[gmx-users] Free Radicals

[David van der Spoel]

emra Heshmati wrote:
> Dear all
> I want to investigate the effects of free radicals on protein structure. 
> Is it possible?
> 
> ------------------------------------------------------------------------
please be more specific. you can not do reactions in plain gromacs, but 
you could using the QM/MM interface.

-- 
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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