public void setMM2Parameters ( IChemObjectBuilder builder ) throws CDKException { try { if ( mm2 == null ) mm2 = new MM2BasedParameterSetReader ( ) ; mm2 . readParameterSets ( builder ) ; } catch ( Exception ex1 ) { throw new CDKException ( "Problem within readParameterSets due to:" + ex1 . toString ( ) , ex1 ) ; } parameterSet = mm2 . getParamterSet ( ) ; atomTypes = mm2 . getAtomTypes ( ) ; }
Sets the parameters attribute of the ForceFieldConfigurator object default is mm2 force field