--- trunk/OOPSE/libmdtools/Integrator.cpp 2004/06/01 15:57:30 1211 +++ trunk/OOPSE/libmdtools/Integrator.cpp 2004/06/01 17:15:43 1212 @@ -185,7 +185,7 @@ template void Integrator::integrate(voi tStats->removeCOMdrift(); // initialize the retraints if necessary - if (info->useThermInt) { + if (info->useSolidThermInt && !info->useLiquidThermInt) { myFF->initRestraints(); } @@ -255,7 +255,7 @@ template void Integrator::integrate(voi if (info->getTime() >= currStatus){ statOut->writeStat(info->getTime()); - if (info->useThermInt) + if (info->useSolidThermInt || info->useLiquidThermInt) statOut->writeRaw(info->getTime()); calcPot = 0; calcStress = 0; @@ -280,7 +280,7 @@ template void Integrator::integrate(voi } // dump out a file containing the omega values for the final configuration - if (info->useThermInt) + if (info->useSolidThermInt && !info->useLiquidThermInt) myFF->dumpzAngle();