Thank you for your help very much! But another two questions confused me! The first one is that I run the files that you have modified and found that the cumulative reactions increasing with run time step. I set only several reaction sites, why so many reactions occurred? The second question is I found that compute bond/local and compute property/local cannot give the bonds information that created in fix bond/react command. How I can dump out the bond pairs that created in bond/react command?