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#
# 1) compiling programs
#
#  /home/username/FRM_support_progs/exec/go.makeg -f
#  /home/username/FRM_support_progs/exec/go.bsse03 -f
#  /home/username/FRM_support_progs/exec/go.FRM -f
#
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#
#
# 2) create gaussians com (g03) with fragments
#
#
# i) prepare makeg.TARGETMOLECULE.inp 
# (see /home/username/FRM_support_progs/examples/0CB
#  for some examples)
#
# ii) run the makeg utility with
#
#  /home/username/FRM_support_progs/exec/go.makeg TARGETMOLECULE
#
# this will create three main files:
# g03.dim.com = g03 com file with the whole dimer
# g03.fra.com = g03 com file with the all the fragments to be summed
# g03.sub.com = g03 com file with the all the fragments to be subtracted
#
# Note: g03.fra.com and g03.sub.com shold be renamed with a label
#       refering to the arrangement
#       e.g. : mv g03.fra.com g03.P52.fra.com   
#              mv g03.sub.com g03.P52.sub.com   
               (for parallel arrangement at 5.2 A)
#                      
#
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#
#
# 3) run the gaussians fra and sub files (dim only for check !)
#
#
#
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#
#
# 4) extract energies and reconstruction of the whole dimer interactions
#
# 
# /home/username/FRM_support_progs/exec/go.FRM P52
# 
# this will create a P52.out file containing all 
#  the information about the reconstruction
#  and a aaa file with only the dimer geometry ant the energy
#
#
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#