From: Caterina Bianchi <caterina.bianchi.ehu.es>
Date: Fri, 10 Jun 2011 12:02:24 +0200

Dear AMBER users,

I want to calculate the charges of methyl-cytosine base using the RESP
charge fitting procedure. I built my molecule (1,5-dymethylcytosine) and on
the position 1 I put the cap (another methyl group). Assuming that the
methyl-cytosine base has a charge of -0.0631 (the same as cytosine on AMBER
FF03), my cap (the methyl on position 1) must to have a charge of +0.0631 so
the whole residue will be neutral. How can I fix the charge on the
methylgroup to +0.0631 in Antechamber?


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Received on Fri Jun 10 2011 - 03:30:02 PDT
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