# | Line 565 | Line 565 | void TraPPE_ExFF::initializeAtoms( void ){ | |
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565 | the_atoms[i]->setMass( currentAtomType->mass ); | |
566 | the_atoms[i]->setEpslon( currentAtomType->epslon ); | |
567 | the_atoms[i]->setSigma( currentAtomType->sigma ); | |
568 | + | the_atoms[i]->setIdent( currentAtomType->ident ); |
569 | the_atoms[i]->setLJ(); | |
570 | ||
571 | if( bigSigma < currentAtomType->sigma ) bigSigma = currentAtomType->sigma; |
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