[ViewVC] Diff of: OpenMD/branches/development/forceFields/DUFF2.frc

Comparing trunk/forceFields/DUFF2.frc (file contents):
Revision 523 by chrisfen, Thu May 5 14:47:35 2005 UTC vs.
Revision 524 by chrisfen, Thu May 5 15:06:04 2005 UTC

#	Line 14 \| Line 14 \| SSD_RF 18.0153
14		SSD1 18.0153
15		SSD_E 18.0153
16		SSD_RF 18.0153
17	<	SHED 18.0153
17	>	TAP 18.0153
18		O_TIP3P 15.9994
19		O_TIP4P 15.9994
20		O_TIP4P-Ew 15.9994
#	Line 59 \| Line 59 \| SSD_RF 1.7696 0.6145 1.1550
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
62	>	TAP 1.7696 0.6145 1.1550
63		HEAD 1125 1125 250
64		end DirectionalAtomTypes
65
#	Line 69 \| Line 69 \| SSD_RF 0.152 3.019
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
72	>	TAP 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 157 \| 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
160	>	TAP 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 171 \| Line 171 \| begin StickyPowerAtomTypes
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
174	>	TAP 0.07715 8.7 3.90 2.40 3.80 2.75 3.35
175		end StickyPowerAtomTypes
176
177		begin BondTypes

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