[ViewVC] Diff of: group/trunk/OOPSE-3.0/forceFields/DUFF2.frc

Comparing trunk/OOPSE-3.0/forceFields/DUFF2.frc (file contents):
Revision 2787 by gezelter, Mon Jun 5 18:24:45 2006 UTC vs.
Revision 2802 by gezelter, Tue Jun 6 17:43:28 2006 UTC

#	Line 60 \| Line 60 \| Br 79.904
60		Cl- 35.4527
61		Na+ 22.98977
62		Ar 39.948
63	+	GBAr 39.948
64		Br 79.904
65		Kr 83.80
66	+	GBKr 83.80
67		U 1.00
68		GBPaper 48.0428
69		GBlinear 48.0428
#	Line 89 \| Line 91 \| PDIP 10.0 10.0 0
91		GBC6H6 88.781 88.781 177.561
92		GBCH3OH 4.056 20.258 20.999
93		GBH2O 1.777 0.581 1.196
94	+	GBAr 1.777 0.581 1.196
95	+	GBKr 1.777 0.581 1.196
96		PDIP 10.0 10.0 0
97		end DirectionalAtomTypes
98
#	Line 98 \| Line 102 \| end GayBerneAtomTypes
102		GBlinear 2.8104 9.993 0.774729 0.150814 1.0
103		GBC6H6 4.65 2.03 0.540 3.67 0.6
104		GBCH3OH 2.55 3.18 0.542 1.03 1.0
105	+	GBAr 3.41 3.41 0.2381 1.0 1.0
106	+	GBKr 3.83 3.83 0.3259 1.0 1.0
107		end GayBerneAtomTypes
108
109		begin LennardJonesAtomTypes
#	Line 211 \| Line 217 \| GBC6H6 q 0.0 0.0 0.0 4.584 4.584 -9.169
217		TAP dq 0.0 0.0 0.0 2.12 -1.682 1.762 -0.08
218		PDIP d 0.0 0.0 0.0 9.6064
219		GBH2O dq 0.0 0.0 0.0 1.772 -2.165 2.446 -0.281
220	<	GBC6H6 q 0.0 0.0 0.0 4.584 4.584 -9.169
220	>	GBC6H6 q 0.0 0.0 0.0 4.584 4.584 -9.168
221		//HDP s 0.0 0.0 0.0 20.6 4.63
222		end MultipoleAtomTypes
223

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