--- trunk/OOPSE/libmdtools/Integrator.cpp 2004/05/22 18:16:18 1187 +++ 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 +255,8 @@ template void Integrator::integrate(voi if (info->getTime() >= currStatus){ statOut->writeStat(info->getTime()); - statOut->writeRaw(info->getTime()); + if (info->useSolidThermInt || info->useLiquidThermInt) + statOut->writeRaw(info->getTime()); calcPot = 0; calcStress = 0; currStatus += statusTime; @@ -279,7 +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();