Printing a bond information

Hi all ,

I am trying to print the bond information in each printing step. In a 7 tube bundle (CNT) system the center tube is pulled out from the system from axial direction. The seven tube are connected via crosslinks formed with interstitial carbon atom. The interstitial carbon form bond with neighboring wall of CNT but during the pullout the bond will be broken. I want to print the information of breaking of bond by getting all possible bond information. Would somebody suggest me the suitable command for this.


Thank you

If you use ReaxFF then you can get bond information from “fix reax/c/bonds”. Not sure about other force fields.



Thank you Sanjib . But I am using AIREBO pair potential.




If you only want to count the number of bonds each atom has, and if you can safely assume the presence of a bond based on distance, then you can use the coord/atom compute:

Thank you.