diff --git a/src/cltools/SimpleMD.cpp b/src/cltools/SimpleMD.cpp index 480e4a48684de35a9feb5ccfe0bf36adf98d0e82..4adcae7f5b45d77acd5fb6861b5e9a5c82393b10 100644 --- a/src/cltools/SimpleMD.cpp +++ b/src/cltools/SimpleMD.cpp @@ -602,6 +602,9 @@ private: } +// call final plumed jobs + plumed->cmd("runFinalJobs"); + // write final positions write_final_positions(outputfile,natoms,positions,cell,wrapatoms);