Agreed--the philosophy behind ff15ipq was a comprehensive parameter
development, which is extensible but mixing and matching of components that
are bonded to one another was not in the design. There was some interest
in making phosphate parameters for ff15ipq, but I am not the one pursuing
it. In any case, I think the Simmerling group has been working pretty hard
on the ff99-14SB OPO3 problem these past few years, so if you keep them in
the loop as your project develops they may have useful insights.
Dave
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Received on Thu Aug 25 2016 - 07:30:03 PDT
