Merge pull request #17 from hits-mbm-dev/fix/grappa_compatibility

make compatible with new grappa changes
graeter-group · Apr 9, 2024 · c2b6017 · c2b6017
2 parents a851898 + 46abde8
commit c2b6017
Showing 1 changed file with 0 additions and 1 deletion.
diff --git a/src/grappa_interface.py b/src/grappa_interface.py
@@ -27,7 +27,6 @@ def __init__(
         self.kimmdy_grappa_parameterizer = KimmdyGrappaParameterizer(
             grappa_instance=grappa_instance,
             charge_model=charge_model,
-            grappa_tag=grappa_tag,
         )
 
     def parameterize_topology(