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:   maxrmsd(1) = 0.d0
    maxediff(1) = 0.d0
  
  
    write(6,'(A)') 'Starting analysis ...'
    
    tmpratio=0
  