fix bond_break and harmonic potential

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1

Dear all,

I wanted to make sure I understand things correctly: in my simulations of non-interacting particles, I only use harmonic bonds, which at some point, need to be broken. I use the following commands to obtain this:

fix 1 all bond/break 10 1 2
pair_style none
bond_style harmonic
bond_coeff 1 10.0 1
special_bonds lj/coul 0 1 1
delete_bonds all bond 0 remove

I am slightly confused as to whether this is the correct way of doing this because I do not want LJ and Coulomb interactions to have an impact on my harmonic potential. Could you please let me know whether this is the case here?

Thank you very much in advance for your contribution.

With best wishes,
Anna

2

You can remove all the bonds whenever you
wish, via the delete_bonds command.

Steve

3

Thank you Steve for your quick reply, I think I did not make my statement clear – delete bonds command requires special bonds of type 0,1,1 therefore i need to set special_bonds lj/coul 0 1 1, and I cannot understand whether or not LJ and Coulomb interactions after adding “special bonds” are present or not as I only want a harmonic bond without LJ or Coulomb. I remove harmonic bonds when broken ( delete_bonds all bond 0 remove).

Thank you again for your help!

with best wishes,
Anna