Difference for src/MoleculeQM.C from version 1.3 to 1.4

version 1.3version 1.4
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                 NAMD_die("Error processing QM information.");                 NAMD_die("Error processing QM information.");
             }             }
         }         }
     } 
          
     DebugM(3,"We found " << lssClassicResIndx << " classical solvent molecules totalling "     DebugM(3,"We found " << lssClassicResIndx << " classical solvent molecules totalling "
     << qmClassicSolv.size() << " atoms.\n" );     << qmClassicSolv.size() << " atoms.\n" );
          
      }
      
     qmNumQMAtoms = qmAtmIndxVec.size();     qmNumQMAtoms = qmAtmIndxVec.size();
          
     if (qmNumQMAtoms == 0)     if (qmNumQMAtoms == 0)
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                 iout << iINFO << "MM-QM pair: " << qmMMBond[bondCounter][0] << ":"                 iout << iINFO << "MM-QM pair: " << qmMMBond[bondCounter][0] << ":"
                 << qmMMBond[bondCounter][1]                  << qmMMBond[bondCounter][1] 
                 << " -> Distance: " << bondVal                 << " -> Value (distance or ratio): " << bondVal
                 << " (QM Group " << grpIter << " ID " << qmGrpID[grpIter] << ")"                 << " (QM Group " << grpIter << " ID " << qmGrpID[grpIter] << ")"
                 << "\n" << endi ;                 << "\n" << endi ;
                                  


Legend:
Removed in v.1.3 
changed lines
 Added in v.1.4



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