--- trunk/src/nonbonded/Electrostatic.cpp 2013/06/19 17:19:07 1893 +++ trunk/src/nonbonded/Electrostatic.cpp 2013/06/21 23:21:58 1894 @@ -398,7 +398,7 @@ namespace OpenMD { v11 = g - gc - rmRc*hc; v21 = g*ri - gc*ric - rmRc*(hc - gc*ric)*ric; v22 = h - g*ri - (hc - gc*ric) - rmRc*(sc - (hc - gc*ric)*ric); - v31 = (h-g*ri)*ri - (hc-g*ric)*ric - rmRc*(sc-2.0*(hc-gc*ric)*ric)*ric; + v31 = (h-g*ri)*ri - (hc-gc*ric)*ric - rmRc*(sc-2.0*(hc-gc*ric)*ric)*ric; v32 = (s - 3.0*(h-g*ri)*ri) - (sc - 3.0*(hc-gc*ric)*ric) - rmRc*(tc - 3.0*(sc-2.0*(hc-gc*ric)*ric)*ric); v41 = (h - g*ri)*ri2 - (hc - gc*ric)*ric2 @@ -455,7 +455,7 @@ namespace OpenMD { v11 = g - gc; v21 = g*ri - gc*ric; v22 = h - g*ri - (hc - gc*ric); - v31 = (h-g*ri)*ri - (hc-g*ric)*ric; + v31 = (h-g*ri)*ri - (hc-gc*ric)*ric; v32 = (s - 3.0*(h-g*ri)*ri) - (sc - 3.0*(hc-gc*ric)*ric); v41 = (h - g*ri)*ri2 - (hc - gc*ric)*ric2; v42 = (s-3.0*(h-g*ri)*ri)*ri - (sc-3.0*(hc-gc*ric)*ric)*ric; @@ -515,7 +515,7 @@ namespace OpenMD { v11 = g - gc; v21 = g*ri - gc*ric; v22 = h - g*ri - (hc - gc*ric); - v31 = (h-g*ri)*ri - (hc-g*ric)*ric; + v31 = (h-g*ri)*ri - (hc-gc*ric)*ric; v32 = (s - 3.0*(h-g*ri)*ri) - (sc - 3.0*(hc-gc*ric)*ric); v41 = (h - g*ri)*ri2 - (hc - gc*ric)*ric2; v42 = (s-3.0*(h-g*ri)*ri)*ri - (sc-3.0*(hc-gc*ric)*ric)*ric;