--- trunk/OOPSE/libmdtools/LJFF.cpp 2004/01/22 17:34:20 976 +++ trunk/OOPSE/libmdtools/LJFF.cpp 2004/04/12 20:32:20 1097 @@ -418,10 +418,7 @@ void LJFF::initializeAtoms( int nAtoms, Atom** the_ato } the_atoms[i]->setMass( currentAtomType->mass ); - the_atoms[i]->setEpslon( currentAtomType->epslon ); - the_atoms[i]->setSigma( currentAtomType->sigma ); the_atoms[i]->setIdent( currentAtomType->ident ); - the_atoms[i]->setLJ(); if( bigSigma < currentAtomType->sigma ) bigSigma = currentAtomType->sigma; }