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<DIV>So sorry! You're absolutely right. Re the question on Zn 2+ I am asking about the ffgmx forcefield. </DIV>
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<DIV>Marc Charendoff wrote:<BR>> Hello,<BR>> <BR>> 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.<BR><BR>Without even knowing the force field to which you were referring, we <BR>can't say anything other than to refer you to the primary literature for <BR>that force field.<BR><BR>Mark<BR><BR><BR></DIV></div></body></html>