How can I write parametrization file for metal ions?

26 February 2015 1 7K Report

I'm doing a research on metal binding of arsenic and amino acid. I have to do a parameterization of arsenic. What does it means by parameterization of arsenic? What should I do?

Mohamad Koohi-Moghadam

You can use the following tool. It covers 80 different metals:

http://ambermd.org/tutorials/advanced/tutorial20/mcpb.htm

http://pubs.acs.org/doi/abs/10.1021/acs.jcim.5b00674

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