diff --git a/src/kimmdy/tools.py b/src/kimmdy/tools.py index 61f57114..0ceee2bd 100644 --- a/src/kimmdy/tools.py +++ b/src/kimmdy/tools.py @@ -285,7 +285,7 @@ def entry_point_modify_top(): args.out, args.parameterize, args.removeH, - args.grofile, + args.gro, args.residuetypes, args.radicals, )