From b4364282607fd2dbc27584da463b6b86c6f3bdb0 Mon Sep 17 00:00:00 2001
From: q00596439 <qianjiahong@huawei.com>
Date: Thu, 23 Sep 2021 15:24:12 +0800
Subject: [PATCH] fix simple constrain

---
 MindSPONGE/mindsponge/md/potential/simple_constrain.py | 1 +
 1 file changed, 1 insertion(+)

diff --git a/MindSPONGE/mindsponge/md/potential/simple_constrain.py b/MindSPONGE/mindsponge/md/potential/simple_constrain.py
index 721638c1a..984b6e6c9 100644
--- a/MindSPONGE/mindsponge/md/potential/simple_constrain.py
+++ b/MindSPONGE/mindsponge/md/potential/simple_constrain.py
@@ -135,6 +135,7 @@ class SimpleConstarin:
 
         self.h_angle_pair = []
         s = 0
+        angle_numbers = 0
         for i in range(angle_numbers):
             mass_a = atom_mass[atom_a[i]]
             mass_c = atom_mass[atom_c[i]]
-- 
Gitee