[lammps-users] A package for fragment extraction data and reaction pathways

Dear Users:

I'd like to ask whether any of you know about any free opensource package that I can use to extract the reaction pathways and species that are formed after a reactive MD simulation with LAMMPS/REAX. In my inputfile I use the reax potential and the "reax/bonds" option to save the reactions that occur during reactive MD simulation of the system of molecules. I appreciate your help in advance.



Mechanical Engineering Department, UAB