[gmx-users] Smooth surface

Alexei Krukau alex at heineken.chemie.uni-dortmund.de
Tue Nov 7 08:13:03 CET 2006

On Tuesday 07 November 2006 01:41, Mark Abraham wrote:
> Alexei Krukau wrote:
> > Dear Gromacs users,
> > I would like to ask, if there is a possibility to create a smooth
> > (unstructured) hydrophobic or hydrophilic wall in Gromacs?
> I think not, but it is hard for me to guess what you are trying to do.
> If you explain more clearly, other people may be better able to help you.
> Mark
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I would like to make a slit-like smooth pore, to calculate adsorption of some 
small peptides from liquid water on the pore walls. Hydrophilicity or 
hydrophobicity of the walls should be tunable. 
Alex Krukau
Physical Chemistry II a
University of Dortmund

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