[gmx-developers] walls with finite thickness

hessb at mpip-mainz.mpg.de hessb at mpip-mainz.mpg.de
Tue Apr 28 11:22:41 CEST 2009


With the existing wall code it is possible to simulate any type of wall
as long as there is only a z and no x/y dependence, since you can
use user tables.

Note that there was a bug report yesterday about tabulated walls not
working in parallel. I committed a fix, or you can use mdrun -seppot.


> Hi,
> is it possible to use the existing wall code for simulating an
> impenetrable wall of finite thickness between two parts of a box?
> --
> David van der Spoel, Ph.D., Professor of Biology
> Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
> Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
> spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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