZ,
differently.

In the case of liquid crystals, I would use semi-isotropic coupling,
but rather perceiving this as a matter of my own taste.


Dr. Vitaly V. Chaban

Виталий Витальевич ЧАБАН


On Wed, Oct 29, 2014 at 12:27 PM, 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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