- fixed atom names for colors

[alexxy/gromacs-colorvec.git] / src / colorvec.cpp

diff --git a/src/colorvec.cpp b/src/colorvec.cpp
index 0b56d474aacc3689136edbd6672f2dce25db09bd..0ef341d4da16bac9a67a609727b73a99fe1b8444 100644 (file)
--- a/src/colorvec.cpp
+++ b/src/colorvec.cpp
@@ -395,7 +395,7 @@ colorVec::initAnalysis( const gmx::TrajectoryAnalysisSettings   &settings,
     colorsNames.resize(sel_.size() - 2);
     for (size_t i = 2; i < sel_.size(); ++i) {
         for (gmx::ArrayRef< const int >::iterator ai {sel_[i].atomIndices().begin()}; (ai < sel_[i].atomIndices().end()); ai++) {
-            colorsNames[i - 2].push_back(std::make_pair(top.atoms()->atom[*ai].elem, static_cast< size_t >(*ai)));
+            colorsNames[i - 2].push_back(std::make_pair(*(top.atoms()->atomname[*ai]), static_cast< size_t >(*ai)));
         }
     }