From d1f62616b12d63684d60799a3e38d6915ec6f499 Mon Sep 17 00:00:00 2001
From: Adrian Kummerlaender
Date: Mon, 29 Mar 2021 09:19:34 +0200
Subject: Fix benzene torsion, angle strength

Remainder of testing interactions with water
---
 library.py | 48 ++++++++++++++++++++++++------------------------
 1 file changed, 24 insertions(+), 24 deletions(-)

diff --git a/library.py b/library.py
index d175610..7889320 100644
--- a/library.py
+++ b/library.py
@@ -31,33 +31,33 @@ Benzene.connections = [
     Bond(4,10, 340000, 0.108),
     Bond(5,11, 340000, 0.108),
 
-    Angle( 0,1,2, 120, 6300),
-    Angle( 1,2,3, 120, 6300),
-    Angle( 2,3,4, 120, 6300),
-    Angle( 3,4,5, 120, 6300),
-    Angle( 4,5,0, 120, 6300),
-    Angle( 5,0,1, 120, 6300),
+    Angle( 0,1,2, 120, 63),
+    Angle( 1,2,3, 120, 63),
+    Angle( 2,3,4, 120, 63),
+    Angle( 3,4,5, 120, 63),
+    Angle( 4,5,0, 120, 63),
+    Angle( 5,0,1, 120, 63),
 
-    Angle( 6,0,1, 120, 6500),
-    Angle( 7,1,2, 120, 6500),
-    Angle( 8,2,3, 120, 6500),
-    Angle( 9,3,4, 120, 6500),
-    Angle(10,4,5, 120, 6500),
-    Angle(11,5,0, 120, 6500),
+    Angle( 6,0,1, 120, 65),
+    Angle( 7,1,2, 120, 65),
+    Angle( 8,2,3, 120, 65),
+    Angle( 9,3,4, 120, 65),
+    Angle(10,4,5, 120, 65),
+    Angle(11,5,0, 120, 65),
 
-    Torsion( 0,1,2,3, 180, 5000),
-    Torsion( 1,2,3,4, 180, 5000),
-    Torsion( 2,3,4,5, 180, 5000),
-    Torsion( 3,4,5,0, 180, 5000),
-    Torsion( 4,5,0,1, 180, 5000),
-    Torsion( 5,0,1,2, 180, 5000),
+    Torsion( 0,1,2,3, 180, 50),
+    Torsion( 1,2,3,4, 180, 50),
+    Torsion( 2,3,4,5, 180, 50),
+    Torsion( 3,4,5,0, 180, 50),
+    Torsion( 4,5,0,1, 180, 50),
+    Torsion( 5,0,1,2, 180, 50),
 
-    Torsion( 6,0,1,2, 0, 5000),
-    Torsion( 7,1,2,3, 0, 5000),
-    Torsion( 8,2,3,4, 0, 5000),
-    Torsion( 9,3,4,5, 0, 5000),
-    Torsion(10,4,5,0, 0, 5000),
-    Torsion(11,5,0,1, 0, 5000),
+    Torsion( 6,0,1,2, 0, 50),
+    Torsion( 7,1,2,3, 0, 50),
+    Torsion( 8,2,3,4, 0, 50),
+    Torsion( 9,3,4,5, 0, 50),
+    Torsion(10,4,5,0, 0, 50),
+    Torsion(11,5,0,1, 0, 50),
 ]
 
 Water = Molecule()
-- 
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