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