Quoting Joachim Reichelt <Joachim.Reichelt.helmholtz-hzi.de>:
> does anyone know how to get Fe4S4 Clusters into amber?
> antechamber does not like it:
>
[...]
> as mopac does not know anything about Fe
You might use R.E.D.
http://q4md-forcefieldtools.org/RED/
R.E.D. is fully compatible with metals.
regards, Francois
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Received on Sun Jun 01 2008 - 06:08:16 PDT
