From: Max <Infinity2573@gmail.com>
Date: Sun, 25 Sep 2022 12:55:46 +0000 (+0300)
Subject: sadasdasddsfdsfsdf
X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=3d3dd8e3e4bdd182a2ee35794e2f9966df844704;p=alexxy%2Fgromacs-dssp.git

sadasdasddsfdsfsdf
---

diff --git a/src/dssptools.cpp b/src/dssptools.cpp
index f12a285..512459a 100644
--- 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)