--- trunk/OOPSE/libmdtools/Integrator.cpp 2003/08/11 19:41:36 677 +++ trunk/OOPSE/libmdtools/Integrator.cpp 2003/08/13 19:21:53 693 @@ -184,7 +184,8 @@ template void Integrator::integrate( vo // initialize the forces before the first step calcForce(1, 1); - + // myFF->doForces(1,1); + if( info->setTemp ){ thermalize();