| # | 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" ) ){ | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |