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

Comparing trunk/OOPSE-3.0/forceFields/DUFF2.frc (file contents):
Revision 2216 by chrisfen, Fri Apr 29 16:26:27 2005 UTC vs.
Revision 2220 by chrisfen, Thu May 5 14:47:35 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	+	SHED 18.0153
18		O_TIP3P 15.9994
19		O_TIP4P 15.9994
20		O_TIP4P-Ew 15.9994
#	Line 58 \| Line 59 \| HEAD 1125 1125 250
59		SSD1 1.7696 0.6145 1.1550
60		SSD_E 1.7696 0.6145 1.1550
61		SSD_RF 1.7696 0.6145 1.1550
62	+	SHED 1.7696 0.6145 1.1550
63		HEAD 1125 1125 250
64		end DirectionalAtomTypes
65
#	Line 67 \| Line 69 \| O_TIP3P 0.1521 3.15061
69		SSD1 0.152 3.016
70		SSD_E 0.152 3.035
71		SSD_RF 0.152 3.019
72	+	SHED 0.152 3.035
73		O_TIP3P 0.1521 3.15061
74		O_TIP4P 0.1550 3.15365
75		O_TIP4P-Ew 0.16275 3.16435
#	Line 154 \| Line 157 \| SSD1 dq 0.0 0.0 0.0 2.35 -1.682
157		SSD_RF dq 0.0 0.0 0.0 2.48 -1.682 1.762 -0.08
158		SSD dq 0.0 0.0 0.0 2.35 -1.682 1.762 -0.08
159		SSD1 dq 0.0 0.0 0.0 2.35 -1.682 1.762 -0.08
160	+	SHED dq 0.0 0.0 0.0 2.42 -1.682 1.762 -0.08
161		//HDP s 0.0 0.0 0.0 20.6 4.63
162		end MultipoleAtomTypes
163
#	Line 165 \| Line 169 \| end StickyAtomTypes
169		SSD1 0.07715 3.6613 3.6613 2.75 3.35 2.75 4.0
170		end StickyAtomTypes
171
172	+	begin StickyPowerAtomTypes
173	+	//name w0 v0 (kcal/mol) v0p rl (Ang) ru rlp rup
174	+	SHED 0.07715 8.7 3.90 2.40 3.80 2.75 3.35
175	+	end StickyPowerAtomTypes
176
177		begin BondTypes
178

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