I am working with crosslinking of polymers. during simulation wanted to make bond. is it possible to do in lammps? how to account for the forcefield parameter for the newly formed bonds during simulation.
Lammps is just an engine to perform MD, it's not a force field. If you have a force field that allows bond breaking and bond formation, lammps should be able to handle it. The one implementation of such force field, or rather many-body potential, is ReaxFF (but there are many others) and it is implemented in lammps. There are many examples of use of ReaxFF to model various chemical systems, so there's a chance it has been parametrized for the system you're interested in.