DFT with dummy atoms(no charge)

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Hi,
I'm using NWChem to calculate DFT energy between 2 monomers. But, If I wish to replace 1 monomer with a set of dummy atoms with neutral charge then how am I supposed to do it in Nwchem-6.5.
Please give me some suggestions regarding the issue.

The code I was using to calculate DFT energy between 2 monomers is:

title 'bond_energy'
memory total 61440 mb  #Specifying maximum memory here 60gb...
start dimer
geometry units angstrom
  N 5.286 28.124 48.085 
  H 5.966 28.410 48.528 
  O 7.110 29.056 50.252 
  C 7.758 28.682 51.230
  N 26.101 41.603 7.814
  H 22.139 43.021 7.163
end
basis "ao basis"
  * library 6-311+g*
  bqN library N 6-311+g*
  bqH library H 6-311+g*
  bqO library O 6-311+g*
  bqC library C 6-311+g*
end
dft
  xc m06-2x
  direct
  grid fine
  iterations 10000
end
bsse
  mon first 1 2
  mon second 3 4 5 6
end
task dft energy


Here, I'm trying to replace 1, 2,3,4 with dummy atoms (the first 4 atoms).
Please help me out here with the code.

Thank you.
Edited On 10:19:07 PM PDT - Thu, May 3rd 2018 by Neo


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