Adding divalent metal ions to libraries

From: Michael Cooney <>
Date: Tue 12 Sep 2000 17:31:06 -0400 (EDT)

Hello everyone,

I have a general question concerning Amber 6, namely
where to find the library of ions to which I can add
Zn2+ so that I can model zinc finger proteins. I created
Zn2+ in ions94.lib (i.e. a copy that I made and modified)
but the saveAmberParm command still gives an error saying
that the atom type "Zn" is not found, when I try to create
prmtop files for the protein with zinc. Once I get LEaP to
recognize zinc then I will address the parametrization problem.

I would be grateful for suggestions. Thanks very much.


Michael Cooney
BMB Department
The University of Georgia
Athens, GA 30602
Received on Tue Sep 12 2000 - 14:31:06 PDT
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