Running CstFileToTheozyme for Mono-Atomic Metal

Hi everyone,

I'm running into issues making a proper .cst file for a mono-atomic metal ion. I've tried to follow Wang, et. al. 2010 Protein Science paper, but am cannot get it right. I've attached my cst and flags files.

I've also attached the error file that comes up when I attempt to run CstFileToTheozyme.

The ZN.params file has been very slightly modified to have NAME ZN2 and IO_STRING ZN2 Z.

Thanks!