diff --git a/src/energy.c b/src/energy.c index dc63530..a3d1db3 100644 --- a/src/energy.c +++ b/src/energy.c @@ -145,7 +145,7 @@ lbfgsfloatval_t energy_func( #ifdef NOE if (energy_prm->nmr != NULL) { - mol_noe_calc_peaks(energy_prm->nmr->spec, energy_prm->ag, true); + mol_noe_calc_peaks(energy_prm->nmr->spec, energy_prm->ag, true, false); mol_noe_calc_energy( energy_prm->nmr->spec, energy_prm->ag->gradients,