diff --git a/src/PlumedMain.cpp b/src/PlumedMain.cpp index d807fa2c8ea04455517576bf4bc910a66405a250..02ce20ffe25f5a9d688549be6b07fa7a3160dfe4 100644 --- a/src/PlumedMain.cpp +++ b/src/PlumedMain.cpp @@ -369,6 +369,10 @@ void PlumedMain::prepareDependencies(){ // new/changed dependency (up to now, only useful for dependences on virtual atoms, // which can be dynamically changed). // + +// First switch off all actions + for(ActionSet::iterator p=actionSet.begin();p!=actionSet.end();p++) (*p)->deactivate(); + // for optimization, an "active" flag remains false if no action at all is active active=false; for(unsigned i=0;i<pilots.size();++i){ @@ -432,9 +436,6 @@ void PlumedMain::performCalc(){ // this is updating the MD copy of the forces atoms.updateForces(); -// Finally switch off all actions (they will be switched on at next step - for(ActionSet::iterator p=actionSet.begin();p!=actionSet.end();p++) (*p)->deactivate(); - } void PlumedMain::load(std::vector<std::string> & words){