> Set the charge to +2, the name and type to ZN.
> Create an frcmod file with the contents:
>
> Zinc 2+ Params
> MASS
> Zn 65.38
> ...
> NONB
> Zn 1.85 0.06
You need to be consistent with the atom name and type name. The type
name is in the frcmod above, in this case it's Zn so if you use this frcmod
use Zn as the type name when editing in leap. Whatever you choose for
the atom name when editing in leap, make sure that's what is in your
pdb file.
Bill
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Received on Wed Jan 13 2010 - 10:30:02 PST
