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