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AMBER Archive (2009)Subject: Re: [AMBER] Heme + Fe(II) + O2 + histidine parameter
From: FyD (fyd_at_q4md-forcefieldtools.org)
Haining,
> My next question is that how should I set the VdW radii for Fe in
We set the Fe radius to 1.8 in R.E.D. for Gaussian by analogy to what
regards, Francois
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