[gmx-users] Gold layers

David van der Spoel spoel at xray.bmc.uu.se
Wed Mar 17 17:09:00 CET 2004

On Wed, 2004-03-17 at 17:00, Peter Zoon wrote:
> It depends on what kind of platform you are using and where you are, 
> if you are at a univerity there are probably already some programms 
> installed somewhere like macromodel, maestro, spartan, sybyl. Asking 
> around on what facilities are already there is the best option I 
> think.
> Then you can use the expertise which is then probably also already around.

If you know what the lattice of gold looks like you can use genconf to
generate a layer after typing in a pdb/gro file manually first.

For many case a cubic or hexagonal lattice will do. Then you have to
find appropriate Van der Waals parameters for Gold.

> Cheers
> Peter
> >Dear Peter Zoon,
> >
> >Many many thanks for a quick response.Actually I am
> >totally new to this area. I do not have any experience
> >in this regard.Still I have to all these as part of my
> >project.Would you please suggest any user friendly
> >package for this..so that I can go through the manual
> >and try to solve my proble.Is there any tutorial
> >available for this type of stuffs?
> >
> >Thanks again regards,
> >keta
> >
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David van der Spoel, PhD, Assist. 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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