From 507aa8fa97dbd84953c00e3119d3acd462e0ebb3 Mon Sep 17 00:00:00 2001 From: Max Date: Tue, 20 Sep 2022 02:13:58 +0300 Subject: [PATCH] sdsadsa --- src/dssptools.cpp | 2 ++ 1 file changed, 2 insertions(+) diff --git a/src/dssptools.cpp b/src/dssptools.cpp index 3ee6359..63feac4 100644 --- a/src/dssptools.cpp +++ b/src/dssptools.cpp @@ -725,6 +725,7 @@ 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() * 10; // TODO * gmx::c_nm2A; if not PDB, i guess???? return r.norm() * gmx::c_nm2A; // TODO * gmx::c_nm2A; if not PDB, i guess???? } @@ -734,6 +735,7 @@ 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() * 10; // 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