import "mPET-head.lt" import "mPET-unit.lt" import "mPET-tail.lt" import "forcefield.lt" mPET10 inherits OPLSAA { create_var {$mol} monomers[0] = new head monomers[1-8] = new unit[8] monomers[9] = new tail write('Data Bond List') { $bond:b1 $atom:monomers[0]/O1 $atom:monomers[1]/C37 $bond:b2 $atom:monomers[1]/O1 $atom:monomers[2]/C37 $bond:b3 $atom:monomers[2]/O1 $atom:monomers[3]/C37 $bond:b4 $atom:monomers[3]/O1 $atom:monomers[4]/C37 $bond:b5 $atom:monomers[4]/O1 $atom:monomers[5]/C37 $bond:b6 $atom:monomers[5]/O1 $atom:monomers[6]/C37 $bond:b7 $atom:monomers[6]/O1 $atom:monomers[7]/C37 $bond:b8 $atom:monomers[7]/O1 $atom:monomers[8]/C37 $bond:b9 $atom:monomers[8]/O1 $atom:monomers[9]/C38 } }