Marc Charendoff wrote:
Hello,
I am curious - is there anyway to see what assumptions were made when
parameterizing the Zn 2+ ion? Was it tetrahedrally or octahedrally coordinated?
With waters only or with imidazoles? Do the different force fields make
different assumptions? Guidance appreciated.
Without even knowing the force field to which you were referring, we
can't say anything other than to refer you to the primary literature for
that force field.
Mark
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