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[alexxy/gromacs-dssp.git] / src / dssptools.cpp
index 1f09bfcda8b4f58e5a19ef7d1faa35b3236a1c66..d7f9f00c362e0cbf2fccd8aa6a5fde27f304090f 100644 (file)
@@ -713,9 +713,9 @@ void DsspTool::calculateHBondEnergy(ResInfo& Donor,
 
        HbondEnergy = std::round(HbondEnergy * 1000) / 1000;
 
-//       if ( HbondEnergy < minEnergy ){ // I don't think that this is correct
-//            HbondEnergy = minEnergy;
-//       }
+       if ( HbondEnergy < minEnergy ){ // I don't think that this is correct
+            HbondEnergy = minEnergy;
+       }
 
 //       std::cout << "Calculated energy = " << HbondEnergy << std::endl;
     }