bond count is inconsistent

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1 
Dear LAMMPS Users,

I am interested in simulation of polymer chains. In my system there is no
angle, dihedral or charge term. LAMMPS initialize my system in right way
like this.
reading atoms ...
  6098 atoms
  scanning bonds ...
  1 = max bonds/atom
  reading bonds ...
  6052 bonds
Finding 1-2 1-3 1-4 neighbors ...
  2 = max # of 1-2 neighbors
  2 = max # of 1-3 neighbors
  4 = max # of 1-4 neighbors
  106 = max # of special neighbors

Now, I have to use fix bond/create command for creating extra bond between
the some monomer of chain. So i defined extra bonds per atom in my data
file like this.
6098 atoms
6052 bonds
4 atom types
2 bond types
6053 extra bonds per atom

and special_bonds in LAMMPS script like this
special_bonds lj 1 1 1
special_bonds extra 3

Now when am i running LAMMPS script, i am getting the error like...
  reading atoms ...
  6098 atoms
  scanning bonds ...
  2 = max bonds/atom
  reading bonds ...
  6053 bonds
Finding 1-2 1-3 1-4 neighbors ...
  3 = max # of 1-2 neighbors
  4 = max # of 1-3 neighbors
ERROR on proc 0: 1-3 bond count is inconsistent (../special.cpp:287)

I tried to change "special_bonds extra" parameter or even "extra special
per atom" parameter also but this error is coming again and again. I do
not have any clue why am i getting this error.

Any help would be beneficial for continuing my work.

Thank you.

Ankit Agrawal
The Institute of Mathematical Sciences
India
2

“Per atom” in the data file does not mean the total.

It means one or two per atom. And you don’t need
to set the param in both the data file and via the
special_bonds command. Just use one or the other.

Steve