Load empirical force filed like EAM in OpenMM

The functionality of OpenMM will (eventually) include everything that one would need to run modern molecular simulation.
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Yangshuai Wang
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Joined: Sat Apr 13, 2024 9:17 pm

Load empirical force filed like EAM in OpenMM

Post by Yangshuai Wang » Sat Apr 13, 2024 9:21 pm

Hi,

I wonder if there is a way to load the empirical potentials of metal systems (e.g. EAM from lammps or OpenKIM) in OpenMM?
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