From edbfb6f9781098be8b5814373a4206920d21ef12 Mon Sep 17 00:00:00 2001 From: csbrasnett Date: Tue, 31 Oct 2023 17:22:00 +0100 Subject: [PATCH] removed brackets --- vermouth/processors/apply_rubber_band.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/vermouth/processors/apply_rubber_band.py b/vermouth/processors/apply_rubber_band.py index 4cabd0d1c..5ee6b672e 100644 --- a/vermouth/processors/apply_rubber_band.py +++ b/vermouth/processors/apply_rubber_band.py @@ -341,7 +341,7 @@ def apply_rubber_band(molecule, selector, to_key = idx_to_node[selection[to_idx]] force_constant = constants[from_idx, to_idx] length = distance_matrix[from_idx, to_idx] - if (force_constant > minimum_force): + if force_constant > minimum_force: molecule.add_interaction( type_='bonds', atoms=(from_key, to_key),