[lammps-users] How to switch off some bond parameters in REAX force field

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1

Dear Lammps users:

I am planning to simulate the reactions of some hydrocarbons with Oxygen and I want to switch off the bond parameters of C-O and H-O. How can I do this in Lammps?

I am looking forwards to hearing from you.

Regards,

Farshad Saberi

Mechanical Engineering Department
University of Alabama at Birmingham

2

After running for some number of timesteps, you can re-use
the bond_coeff command or the delete_bonds command to alter
the model you have defined, then run some more.

Steve