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Documentation regarding input/output options #81

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ctk3b opened this issue Mar 2, 2017 · 1 comment
Open

Documentation regarding input/output options #81

ctk3b opened this issue Mar 2, 2017 · 1 comment

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@ctk3b
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ctk3b commented Mar 2, 2017

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 ctk3b modified the milestone: 0.3 Mar 29, 2017
@ctk3b ctk3b self-assigned this Mar 29, 2017
@summeraz summeraz modified the milestones: 0.3, 0.5 May 30, 2018
@mattwthompson
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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.

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