--- branches/development/src/nonbonded/MAW.cpp 2010/12/29 19:59:21 1532 +++ branches/development/src/nonbonded/MAW.cpp 2011/01/05 14:49:05 1536 @@ -124,7 +124,7 @@ namespace OpenMD { } } - void MAW::calcForce(InteractionData idat) { + void MAW::calcForce(InteractionData &idat) { if (!initialized_) initialize(); @@ -220,8 +220,8 @@ namespace OpenMD { RealType Vang = ca1 * x2 / idat.r2 + cb1 * z / idat.rij + (0.8 - ca1 / 3.0); RealType pot_temp = idat.vdwMult * Vmorse * Vang; - idat.vpair += pot_temp; - idat.pot += idat.sw * pot_temp; + idat.vpair[0] += pot_temp; + idat.pot[0] += idat.sw * pot_temp; Vector3d dVmorsedr = (myDeriv - myDerivC) * Vector3d(x, y, z) / idat.rij;