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Go from Atomistic to UA and from UA to atomistic

Open justinGilmer opened this issue 5 years ago • 1 comments

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

justinGilmer avatar Mar 12 '19 22:03 justinGilmer

#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.

CalCraven avatar Aug 10 '22 19:08 CalCraven