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author
Max
<Infinity2573@gmail.com>
Mon, 26 Sep 2022 12:20:17 +0000
(15:20 +0300)
committer
Max
<Infinity2573@gmail.com>
Mon, 26 Sep 2022 12:20:17 +0000
(15:20 +0300)
src/dssptools.cpp
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diff --git
a/src/dssptools.cpp
b/src/dssptools.cpp
index 1f09bfcda8b4f58e5a19ef7d1faa35b3236a1c66..d7f9f00c362e0cbf2fccd8aa6a5fde27f304090f 100644
(file)
--- 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;
}