diff --git a/src/multicolvar/CoordinationNumbers.cpp b/src/multicolvar/CoordinationNumbers.cpp index 6c17523cb888a263da6bbdf01284880234c51383..3995a6f4f020650e9d8586537b6e0af9a2acd2b9 100644 --- a/src/multicolvar/CoordinationNumbers.cpp +++ b/src/multicolvar/CoordinationNumbers.cpp @@ -170,8 +170,8 @@ double CoordinationNumbers::compute( const unsigned& tindex, AtomValuePack& myat if(r_power > 0) { d = sqrt(d2); raised = pow( d, r_power - 1 ); accumulateSymmetryFunction( 1, i, sw * raised * d, - (dfunc * d * raised + sw * r_power) * distance, - (-dfunc * d * raised - sw * r_power) * Tensor(distance, distance), + (dfunc * d * raised + sw * r_power * raised / d) * distance, + (-dfunc * d * raised - sw * r_power * raised / d) * Tensor(distance, distance), myatoms ); } else { accumulateSymmetryFunction( 1, i, sw, (dfunc)*distance, (-dfunc)*Tensor(distance,distance), myatoms );