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Can we use espaloma-0.2.2 in perses neq calculations?

Open SZhang66 opened this issue 2 years ago • 0 comments

Hi, I saw an example of the espaloma-0.2.2 force field used in perses repex simulations, but no one used for nonequilibrium simulations. Now can we use it in the perses neq simulation?

Thanks!!

SZhang66 avatar Nov 18 '22 20:11 SZhang66