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fix: need parametrization after delete
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Eric Hartmann committed Oct 23, 2024
1 parent 9ca51e3 commit c3b5793
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions src/kimmdy/topology/topology.py
Original file line number Diff line number Diff line change
Expand Up @@ -1129,8 +1129,8 @@ def del_atom(

if parameterize:
self.update_parameters()
# Overwriting in case of no parameterization wanted
self.needs_parameterization = False
# Overwriting in case of no parameterization wanted
self.needs_parameterization = False

return update_map

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