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Published 20 hours ago • verified publisher icon mosdef-hub

Infer extra `AtomType` attributes using `ForceField` while converting from `parmed`

Open umesh-timalsina opened this issue 3 years ago • 0 comments

While converting from parmed, it might be nice to include extra attributes for gmso.AtomType object using a forcefield reference.

Key things we are looking for are:

  1. smarts definition
  2. overrides info
  3. description if available

umesh-timalsina avatar Sep 23 '21 21:09 umesh-timalsina