Files
lammps/examples/PACKAGES/srp_react

This directory contains an input script for performing 
simulations with the srp/react pair style. The pair style
srp/react interfaces fix bond/break and fix bond/create commands
with the segmental repulsive potential. This is useful in simulating 
reactions with soft potentials such as DPD where minimizing 
topological violations is important.

The input script in.srp_react is an example of a simulation of
a degrading nanogel particle. An initial equilibrated structure
of a nanogel particle (prior to degradation) is read from the 
restart file. The degradation reaction is simulated via 
the fix bond/break command. The simulation will generate the 
file bonds_broken.txt containing the number of bonds 
broken and fraction of bonds intact over the simulation time. 
For more details see the LAMMPS online documentation and the 
paper: Palkar, V., & Kuksenok, O. (2022). JPC B, 126, 336.