$GLBFRG group               (relevant to RUNTYP=GLOBOP)
 
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   This group defines the sets of ab initio atoms in $DATA
that are treated as groups in Monte Carlo runs.  It also
defines any groups that are to be frozen, not moved during
the Monte Carlo search.
 
AIFRG  = an array assigning atoms to groups. Two styles
         are supported (the choice is made based on
         AIFRG(1): if it is nonzero, choice (a) is taken,
         otherwise AIFRG(1) is ignored and choice (b) is
         taken):
         a) AIFRG(i)=m assigns atom i is to fragment m.
            AIFRG(i) must be given for each atom.
         b) the style is
            a1 a2 ... ak 0
            b1 b2 ... bm 0
            ...
            Elements a1...ak are assigned to fragment 1,
            then b1...bm are assigned to fragment 2,etc.
            An element is one of the following:
                I    or   I -J
            where I means atom I, and a pair I,-J means
            the range of atoms I-J.  There must be no space
            after the "-"!
         Example:
         AIFRG(1)=1,1,1,2,2,1 is equivalent to
         AIFRG(1)=0, 1,-3,6,0, 4,5,0
         Both assign atoms 1,2,3 and 6 to fragment 1,
         and 4,5 to fragment 2.
 
NAICUT = automatically divides a molecule into fragments by
         assigning NAICUT atoms to each fragment (useful
         for something like water clusters).  This sets
         AIFRG, so it need not be included.  If 0, the
         automatic option is disabled. (default: 0)
 
IFXFMO = array of FMO fragments or ab initio groups that
         are not moved during the Monte Carlo search.
         if an optimization step (MCMIN or OPTN) is used,
         the fragment/group will likely be moved.
 
IBNDS  = Array of atoms to be positionally linked.
         example for two pairs between atoms 1 and 5,
         and 3 and 6.
         IBNDS(1)=1,5,3,6
 
PRSEP  = Maximum separation allowed for paired atoms.
         The default uses a formula using the average
         atomic radii of each element from Macmolplt, which
         are designed to approximate single bonds.
            PRSEP= (radius_atom1 + radius_atom2)*1.05
         To specify a different max separation, you MUST
         specify a value for each pair of bonded atoms
         given in IBNDS in the same order.  To use the
         default for a given pair, enter 0.
         Example: for 3 pairs with a non-default maximum
         separation for the second pair given in IBNDS use
         PRSEP(1)=0,X,0 where X is the desired separation
 
INDEP  = Integer flag that toggles whether translations
         of fragments connected by paired atoms are
         propagated to all other connected fragments.
         A value of 1 disables propagation. (Default=0)
 
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