+c call intout
+C write (iout,*) "The Cartesian geometry is:"
+C write (iout,'(8f10.5)') ((c(l,k),l=1,3),k=1,nres)
+C write (iout,'(8f10.5)') ((c(l,k+nres),l=1,3),k=nnt,nct)
+ call pdbout(indstart(me1)+iii,
+ & 1.0d0/(1.987D-3*beta_h(ib,ipar)),
+ &energia(0),eini,0.0d0,0.0d0)
+ call enerprint(energia(0),fT)