--- trunk/OOPSE/libmdtools/Integrator.cpp 2003/08/26 20:29:26 725 +++ trunk/OOPSE/libmdtools/Integrator.cpp 2003/08/27 19:23:29 733 @@ -174,8 +174,7 @@ template void Integrator::integrate(voi // initialize the forces before the first step calcForce(1, 1); - // myFF->doForces(1,1); - + if (info->setTemp){ thermalize(); } @@ -191,7 +190,6 @@ template void Integrator::integrate(voi currSample = sampleTime + info->getTime(); currThermal = thermalTime+ info->getTime(); currStatus = statusTime + info->getTime(); ->>>>>>> 1.18 dumpOut->writeDump(info->getTime()); statOut->writeStat(info->getTime());