[gmx-users] Zn parameterization

Marc Charendoff mcharend at sbcglobal.net
Thu Jul 23 03:08:37 CEST 2009


       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.

Regards, Marc
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