From: Max <Infinity2573@gmail.com>
Date: Mon, 26 Sep 2022 12:20:17 +0000 (+0300)
Subject: asdsadsadsaddadssdf
X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=7a819d553fe4e8ba930355a214b1e2bb5b92ef88;p=alexxy%2Fgromacs-dssp.git

asdsadsadsaddadssdf
---

diff --git a/src/dssptools.cpp b/src/dssptools.cpp
index 1f09bfc..d7f9f00 100644
--- a/src/dssptools.cpp
+++ b/src/dssptools.cpp
@@ -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;
     }