From: Max <Infinity2573@gmail.com>
Date: Sun, 25 Sep 2022 11:39:57 +0000 (+0300)
Subject: SADDDDDDDDDDDDDDD
X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=f3866c8ca5f12640f872594a7a015fecc2e05a4b;p=alexxy%2Fgromacs-dssp.git

SADDDDDDDDDDDDDDD
---

diff --git a/src/dssptools.cpp b/src/dssptools.cpp
index f13755a..24b5f6e 100644
--- a/src/dssptools.cpp
+++ b/src/dssptools.cpp
@@ -720,6 +720,7 @@ float DsspTool::CalculateAtomicDistances(const int &A, const int &B, const t_trx
 {
    gmx::RVec r{ 0, 0, 0 };
    pbc_dx(pbc, fr.x[A], fr.x[B], r.as_vec());
+   return r.norm();
    return r.norm() * gmx::c_nm2A;
 }
 
@@ -728,6 +729,7 @@ float DsspTool::CalculateAtomicDistances(const rvec &A, const int &B, const t_tr
 {
    gmx::RVec r{ 0, 0, 0 };
    pbc_dx(pbc, A, fr.x[B], r.as_vec());
+   return r.norm();
    return r.norm() * gmx::c_nm2A;
 }