fix: use correct reference coordinate for virtual bead calc

jag1g13 · Oct 8, 2021 · a0a61f2 · a0a61f2
1 parent 15a22e8
commit a0a61f2
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/pycgtool/mapping.py b/pycgtool/mapping.py
@@ -417,7 +417,7 @@ def apply(self, frame: Frame, cg_frame: typing.Optional[Frame] = None):
                     coords = np.array(
                         [cg_res.atom(atom).coords for atom in bmap],
                         dtype=np.float32)
-                    bead.coords = calc_coords_weight(ref_coords, coords,
+                    bead.coords = calc_coords_weight(coords[0], coords,
                                                      bmap.weights,
                                                      unitcell_lengths)