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[alexxy/gromacs-dssp.git] / src / dssptools.cpp

diff --git a/src/dssptools.cpp b/src/dssptools.cpp
index f12a285a3eb1fbe10a1071705c6a17438fda3608..512459a0788c859b7340c167044083d1df521848 100644 (file)
--- a/src/dssptools.cpp
+++ b/src/dssptools.cpp
@@ -680,6 +680,10 @@ void DsspTool::calculateHBondEnergy(ResInfo& Donor,
 
            std::cout << "CA-CA distance: " << CalculateAtomicDistances(
                             Donor.getIndex(backboneAtomTypes::AtomCA), Acceptor.getIndex(backboneAtomTypes::AtomCA), fr, pbc) << std::endl;
+           std::cout << "N-O distance: " << distanceNO << std::endl;
+           std::cout << "N-C distance: " << distanceNC << std::endl;
+           std::cout << "H-O distance: " << distanceHO << std::endl;
+           std::cout << "H-C distance: " << distanceHC << std::endl;
 
            if (CalculateAtomicDistances(
                        Donor.getIndex(backboneAtomTypes::AtomCA), Acceptor.getIndex(backboneAtomTypes::AtomCA), fr, pbc)