Comments (4)
See #8
Also, we should probably not impose an MDTraj requirement here, so it will have to be an openmm topology for now. It's easy enough to convert to MDTraj from OpenMM...
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Actually, I suppose we could also expose an MDTraj topology if we keep use local imports to avoid a install-time dependency.
from openmmtools.
openmm.Topology is fine. mdtraj can convert easily enough. If there is no objection I would add the topology to some of the examples that I use. We can see if that makes sense.
from openmmtools.
Let's use the OpenMM Topology for this.
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