[ViewVC] Diff of: group/trunk/OOPSE-4/forceFields/DUFF2.frc

Comparing trunk/OOPSE-4/forceFields/DUFF2.frc (file contents):
Revision 2383 by gezelter, Tue Oct 18 21:13:21 2005 UTC vs.
Revision 2396 by chrisfen, Wed Oct 26 23:30:23 2005 UTC

#	Line 56 \| Line 56 \| linear 48.0428
56		Kr 83.80
57		U 1.00
58		GBPaper 48.0428
59	<	linear 48.0428
59	>	linear 48.0428
60	>	Pchg+ 5.000
61	>	Pchg- 5.000
62	>	PDIP 10.000
63		end AtomTypes
64
65		begin DirectionalAtomTypes
#	Line 71 \| Line 74 \| end DirectionalAtomTypes
74		HEAD 1125 1125 250
75		GBPaper 86.477 86.477 0
76		linear 86.477 86.477 0
77	+	PDIP 10.0 10.0 0
78		end DirectionalAtomTypes
79
80		begin GayBerneAtomTypes
#	Line 120 \| Line 124 \| end LennardJonesAtomTypes
124		Br 0.511111921764 3.54
125		Kr 0.32590340268 3.83
126		U 1.0 1.0
127	+	Pchg+ 0.1 3.0
128	+	Pchg- 0.1 3.0
129	+	PDIP 0.15 5.0
130		end LennardJonesAtomTypes
131
132		begin ChargeAtomTypes
#	Line 139 \| Line 146 \| end ChargeAtomTypes
146		Cl -1.0
147		Cl- -1.0
148		Na+ 1.0
149	+	Pchg+ 0.5
150	+	Pchg- -1.0
151		end ChargeAtomTypes
152
153		begin MultipoleAtomTypes
#	Line 180 \| Line 189 \| TAP dq 0.0 0.0 0.0 2.12 -1.682 1.7
189		SSD dq 0.0 0.0 0.0 2.35 -1.682 1.762 -0.08
190		SSD1 dq 0.0 0.0 0.0 2.35 -1.682 1.762 -0.08
191		TAP dq 0.0 0.0 0.0 2.12 -1.682 1.762 -0.08
192	+	PDIP d 0.0 0.0 0.0 9.6064
193		//HDP s 0.0 0.0 0.0 20.6 4.63
194		end MultipoleAtomTypes
195

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