From e483f1aa80a74da404fdf966b53cb34186e4b259 Mon Sep 17 00:00:00 2001 From: Max Date: Tue, 20 Sep 2022 01:58:23 +0300 Subject: [PATCH] asdsadasd --- src/dssptools.cpp | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/dssptools.cpp b/src/dssptools.cpp index ec196bf..75546a3 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???? } -- 2.22.0