[ViewVC] Diff of: group/trunk/OOPSE-2.0/forceFields/DUFF2.frc

Comparing trunk/OOPSE-2.0/forceFields/DUFF2.frc (file contents):
Revision 2226 by kdaily, Tue May 17 02:09:25 2005 UTC vs.
Revision 2229 by chrisfen, Tue May 17 22:35:01 2005 UTC

#	Line 14 \| Line 14 \| O_TIP3P 15.9994
14		SSD1 18.0153
15		SSD_E 18.0153
16		SSD_RF 18.0153
17	+	TAP 18.0153
18		O_TIP3P 15.9994
19		O_TIP4P 15.9994
20		O_TIP5P 15.9994
#	Line 55 \| Line 56 \| HEAD 1125 1125 250
56		SSD1 1.7696 0.6145 1.1550
57		SSD_E 1.7696 0.6145 1.1550
58		SSD_RF 1.7696 0.6145 1.1550
59	+	TAP 1.7696 0.6145 1.1550
60		HEAD 1125 1125 250
61		GB 86.477 86.477 0
62		end DirectionalAtomTypes
#	Line 69 \| Line 71 \| SSD_RF 0.152 3.019
71		SSD 0.152 3.051
72		SSD1 0.152 3.016
73		SSD_E 0.152 3.035
74	<	SSD_RF 0.152 3.019
74	>	SSD_RF 0.152 3.019
75	>	TAP 0.152 3.035
76		O_TIP3P 0.1521 3.15061
77		O_TIP4P 0.1550 3.15365
78		O_TIP5P 0.16 3.12
#	Line 152 \| Line 155 \| SSD1 dq 0.0 0.0 0.0 2.35 -1.682
155		SSD_RF dq 0.0 0.0 0.0 2.48 -1.682 1.762 -0.08
156		SSD dq 0.0 0.0 0.0 2.35 -1.682 1.762 -0.08
157		SSD1 dq 0.0 0.0 0.0 2.35 -1.682 1.762 -0.08
158	+	TAP dq 0.0 0.0 0.0 2.42 -1.682 1.762 -0.08
159		//HDP s 0.0 0.0 0.0 20.6 4.63
160		end MultipoleAtomTypes
161
#	Line 163 \| Line 167 \| end StickyAtomTypes
167		SSD1 0.07715 3.6613 3.6613 2.75 3.35 2.75 4.0
168		end StickyAtomTypes
169
170	+	begin StickyPowerAtomTypes
171	+	//name w0 v0 (kcal/mol) v0p rl (Ang) ru rlp rup
172	+	TAP 0.075 7.5 0.0 2.75 3.75 2.75 3.25
173	+	end StickyPowerAtomTypes
174
175		begin BondTypes
176

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