--- trunk/src/nonbonded/Electrostatic.cpp 2013/08/23 15:59:23 1933 +++ trunk/src/nonbonded/Electrostatic.cpp 2013/08/26 14:15:09 1934 @@ -1440,7 +1440,7 @@ namespace OpenMD { Q = atom->getQuadrupole() * mPoleConverter; Qk = Q * kVec; qk = dot(kVec, Qk); - qxk[i] = cross(kVec, Qk); + qxk[i] = -cross(kVec, Qk); qkc[i] = qk * ckr[i]; qks[i] = qk * skr[i]; }