From d581430981cbcdf435674950f2e05864a097b3ca Mon Sep 17 00:00:00 2001 From: Max Date: Tue, 11 Oct 2022 23:47:27 +0300 Subject: [PATCH] =?utf8?q?=D0=94=D0=BE=D0=B1=D0=B0=D0=B2=D0=B8=D0=BB=20?= =?utf8?q?=D1=81=D1=82=D1=80=D0=B0=D0=BD=D0=BD=D0=BE=D0=B5=20=D0=B4=D0=B5?= =?utf8?q?=D0=B9=D1=81=D1=82=D0=B2=D0=B8=D0=B5,=20=D0=BA=D0=BE=D1=82=D0=BE?= =?utf8?q?=D1=80=D0=BE=D0=B3=D0=BE=20=D0=BF=D0=BE=D1=87=D0=B5=D0=BC=D1=83-?= =?utf8?q?=D1=82=D0=BE=20=D0=BD=D0=B5=D1=82=20=D0=B2=20dssp....?= MIME-Version: 1.0 Content-Type: text/plain; charset=utf8 Content-Transfer-Encoding: 8bit --- src/dssptools.cpp | 2 ++ 1 file changed, 2 insertions(+) diff --git a/src/dssptools.cpp b/src/dssptools.cpp index 9db6df6..a7d962e 100644 --- a/src/dssptools.cpp +++ b/src/dssptools.cpp @@ -987,6 +987,7 @@ void DsspTool::calculateHBondEnergy(ResInfo& Donor, if (HbondEnergy < Donor.acceptorEnergy[0]){ Donor.acceptor[1] = Donor.acceptor[0]; + Donor.acceptorEnergy[1] = Donor.acceptorEnergy[0]; Donor.acceptor[0] = Acceptor.info; Donor.acceptorEnergy[0] = HbondEnergy; } @@ -998,6 +999,7 @@ void DsspTool::calculateHBondEnergy(ResInfo& Donor, if (HbondEnergy < Acceptor.donorEnergy[0]){ Acceptor.donor[1] = Acceptor.donor[0]; + Acceptor.donorEnergy[1] = Acceptor.donorEnergy[0]; Acceptor.donor[0] = Donor.info; Acceptor.donorEnergy[0] = HbondEnergy; } -- 2.22.0