--- trunk/OOPSE/libmdtools/SimSetup.cpp 2003/03/26 21:50:33 412 +++ trunk/OOPSE/libmdtools/SimSetup.cpp 2003/03/26 22:02:36 414 @@ -897,9 +897,22 @@ void SimSetup::makeMolecules( void ){ excludeOffset += info.nTorsions; + // send the arrays off to the forceField for init. + the_ff->initializeAtoms( info.nAtoms, info.myAtoms ); + the_ff->initializeBonds( info.nBonds, info.myBonds, theBonds ); + the_ff->initializeBends( info.nBends, info.myBends, theBends ); + the_ff->initializeTorsions( info.nTorsions, info.myTorsions, theTorsions ); + the_molecules[i].initialize( info ); + atomOffset += info.nAtoms; + } + + // clean up the forcefield + + the_ff->cleanMe(); +}