--- trunk/OOPSE/libmdtools/LJFF.cpp 2004/01/22 17:34:20 976 +++ trunk/OOPSE/libmdtools/LJFF.cpp 2004/05/12 20:14:09 1172 @@ -162,7 +162,7 @@ LJFF::LJFF(){ // generate the force file name strcpy( fileName, "LJFF.frc" ); - fprintf( stderr,"Trying to open %s\n", fileName ); + // fprintf( stderr,"Trying to open %s\n", fileName ); // attempt to open the file in the current directory first. @@ -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; }