From 66295a50a5af8fbd70a491bddae6f12214bbfab8 Mon Sep 17 00:00:00 2001 From: Max Date: Sun, 25 Sep 2022 16:47:04 +0300 Subject: [PATCH] =?utf8?q?=D0=95=D0=95=D0=95=D0=95=D0=95=D0=95=D0=95=D0=95?= =?utf8?q?=D0=95=D0=95=D0=95=D0=95=D0=95=D0=95=D0=95=D0=95=D0=95=D0=95?= =?utf8?q?=D0=95=D0=95?= MIME-Version: 1.0 Content-Type: text/plain; charset=utf8 Content-Transfer-Encoding: 8bit Это говно начало работать! --- src/dssptools.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/dssptools.cpp b/src/dssptools.cpp index 8d63288..35a3962 100644 --- a/src/dssptools.cpp +++ b/src/dssptools.cpp @@ -756,7 +756,7 @@ 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(); // НЕ ТРОГАТЬ + return r.norm() * gmx::c_nm2A; // НЕ ТРОГАТЬ } void DsspTool::initAnalysis(/*const TrajectoryAnalysisSettings &settings,*/const TopologyInformation& top, const initParameters &initParamz) -- 2.22.0