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

David van der Spoel spoel at xray.bmc.uu.se
Sun Jan 7 11:48:52 CET 2007

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
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No, you'll have to provide starting coordinates yourself. However once 
you have a unitcell you can multiply it using genconf.

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

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