anchor.diff:    type(tag_list), dimension(:), allocatable :: tl, tl_tmp
     double precision :: rmsd, rmsd_tmp, ediff, ediff_tmp, rmsd_lim = .5d0, ediff_lim = 5.d0, e_ub = 0.d0, anceps = 1.d0
     double precision, dimension(:), allocatable :: maxrmsd, maxediff, maxrmsd_tmp, maxediff_tmp
  -  double precision, parameter :: h2kcm = 627.509469d0
  +  double precision :: econv = 627.509469d0
     
     open(123,file='tmp.txt',status='old')
     read(123,*) num_files
  -  read(123,*) rmsd_lim
  +  read(123,*) rmsd_lim, ediff_lim, econv
     read(123,*) anceps
  -  
  +  
     write(6,'(A)') 'Reading structures ...'
  -  
  +  
     allocate(struc_rep(num_files))
     
     read(123,*) curnum, filename
  
positive.code:   type tag_list
      integer, dimension(:), allocatable :: i
    end type
    
    integer :: num_files, i, j, cand, k, cnt, curnum, tmpsize, tmpratio, curratio
    character(len=50) :: filename
    integer, dimension(:), allocatable :: tmp_array
    integer, dimension(0:19) :: ref_array, com_array
  
negative.code: 	call progressbar_add(tmpratio,curratio)
  	tmpratio = curratio
      do j=1,size(tl)
        ediff_tmp = abs(struc_get_energy(struc_rep(i)) - struc_get_energy(struc_rep(tl(j)%i(1))))*econv
        if (ediff_tmp .gt. ediff_lim) cycle
        
        call rmsd_set_anc_s2(struc_rep(tl(j)%i(1)))
        call rmsd_calc(rmsd_tmp,cnt)
        
        write(95,'(A,I4.1,A,I4.1,A,F10.4,A,F10.4,A,I4)') 'compare ',struc_rep(i)%tag,' and ',struc_rep(tl(j)%i(1))%tag,&
        &'; RMSD [A]: ',rmsd_tmp,';    Delta E [kcal/mol]: ',(struc_rep(tl(j)%i(1))%energy-struc_rep(i)%energy)*econv,&
        &';  Match count:', cnt
        
        if (rmsd_tmp .ge. rmsd) cycle
  