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root/group/trunk/OOPSE-4/forceFields/MnM.frc
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Comparing trunk/OOPSE-4/forceFields/MnM.frc (file contents):
Revision 3356 by chuckv, Mon Mar 3 17:14:37 2008 UTC vs.
Revision 3392 by chuckv, Wed May 14 14:31:48 2008 UTC

# Line 95 | Line 95 | begin MetalNonMetalInteractions
95   begin MetalNonMetalInteractions
96  
97   //MAW (Metal Angular Water section)
98 < // r_e, D_e beta alpha
99 < Cu   SSD_E  MAW  2.5525 1.9850 1.1680  1.1250
98 > // r_e, D_e beta ca1 cb1
99 > Cu   SSD_E  MAW  2.5525 1.9850 1.1680  1.1250 0.750000
100   //Au   SSD_E  MAW  2.8170 1.7850 1.2680  1.2500 0.2050 0.0
101 < Au   SSD_E  MAW  2.7510 2.95   1.101  0.750000
101 > //Au   SSD_E  MAW  2.7510 2.95   1.101  0.750000 0.750000
102 > //1. 1.5 2.6500001 -3.000162356E-2 1.30999744
103 > Au   SSD_E  MAW  2.65 2.45   1.5  -0.08 0.29
104  
105   //LennardJones
106   // sigma epsilon

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