--- trunk/OOPSE/libmdtools/Integrator.cpp 2003/08/26 20:37:30 726 +++ 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(); }