From de9ec20a4bf29a15fc17303896ecc94c1a4c1f48 Mon Sep 17 00:00:00 2001 From: Fabian Grunewald Date: Thu, 19 Oct 2023 21:09:45 +0200 Subject: [PATCH] fix bug in box check --- polyply/src/gen_coords.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/polyply/src/gen_coords.py b/polyply/src/gen_coords.py index 61fb1c15..aa785e5a 100644 --- 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. ")