diff --git a/src/cltools/SimpleMD.cpp b/src/cltools/SimpleMD.cpp index 5978c54eff02c1673426d8c196e640020ba556af..c3e49685e76c214cacfc9207ff925c19b30ed29e 100644 --- a/src/cltools/SimpleMD.cpp +++ b/src/cltools/SimpleMD.cpp @@ -603,6 +603,9 @@ private: } +// call final plumed jobs + plumed->cmd("runFinalJobs"); + // write final positions write_final_positions(outputfile,natoms,positions,cell,wrapatoms);