--- trunk/OOPSE/libmdtools/ForceFields.cpp 2003/07/16 02:11:02 621 +++ trunk/OOPSE/libmdtools/ForceFields.cpp 2003/07/16 21:30:56 626 @@ -26,16 +26,7 @@ void ForceFields::calcRcut( void ){ //calc rCut and rList - entry_plug->rCut = 2.5 * bigSigma; - if(entry_plug->rCut > (entry_plug->boxL[0] / 2.0)) - entry_plug->rCut = entry_plug->boxL[0] / 2.0; - if(entry_plug->rCut > (entry_plug->boxL[1] / 2.0)) - entry_plug->rCut = entry_plug->boxL[1] / 2.0; - if(entry_plug->rCut > (entry_plug->boxL[2] / 2.0)) - entry_plug->rCut = entry_plug->boxL[2] / 2.0; - - entry_plug->rList = entry_plug->rCut + 1.0; - + entry_plug->setRcut( 2.5 * bigSigma ); } void ForceFields::doForces( int calcPot, int calcStress ){