[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
> 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.
> >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,
> gmx-users mailing list
> gmx-users at gromacs.org
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
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
More information about the gromacs.org_gmx-users