diff --git a/mdevaluate/pbc.py b/mdevaluate/pbc.py index b851e67..e36f48d 100644 --- a/mdevaluate/pbc.py +++ b/mdevaluate/pbc.py @@ -254,7 +254,7 @@ def pbc_points(coordinates, box, thickness=0, index=False, shear=False): box[2, 0] = box[2, 0] % box[2, 2] # Shifts the box images in the other directions if they moved more than # half the box length - if box[2, 0] > box[2, 2]: + if box[2, 0] > box[2, 2] / 2: box[2, 0] = box[2, 0] - box[2, 2] grid = np.array(