[lammps-users] Wall atoms missing!

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1

Hi lammps users,

We are trying to set polymer flow simulations on LAMMPS.
The simulation box has 100 chains, 20 monomer per chain surrounded by
3 layers of wall atoms on either side. When I run using the following script
the upper layer contains only 2 layers of instead of 3 but surprisingly the
number of total atoms remains the same. I don’t have a clue of what is going on.
Atom types 1,2,3 & 4 are polymer molecules in different regions along X-axis
where as 5,6,7 & 8 are wall atoms. Here is the input script and data file. Any help would be greatly appreciated.

Thanks
Srikanth Dhondi

data.polymer (340 KB)

test.in (408 Bytes)

2

Your script doesn't define any groups or regions. All the atom
types are hard-wired in the data file. So if the upper vs lower
layer have different numbers of atoms, that's what's in the data file.

Steve