From 37956400be5c77267d602ca97052c52648e04c6c Mon Sep 17 00:00:00 2001 From: Teemu Murtola Date: Sat, 4 Jul 2015 20:45:11 +0300 Subject: [PATCH] Fix copy-paste bug in gmx distance The -oxyz option did not behave properly (the computed values should be fine, but the behavior of where the output goes can be unpredictable). Change-Id: Idcd389c3809189f85a630094b9aaea6d61a5f954 --- src/gromacs/trajectoryanalysis/modules/distance.cpp | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/gromacs/trajectoryanalysis/modules/distance.cpp b/src/gromacs/trajectoryanalysis/modules/distance.cpp index 13794cb2a9..524e735354 100644 --- a/src/gromacs/trajectoryanalysis/modules/distance.cpp +++ b/src/gromacs/trajectoryanalysis/modules/distance.cpp @@ -1,7 +1,7 @@ /* * This file is part of the GROMACS molecular simulation package. * - * Copyright (c) 2010,2011,2012,2013,2014, by the GROMACS development team, led by + * Copyright (c) 2010,2011,2012,2013,2014,2015, by the GROMACS development team, led by * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl, * and including many others, as listed in the AUTHORS file in the * top-level source directory and at http://www.gromacs.org. @@ -265,7 +265,7 @@ Distance::initAnalysis(const TrajectoryAnalysisSettings &settings, { AnalysisDataPlotModulePointer plotm( new AnalysisDataPlotModule(settings.plotSettings())); - plotm->setFileName(fnAll_); + plotm->setFileName(fnXYZ_); plotm->setTitle("Distance"); plotm->setXAxisIsTime(); plotm->setYLabel("Distance (nm)"); -- 2.22.0