anchor.diff:    call thermo_data%append(hfile, temperature, e1+e2+e_wall, kin_e, e1+e2+e_wall+kin_e, add=.false., force=.true.)
   
     write(*,*) 'n extra sorting', n_extra_sorting
  -  
  +
  +  call solvent_io%position%append(solvent%pos)
  +  call solvent_io%velocity%append(solvent%vel)
  +  call solvent_io%image%append(solvent%image)
  +  call solvent_io%species%append(solvent%species)
  +
  +  call dimer_io%close()
  +  call hfile%close()
     call h5close_f(error)
   
     write(*,'(a16,f8.3)') solvent%time_stream%name, solvent%time_stream%total
  
positive.code:           sum(solvent% vel**2)/2
       call thermo_data%append(hfile, temperature, e1+e2+e_wall, kin_e, e1+e2+e_wall+kin_e)
  
       if (i .gt. 2000) then
          fixed = .false.
       end if
  
negative.code:            if (particles% pos(2,k) < edges(2)/2.d0) then
                particles% species(k) = 1
             else
                particles% species(k) = 3
             end if  
          end if 
       end do
  