CGenFF atom type N-

From: Francesco Pietra (chiendarret_at_gmail.com)
Date: Mon Nov 24 2014 - 02:55:04 CST

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I was unable to find a CGenFF atom type for negatively charged ring
nitrogen, such as in uric acid (which is just ionize to N-). With the atom
types I was able to find the parameterization comes out quite wrong and MD
crates impossible situations.

With antechamber there is a nitrogen dicoordinated with single bonds.

thanks for advice.

francesco pietra

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