asdsadasd
authorMax <Infinity2573@gmail.com>
Mon, 19 Sep 2022 15:39:15 +0000 (18:39 +0300)
committerMax <Infinity2573@gmail.com>
Mon, 19 Sep 2022 15:39:15 +0000 (18:39 +0300)
src/dssptools.cpp

index 6f2fd003f190fb56b5d8a32c76ffeba4eb601326..67d1b73edcba8a359c972e3f18a76a4b607a0b58 100644 (file)
@@ -686,8 +686,12 @@ void DsspTool::calculateHBondEnergy(ResInfo& Donor,
                            * ((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;