Date: Mon, 16 Sep 2024 19:01:57 +0000
Hi experts on the ZAFF research and modeling,
I am new to modeling proteins with the Zn cation and I am working on prepping the system to run a MD on it.
I have two cysteines (named them as CYM) and two histidine's (named as HE1) that chelate with the Zn2+ the NE2 chelating with the ZN. { followed this suggestion from Pengfei http://archive.ambermd.org/201407/0217.html)
I have pulled in the ZAFF ff and the associated ff19SB the ions and the solvent ff. Not sure why I am still unable to get the parameters generated, Any ideas on where I should look?
Thanks
[cid:794f9367-412a-40ab-a539-9417663b616c]
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