* ((1 / distanceNO) + (1 / distanceHC) - (1 / distanceHO) - (1 / distanceNC));
HbondEnergy = std::round(HbondEnergy * 1000) / 1000;
- std::cout.precision(5);
- std::cout << "Calculated ENERGY = " << HbondEnergy << std::endl;
+// std::cout.precision(5);
+// std::cout << "Calculated ENERGY = " << HbondEnergy << std::endl;
+
+ if ( HbondEnergy == 0){
+ std::cout << "Calculated ENERGY = " << HbondEnergy << std::endl;
+ }
if ( HbondEnergy < minEnergy ){
HbondEnergy = minEnergy;