--- trunk/OOPSE/libmdtools/Integrator.cpp 2004/04/14 15:37:41 1108 +++ trunk/OOPSE/libmdtools/Integrator.cpp 2004/04/15 16:18:26 1113 @@ -182,9 +182,6 @@ template void Integrator::integrate(voi // initialize the forces before the first step calcForce(1, 1); - - //temp test - tStats->getPotential(); if (nConstrained){ preMove(); @@ -213,7 +210,7 @@ template void Integrator::integrate(voi MPIcheckPoint(); #endif // is_mpi - while (info->getTime() < runTime && stopIntegrator()){ + while (info->getTime() < runTime && !stopIntegrator()){ if ((info->getTime() + dt) >= currStatus){ calcPot = 1; calcStress = 1;