[gmx-users] Iron(III) Chloride in water
jsabou1 at gmail.com
Tue Oct 8 20:14:01 CEST 2013
I want to simulate Iron(III) Chloride in water (in order to test some iron
I've tried to use acpype to generate an iron ion but it errors.
So I used genion and labelled the positive ion "FE" with charge of 3.
However grompp does not recognize the atom "FE".
My question is how would I simulate this?
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