Respected Sir/Madam

I need to analysis the products , intermediates and final products are produced during HMX thermal decomposition. which command want to give in lammps. Please do the needful.
Thanking you.

  1. Do a literature search.

  2. Find what are the “exact” numerical procedures that have been published.

  3. Look at the documentation of Lammps to find how to reproduce these procedures.

  4. Ask your precise questions if you didn’t find any answer in the (large and exhaustive) documentation and/or if your tests failed.

Good luck!