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move get components functionality?

Open ijpulidos opened this issue 1 year ago • 3 comments

Currently we have the get_components functionality in the openmm_utils [sub]package. But it seems that this functionality is not really related to openmm. Rather, it is related to gufe, as far as I can tell.

I think it could be something that gufe could provide, see https://github.com/OpenFreeEnergy/gufe/issues/251

But in any case, it doesn't seem like something that should be in the openmm_utils space.

ijpulidos avatar Nov 10 '23 21:11 ijpulidos