[gmx-users] Benzene and normal modes

[David van der Spoel]

Eudes Fileti wrote:
> Dear GMX users
> I think that this question already is old but
> Could anyone tell me as I could simulate a
> benzene molecule fixed by its center (at the
> center of the box) but with its vibration normal
> modes free?

This is the same as preventing center of mass motion.

However, we could do with some more position restraint options.

> 
> ______________________________________
>                                       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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-- 
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
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