query on MM Radii

[tarak karmakar]

Dear All,
I am running a QM/MM simulation with my protein-ligand complex. I have a
query on the MM Radii parameters that are being used in the calculation.

In several example, I notice people are using different parameters (deviate
a little though). An old discussion on the MM Radii is in the following
link,
https://groups.google.com/forum/#!searchin/cp2k/MM$20radii/cp2k/XttA_KUVLpk/jeh_-m0AlY0J

Lately, I came across a paper [
http://pubs.rsc.org/en/Content/ArticleLanding/2008/DT/b801115j#!divAbstract]
with the revised covalent radii. Are the parameters present in this paper
good enough to be used in my QM/MM simulations?

[image: Inline image 1]


Thanks,
Tarak
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