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root/group/trunk/OOPSE-4/forceFields/DUFF2.frc
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Comparing trunk/OOPSE-4/forceFields/DUFF2.frc (file contents):
Revision 2359 by gezelter, Wed Oct 12 21:00:11 2005 UTC vs.
Revision 2367 by kdaily, Fri Oct 14 15:44:37 2005 UTC

# Line 55 | Line 55 | GB             48.0428        
55   Br              79.904          
56   Kr              83.80
57   U               1.00
58 < GB              48.0428        
58 > GB              48.0428
59 > linear          48.0428        
60   end AtomTypes
61  
62   begin DirectionalAtomTypes
# Line 69 | Line 70 | end DirectionalAtomTypes                    
70   TAP             1.7696  0.6145  1.1550
71   HEAD            1125    1125    250
72   GB              86.477  86.477  0
73 + linear          86.477  86.477  0
74   end DirectionalAtomTypes                    
75  
76   begin GayBerneAtomTypes
77   //Name  Sigma   12b_ratio       eps     eps_ratio       mu      nu            
78   GB      3.35    2.074626866     1.31713         .178317250385   2.0     1.0
79 + linear  3.35    2.074626866     1.31713         .178317250385   2.0     1.0
80   end GayBerneAtomTypes                  
81  
82   begin LennardJonesAtomTypes

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