fix bug in box check

marrink-lab · Oct 19, 2023 · de9ec20 · de9ec20
1 parent cf2f3a7
commit de9ec20
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/polyply/src/gen_coords.py b/polyply/src/gen_coords.py
@@ -237,7 +237,7 @@ def gen_coords(toppath,
         grid = np.loadtxt(grid)
 
     # where to get the box size from
-    if box is not None and not np.array_equal(topology.box, box):
+    if box is not None and topology.box and not np.array_equal(topology.box, box):
         msg = ("A box is provided via the -box command line "
                "and the starting coordinates. We consider the "
                "the box of starting coordinates as correct. ")