--- trunk/src/nonbonded/Morse.cpp 2014/08/14 19:04:30 2016 +++ trunk/src/nonbonded/Morse.cpp 2014/09/02 18:31:44 2017 @@ -214,10 +214,12 @@ namespace OpenMD { } } + RealType pot_temp = *(idat.vdwMult) * (myPot - myPotC); *(idat.vpair) += pot_temp; RealType dudr = *(idat.sw) * *(idat.vdwMult) * (myDeriv - myDerivC); + (*(idat.pot))[VANDERWAALS_FAMILY] += *(idat.sw) * pot_temp; *(idat.f1) = *(idat.d) * dudr / *(idat.rij);