Adding ligand parameters for AMOEBA

The functionality of OpenMM will (eventually) include everything that one would need to run modern molecular simulation.
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Saurabh Belsare
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Joined: Sat Aug 14, 2010 8:43 am

Re: Adding ligand parameters for AMOEBA

Post by Saurabh Belsare » Fri Aug 19, 2016 3:42 pm

Hi Dr. Eastman,

Is there an automated code/script available somewhere, which can convert a TINKER prm file directly into an OpenMM compatible xml file, for any new parameters developed for AMOEBA?

Thanks!
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