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mbuild.Compound.energy_minimize() function fails if a GMSO formatted XML is used #1052

@bc118

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@bc118

Bug summary

mbuild.Compound.energy_minimize() function fails if a GMSO formatted XML is used.

Code to reproduce the behavior

Make the mbuild.Compound.energy_minimize() function work for the GMSO formatted XML is used, just like the Parmed XML files.

Notes:

For now, the GMSO versions should at least support the LJ (12-6) potentials.

In the future, we should support the range of GSMO-supported non-bonded and bonded potentials. @daico007 suggested we may be able do this via HOOMD.

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    2.0Additions for mBuild 2.0

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