Re: [AMBER] Using divalent ions in LEaP

From: David A Case <>
Date: Sat, 13 Feb 2021 09:10:55 -0500

On Fri, Feb 12, 2021, Sam Walsworth (Researcher) wrote:
>Warning: Unknown residue: Zn2....

I think you may be confusing atom/residue names with atom types.

For zinc2+, the (wwPDB standard) atom name is ZN and the standard residue
name is also ZN. Use those in your PDB files.

Internal to Amber, the atom *type* for this ion is Zn2+. But that's only
internal: don't try to use that in a PDB file.

...hope this helps...dac

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Received on Sat Feb 13 2021 - 06:30:03 PST
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