Closed sef43 closed 3 months ago
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.
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.