[lammps-users] Has anybody simulated a mica surface ?

Dear Lammps users,

Has anyone simulated a mica surface ?

I prepared a muscovite mica surface by cleaving (001) plane using Cerius2.
My surface contains one aluminium sheet between two silica sheet, and two K+ on
top of one silica sheet.

Then I used msi2lmp tool to create the lammps data file.
But I got WARNING " Inconsistent number of connects" on atoms ******* .
mostly on oxygens.

Probably this is the reason that I am getting error " bond/dihedral/angle atom
missing" while running dynamics in lammps..

But the structure and bonds in Cerius2 model seems OK.

Has anyone experienced this before and have any suggestions ?

Thanks for any help.
Mousumi

That warning is coming from msi2lmp, not LAMMPS itself, correct?
So I wouldn't trust the output of the tool, and thus the input
you are giving to LAMMPS, until you satisfy yourself that
you know what the warning means and that it is not a concern
for your system.

Steve