# | Line 734 | Line 734 | void SimSetup::createSim( void ){ | |
---|---|---|
734 | if( the_globals->haveTempSet() ) simnfo->setTemp = the_globals->getTempSet(); | |
735 | ||
736 | ||
737 | < | // // make the longe range forces and the integrator |
738 | < | |
739 | < | // new AllLong( simnfo ); |
737 | > | // make the integrator |
738 | ||
739 | ||
740 | < | if( !strcmp( force_field, "TraPPE_Ex" ) ){ |
740 | > | if( !strcmp( ensemble, "TraPPE_Ex" ) ){ |
741 | new Symplectic(simnfo, the_ff, the_extendedsystem); | |
742 | } | |
743 | else if( !strcmp( force_field, "LJ" ) ){ |
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