[gmx-users] How can I generate a FCC unit cell?

[David van der Spoel]

Eudes Fileti wrote:
> Hi gmx-users,
> I need to generate a FCC unit cell (in fact a face centered cubic lattice)
> in order to produce a nanocristal. I would like to know if is possible
> to make this using directly GROMACS. In affirmative case, as I can make it?
> Thanks in advance
> 
> _______________________________________
> Eudes Eterno Fileti
> Centro de Ciência Naturais e Humanas
> Universidade Federal do ABC
> Rua Santa Adélia, 166
> CEP 09210-170
> skype: eefileti
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the www 
> interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
No, you'll have to provide starting coordinates yourself. However once 
you have a unitcell you can multiply it using genconf.

-- 
David.
________________________________________________________________________
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://folding.bmc.uu.se
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++