Coarse Grain of a Calcium Binding Protein

From: Nisler, Collin R. (
Date: Wed Aug 09 2017 - 10:31:24 CDT

Hello, I am trying to run a residue based coarse grain simulation of a protein that binds calcium ions. The tutorial provides .cgc files that are required to convert the all atom protein or lipids to CG, but using just these files the calcium ions are not included in the process of coarse graining. Are there ion cgc files that I can use to include the calciums, or is there any way I can include the calciums in the coarse grain system? Thanks very much.

Collin Nisler

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