[gmx-users] question

Catarina A. Carvalheda dos Santos c.a.c.dossantos at dundee.ac.uk
Tue Nov 22 20:10:08 CET 2016

Hi Álvaro,

What does "it gets water" mean? During the simulation?
If yes, check some membrane properties (e.g. area per lipid mainly,
thickness, etc...) and compare with previously reported (experimental and
computational) values.

That's not supposed to happen in equilibrated membrane bilayers.

Good luck,

On 22 November 2016 at 19:01, ÁLVARO RODRIGO RUIZ FERNÁNDEZ <
arruiz at ug.uchile.cl> wrote:

> Dear gromacs users:
> I need to build a phospholipid bilayer, but for some reason it gets water,
> I
> think the problem could be solved with the construction of a  plane that
> prevents the passage of water molecules. In short, can GROMACS generate a
> plane that prevents the passage of one type of molecules?.
> Thank you very much.
> --
> *Álvaro Rodrigo Ruiz Fernández Laboratorio Fisicoquimica
> MolecularDepartamento de QuímicaFacultad de CienciasUniversidad de
> Chile*Mobile:
> +56-9-75643659
> Office: +56-2-9787443
> arruiz at ug.uchile.cl
> --
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Catarina A. Carvalheda

PhD Student
Computational Biology Division
University of Dundee
DD1 5EH, Dundee, Scotland, UK

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