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Current inputs can come from mbuild, parmed or openmm topologies + an xml file.
By default Forcefield.apply() yields a parmed structure but for users interested in running in OpenMM we can also easily break out earlier. This needs to be tidied up a bit and properly documented.
The text was updated successfully, but these errors were encountered:
We should probably add a page in the documentation that is clear about this; I believe we still only currently support those three formats, but that is likely to change in the future.
Current inputs can come from mbuild, parmed or openmm topologies + an xml file.
By default
Forcefield.apply()
yields a parmed structure but for users interested in running in OpenMM we can also easily break out earlier. This needs to be tidied up a bit and properly documented.The text was updated successfully, but these errors were encountered: