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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
The text was updated successfully, but these errors were encountered:
#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.
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
The text was updated successfully, but these errors were encountered: