[gmx-users] Pressure coupling and liquid crystals

André Farias de Moura moura at ufscar.br
Wed Oct 29 14:38:35 CET 2014

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

I hope it helps.



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

> 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

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