[AMBER] about reproduction of HIS RESP charge

From: Jocelyne Sogotongo <jocelynesogotongo.yahoo.com>
Date: Wed, 17 Oct 2012 08:23:44 -0700 (PDT)

Dear all,

I would like to create a topology for my system which has a mutant residue. Before working on mutant, I just want to reproduce RESP charge of residue which is HIS . 
How can I reproduce RESP of HIS for ff99SB?

If I can manage it I can also produce RESP of mutant residue. Is it possible to do that? or is there some bias parameter in there?

thanks in advance,

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Received on Wed Oct 17 2012 - 08:30:04 PDT
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