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add fix to ML/MM mixed system example

Open sef43 opened this issue 1 year ago • 0 comments

There was a bugfix in openmm-ml https://github.com/openmm/openmm-ml/pull/56 that also needs to be updated in the example notebook. The example will behave correctly but only because the ML region is a contiguous set of atoms that starts from atom 0.

sef43 avatar Aug 21 '23 10:08 sef43