On Wed, Nov 29, 2017, Bill Ross wrote:
> > I want to put a small molecule (AsO3H3) into a peptide PDB file.
> Maybe you can adapt GAFF params.
GAFF only goes up to phosphorus.
Don't forget that several companies offer free services that will search
the internet to see what others have done in similar circumstances. I
used google.com, and searched on "arsenious acid force field". The
following looks like a useful starting point:
www.ncbi.nlm.nih.gov/m/pubmed/21923105/
....dac
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Received on Wed Nov 29 2017 - 05:00:02 PST
