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Go from Atomistic to UA and from UA to atomistic #506

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justinGilmer opened this issue Mar 12, 2019 · 1 comment
Open

Go from Atomistic to UA and from UA to atomistic #506

justinGilmer opened this issue Mar 12, 2019 · 1 comment

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@justinGilmer
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Describe the behavior you would like added to mBuild
Allow going between UA/TraPPE representations to Atomistic representations

Describe the solution you'd like
I would like to build up an alkane/alcohol,etc and be able to convert between an atomistic version and to a UA representation.

Would be a nice feature, but is a bit specific.

Describe alternatives you've considered
Sort of an extension of CG-AA, AA-CG

Additional context
N/A

@CalCraven
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#270 and #338 Essentially cover this issue. Combining those issues into this single one, and closing those two, which discuss both directions of this workflow.

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