From: Max <Infinity2573@gmail.com>
Date: Mon, 19 Sep 2022 23:07:44 +0000 (+0300)
Subject: asdsadsa
X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=9ef3da9561d0dc61ac52b5d43f060d84a0a5603e;p=alexxy%2Fgromacs-dssp.git

asdsadsa
---

diff --git a/src/dssptools.cpp b/src/dssptools.cpp
index 329742c..1ff271f 100644
--- a/src/dssptools.cpp
+++ b/src/dssptools.cpp
@@ -724,7 +724,7 @@ 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(); // TODO * gmx::c_nm2A; if not PDB, i guess????
+   return r.norm(); // TODO * gmx::c_nm2A; if not PDB, i guess????
    return r.norm() * gmx::c_nm2A; // TODO * gmx::c_nm2A; if not PDB, i guess????
 }
 
@@ -733,7 +733,7 @@ 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(); // TODO * gmx::c_nm2A; if not PDB, i guess????
+   return r.norm(); // TODO * gmx::c_nm2A; if not PDB, i guess????
    return r.norm() * gmx::c_nm2A; // TODO * gmx::c_nm2A; if not PDB, i guess????
 }