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diff CADDSuite-1.0.1/data/OpenBabel/mmffdfsb.par @ 23:389056b8864a

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Uploaded https://github.com/downloads/CADDSuite/main/CADDSuite_1.0.1_Linux_x86-64.tar.gz
author greg
date Mon, 14 Nov 2011 17:02:30 -0500
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/CADDSuite-1.0.1/data/OpenBabel/mmffdfsb.par	Mon Nov 14 17:02:30 2011 -0500
@@ -0,0 +1,39 @@
+*
+*                Copyright (c) Merck and Co., Inc., 1994
+*                         All Rights Reserved
+*
+* MMFF Default Stretch-Bend Parameters
+*      Row in 
+*  Periodic Table         
+*   IR   JR   KR   F(I_J,K)  F(K_J,I)
+    0    1    0      0.15      0.15
+    0    1    1      0.10      0.30
+    0    1    2      0.05      0.35
+    0    1    3      0.05      0.35
+    0    1    4      0.05      0.35
+    0    2    0      0.00      0.00
+    0    2    1      0.00      0.15
+    0    2    2      0.00      0.15
+    0    2    3      0.00      0.15
+    0    2    4      0.00      0.15
+    1    1    1      0.30      0.30
+    1    1    2      0.30      0.50
+    1    1    3      0.30      0.50
+    1    1    4      0.30      0.50
+    2    1    2      0.50      0.50
+    2    1    3      0.50      0.50
+    2    1    4      0.50      0.50
+    3    1    3      0.50      0.50
+    3    1    4      0.50      0.50
+    4    1    4      0.50      0.50
+    1    2    1      0.30      0.30
+    1    2    2      0.25      0.25
+    1    2    3      0.25      0.25
+    1    2    4      0.25      0.25
+    2    2    2      0.25      0.25
+    2    2    3      0.25      0.25
+    2    2    4      0.25      0.25
+    3    2    3      0.25      0.25
+    3    2    4      0.25      0.25
+    4    2    4      0.25      0.25
+$