Hi, I have a problem to ask for help. I ran a simulation with reaxff successfully, then I want to rerun the case by using rerun command. And in the rerun case, I got this error: step672000-hbondchk failed: H=83 end(H)=2128 str(H+1)=2127. I want to ask how to solve this problem. Becasue I have already ran the simulation successfully before. I think this problem might be in the rerun command or the reaxff code. Thank you very much for your help in advance!
Best wishes,
Yiran