Trying to run a gcmc model, but I get error: Molecule topology/atom exceeds system topology/atom

Dear lammps-users,

I use Lammps version (15 may 2015), the latest stable version. I am trying to model the adsorption of water molecules in an empty box with GCMC simulation. I haven’t run a gcmc in lammps before. Here is my molecule file content:

The doc/Section_errors.html file says:

Molecule toplogy/atom exceeds system topology/atom
The number of bonds, angles, etc per-atom in the molecule exceeds the
system setting. See the create_box command for how to specify these
values.

So you have to use the create_box options to anticipate how

much connectivity you will have when you add molecules

via fix gcmc.

Steve