diff --git a/src/bias/MetaD.cpp b/src/bias/MetaD.cpp index 852cf78c50cc51d6af4fb59ccc327635b8988381..6c3b87fe6cfa201cb034bf352503b33b4795e8ea 100644 --- a/src/bias/MetaD.cpp +++ b/src/bias/MetaD.cpp @@ -1542,8 +1542,8 @@ void MetaD::computeReweightingFactor() for(unsigned i=rank; i<ntotgrid; i+=stride) { t_index[0]=(i%rewf_grid_[0]); unsigned kk=i; - for(unsigned j=1; j<ncv-1; ++j) { kk=(kk-t_index[j-1])/rewf_grid_[i-1]; t_index[j]=(kk%rewf_grid_[i]); } - if( ncv>=2 ) t_index[ncv-1]=((kk-t_index[ncv-1])/rewf_grid_[ncv-2]); + for(unsigned j=1; j<ncv-1; ++j) { kk=(kk-t_index[j-1])/rewf_grid_[j-1]; t_index[j]=(kk%rewf_grid_[j]); } + if( ncv>=2 ) t_index[ncv-1]=((kk-t_index[ncv-2])/rewf_grid_[ncv-2]); for(unsigned j=0; j<ncv; ++j) vals[j]=dmin[j] + t_index[j]*grid_spacing[j];