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

Comparing trunk/OOPSE-3.0/forceFields/DUFF2.frc (file contents):
Revision 2383 by gezelter, Tue Oct 18 21:13:21 2005 UTC vs.
Revision 2585 by chrisfen, Wed Feb 8 18:21:40 2006 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	>	DPD 72.06112
64		end AtomTypes
65
66		begin DirectionalAtomTypes
#	Line 71 \| Line 75 \| end DirectionalAtomTypes
75		HEAD 1125 1125 250
76		GBPaper 86.477 86.477 0
77		linear 86.477 86.477 0
78	+	PDIP 10.0 10.0 0
79		end DirectionalAtomTypes
80
81		begin GayBerneAtomTypes
#	Line 120 \| Line 125 \| end LennardJonesAtomTypes
125		Br 0.511111921764 3.54
126		Kr 0.32590340268 3.83
127		U 1.0 1.0
128	+	Pchg+ 0.1 3.0
129	+	Pchg- 0.1 3.0
130	+	PDIP 0.15 5.0
131	+	DPD 1.194 4.70
132		end LennardJonesAtomTypes
133
134		begin ChargeAtomTypes
#	Line 139 \| Line 148 \| end ChargeAtomTypes
148		Cl -1.0
149		Cl- -1.0
150		Na+ 1.0
151	+	Pchg+ 0.5
152	+	Pchg- -1.0
153		end ChargeAtomTypes
154
155		begin MultipoleAtomTypes
#	Line 180 \| Line 191 \| TAP dq 0.0 0.0 0.0 2.12 -1.682 1.7
191		SSD dq 0.0 0.0 0.0 2.35 -1.682 1.762 -0.08
192		SSD1 dq 0.0 0.0 0.0 2.35 -1.682 1.762 -0.08
193		TAP dq 0.0 0.0 0.0 2.12 -1.682 1.762 -0.08
194	+	PDIP d 0.0 0.0 0.0 9.6064
195		//HDP s 0.0 0.0 0.0 20.6 4.63
196		end MultipoleAtomTypes
197

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