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asdasd
author
Max
<Infinity2573@gmail.com>
Mon, 1 Aug 2022 23:15:24 +0000
(
02:15
+0300)
committer
Max
<Infinity2573@gmail.com>
Mon, 1 Aug 2022 23:15:24 +0000
(
02:15
+0300)
src/dssptools.cpp
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diff --git
a/src/dssptools.cpp
b/src/dssptools.cpp
index 52fc4b38ffe762aa4be550afdf83d08f43a69ebb..cf54e532f305ce82fbe84698ce279dc302f95743 100644
(file)
--- a/
src/dssptools.cpp
+++ b/
src/dssptools.cpp
@@
-594,6
+594,8
@@
void DsspTool::calculateHBondEnergy(ResInfo& Donor,
|| (distanceOH < minimalAtomDistance) || (distanceCN < minimalAtomDistance))
{
HbondEnergy = minEnergy;
+
+ std::cout << "HBOND exists cause of distance" << std::endl;
}
else
{
@@
-604,6
+606,12
@@
void DsspTool::calculateHBondEnergy(ResInfo& Donor,
if ( HbondEnergy < minEnergy ){
HbondEnergy = minEnergy;
}
+
+ if ( HbondEnergy < -0.5 ){
+ std::cout << "HBOND exists cause of energy" << std::endl;
+ }
+
+
}
}
}