[gmx-users] (no subject)
mcharend at sbcglobal.net
Thu Jul 23 18:32:23 CEST 2009
So sorry! You're absolutely right. Re the question on Zn 2+ I am asking about the ffgmx forcefield.
Marc Charendoff wrote:
> 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.
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