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

Comparing trunk/forceFields/MnM.frc (file contents):
Revision 1254 by chuckv, Fri Jun 6 15:55:54 2008 UTC vs.
Revision 1255 by chuckv, Mon Jun 9 15:10:56 2008 UTC

#	Line 204 \| Line 204 \| CH CH Harmonic 1.526 260
204		CH2 CH2 Harmonic 1.526 260
205		CH2 CH Harmonic 1.526 260
206		CH CH Harmonic 1.526 260
207	<	S CH2 Harmonic 1.526 260
207	>	S CH2 Harmonic 1.82 260
208
209		//Atom1 Atom2 Cubic b0 K3 K2 K1 K0
210		//V_Cubic = K3(b - b0)^3 + K2(b - b0)^2 + K1(b - b0) + K0
#	Line 241 \| Line 241 \| CH CH CH Harmonic 112.0 117.68
241		CH2 CH CH Harmonic 112.0 117.68
242		CH CH2 CH Harmonic 114.0 117.68
243		CH CH CH Harmonic 112.0 117.68
244	<	S CH2 CH2 Harmonic 114.0 117.68
244	>	S CH2 CH2 Harmonic 114.0 117.68
245
246
247		//UreyBradley
#	Line 293 \| Line 293 \| CH CH CH CH Cubic 3.3254 -0.4215 -1.686 1.1661
293		CH CH2 CH2 CH Cubic 5.9602 -0.2568 -3.802 2.1586
294		CH CH2 CH CH Cubic 3.3254 -0.4215 -1.686 1.1661
295		CH CH CH CH Cubic 3.3254 -0.4215 -1.686 1.1661
296	<	S CH2 CH2 CH2 Cubic 5.9602 -0.2568 -3.802 2.1586
296	>	S CH2 CH2 CH2 Cubic 5.9602 -0.2568 -3.802 2.1586
297
298		//Charmm
299		//Atom1 Atom2 Atom3 Atom4 Charmm Kchi n delta [Kchi n delta]

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