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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 3405 by chuckv, Wed Jun 4 15:26:39 2008 UTC vs.
Revision 3407 by chuckv, Thu Jun 5 15:53:59 2008 UTC

# Line 17 | Line 17 | thS            32.0655
17   CH              13.02
18   thCH3           15.04
19   thCH2           14.03
20 < thS             32.0655
20 > //thS           32.0655
21   SSD             18.0153        
22   SSD1            18.0153
23   SSD_E           18.0153
# Line 79 | Line 79 | thS             0.2504          4.45
79   C               0.101745452544  3.35
80   thCH3           0.2146          3.76
81   thCH2           0.1127          3.96
82 < thS             0.2504          4.45
82 > S             0.2504          4.45
83   end LennardJonesAtomTypes
84  
85   begin SCAtomTypes
# Line 111 | Line 111 | Au thCH3 LennardJones 0.2146 3.54
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
114 > Au thCH3 LennardJones 3.54 0.2146
115 > Au thCH2 LennardJones 3.54 0.1749
116 > Au S   LennardJones   4.45 9.180
117  
118   //Shifted Morse
119   // r0 D0 beta0

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