[gmx-users] potential across surface

David van der Spoel spoel at xray.bmc.uu.se
Fri Aug 6 10:56:24 CEST 2004

On Thu, 5 Aug 2004, Andre Farias de Moura wrote:

>hi david,
>I've checked both and don't think this is the problem,
>the density profile shows an interfacial region less
>than 0.5 nm thick and there is no overall movement.
>my simulation system contains a 6.0 nm water slab in a
>50 nm box (z direction), I'm sending you my potential
>files to clarify what I mean. I got these files using:
>g_potential -f water.xtc -s water.tpr -n index.ndx -sl 50
What's in your index file?

David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel

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