To delete some angles via topotools

There is way to delete angles in lammps. Group the atoms in the angles. delete the bonds associated with the angles. Then delete the atoms multi any remove special.


Dear Arun,

Thank you for your reply. If you mean is that I use the following commands;

group carbon type 1
group hydrogen type 2
group oxygen type 3
group water type 2 3
delete_bonds carbon …
delete_atoms carbon …

I need to say that I do not want to delete any atom. I think if I want to use the commands above together I will delete a lot of atoms. Right?

Likewise, I think I should remove the C-C-C angles before using "topo writelammpsdata " command via topotools because when I do not regulate that I come across to an error as “ERROR: All angle coeffs are not set (…/angle.cpp:68)” . So, I have to define an angle for carbon atoms.

I already tried to apply "topo delangle " command to delete the atoms but there are a lot of atoms to be deleted.

The delete_bonds command has an option to delete angles as well.
You don’t need to use delete_atoms.