AMBER Archive (2008)

Subject: AMBER: Ca ions not recognized

From: Cristina Sisu (
Date: Tue Sep 30 2008 - 09:00:24 CDT

Hi all,

I have a problem with the calcium ions. I've looked already in the amber
archives but nothing that I try seems to work. I am working on
calmodulin and in the PDB file I have some calcium ions. When I try to
edit my file with leap, it does not recognize them. I changed them from
CA to C0, but still no improvement. I looked in the param99.dat library
and I found C0 for calcium, but I did not find any remark for it in
ions94.lib. What can I do next?

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