--- trunk/OOPSE/libmdtools/SimSetup.cpp 2004/08/09 14:50:35 1451 +++ trunk/OOPSE/libmdtools/SimSetup.cpp 2004/08/23 15:11:36 1452 @@ -1834,7 +1834,15 @@ void SimSetup::makeIntegrator(void){ myNVE = new ZConstraint >(&(info[k]), the_ff); } else{ - myNVE = new NVE(&(info[k]), the_ff); + if (globals->haveQuaternion()){ + if (globals->getUseQuaternion()) + info->the_integrator = new NVE >(&(info[k]), the_ff); + } + else + info->the_integrator = new NVE(&(info[k]), the_ff); + break; + + //myNVE = new NVE(&(info[k]), the_ff); } info->the_integrator = myNVE;