diff --git a/AtomPacker/core/io/vdw/file.py b/AtomPacker/core/io/vdw/file.py index 7ec81ec..e80561a 100644 --- a/AtomPacker/core/io/vdw/file.py +++ b/AtomPacker/core/io/vdw/file.py @@ -46,5 +46,7 @@ def _lookup_radii( elif isinstance(vdw, dict): # Check if all elements are provided in vdw if not all([name in vdw for name in names]): - raise ValueError("Not all elements are provided in the `vdw` dictionary.") + raise ValueError( + f"Missing atoms in `vdw` dictionary: {set(names) - set(vdw.keys())}" + ) return numpy.vectorize(lambda x: vdw[x])(names)