--- branches/development/src/nonbonded/SC.cpp 2011/06/14 20:41:44 1582 +++ branches/development/src/nonbonded/SC.cpp 2011/06/21 06:34:35 1586 @@ -329,7 +329,7 @@ namespace OpenMD { *(sdat.frho) = u; *(sdat.dfrhodrho) = 0.5 * *(sdat.frho) / *(sdat.rho); - sdat.pot[METALLIC_FAMILY] += u; + (*(sdat.pot))[METALLIC_FAMILY] += u; *(sdat.particlePot) += u; return; @@ -379,7 +379,7 @@ namespace OpenMD { *(idat.particlePot1) -= data2.c * data2.epsilon * sqrt( *(idat.rho2) - rhtmp) + *(idat.frho2); - *(idat.particlePot1) -= data1.c * data1.epsilon * + *(idat.particlePot2) -= data1.c * data1.epsilon * sqrt( *(idat.rho1) - rhtmp) + *(idat.frho1); (*(idat.pot))[METALLIC_FAMILY] += pot_temp;