diff --git a/mddatasetbuilder/detect.py b/mddatasetbuilder/detect.py index 979947b..d181bd6 100644 --- a/mddatasetbuilder/detect.py +++ b/mddatasetbuilder/detect.py @@ -198,7 +198,8 @@ def _crd2bond(cls, step_atoms, readlevel): elif s2 >= atomnumber: s2 = realnumber[s2-atomnumber] if readlevel: - level = 9 if s[3] == 'ar' else int(s[3]) + level = 9 if s[3] == 'ar' else ( + 1 if s[3] == 'am' else int(s[3])) bondlevel[s1].append(level) bondlevel[s2].append(level) else: