--- trunk/OOPSE/libmdtools/SimSetup.cpp 2003/10/30 18:59:20 845 +++ trunk/OOPSE/libmdtools/SimSetup.cpp 2003/11/06 22:01:37 855 @@ -699,6 +699,11 @@ void SimSetup::gatherInfo(void){ if (globals->haveTempSet()) info[i].setTemp = globals->getTempSet(); + + // check for the extended State init + + info[i].useInitXSstate = globals->getUseInitXSstate(); + info[i].orthoTolerance = globals->getOrthoBoxTolerance(); } @@ -853,7 +858,9 @@ void SimSetup::finalInfoCheck(void){ info[i].setDefaultEcr(theEcr, theEst); } } - info[i].checkCutOffs(); + + if( !initSuspend ) + info[i].checkCutOffs(); } #ifdef IS_MPI