[gmx-users] Smooth surface
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.
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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.
Physical Chemistry II a
University of Dortmund
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