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Documentation regarding input/output options

Open ctk3b opened this issue 7 years ago • 1 comments

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.

ctk3b avatar Mar 02 '17 20:03 ctk3b

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.

mattwthompson avatar Jan 23 '20 18:01 mattwthompson