--- branches/development/src/nonbonded/LJ.cpp 2011/06/16 22:00:08 1583 +++ branches/development/src/nonbonded/LJ.cpp 2011/09/14 21:15:17 1629 @@ -242,7 +242,7 @@ namespace OpenMD { void LJ::calcForce(InteractionData &idat) { if (!initialized_) initialize(); - + map, LJInteractionData>::iterator it; it = MixingMap.find( idat.atypes ); @@ -284,7 +284,7 @@ namespace OpenMD { myDerivC)*sigmai; (*(idat.pot))[VANDERWAALS_FAMILY] += *(idat.sw) * pot_temp; - *(idat.f1) = *(idat.d) * dudr / *(idat.rij); + *(idat.f1) += *(idat.d) * dudr / *(idat.rij); } return; }