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root/OpenMD/branches/development/forceFields/MnM.frc
(Generate patch)

Comparing trunk/forceFields/MnM.frc (file contents):
Revision 1245 by chuckv, Tue May 27 16:39:06 2008 UTC vs.
Revision 1250 by chuckv, Wed Jun 4 15:26:39 2008 UTC

# Line 14 | Line 14 | CH2            14.03          
14   CH4             16.05          
15   CH3             15.04          
16   CH2             14.03          
17 < CH              13.02  
17 > CH              13.02
18 > thCH3           15.04
19 > thCH2           14.03
20 > thS             32.0655
21   SSD             18.0153        
22   SSD1            18.0153
23   SSD_E           18.0153
# Line 74 | Line 77 | C              0.101745452544  3.35
77   CH2             0.0866          3.95
78   CH              0.0189          4.68
79   C               0.101745452544  3.35
80 + thCH3           0.2146          3.76
81 + thCH2           0.1127          3.96
82 + thS             0.2504          4.45
83   end LennardJonesAtomTypes
84  
85   begin SCAtomTypes
# Line 105 | Line 111 | Au   SSD_E  MAW  2.68 0.6   1.33  0.95 -0.25
111  
112   //LennardJones
113   // sigma epsilon
114 + Au thCH3 LennardJones 0.2146 3.54
115 + Au thCH2 LennardJones 0.1749 3.54
116 + Au thS   LennardJones 9.180  4.45
117  
109 –
118   //Shifted Morse
119   // r0 D0 beta0
120   Au      O_SPCE  ShiftedMorse    3.70 0.0424 0.769

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