Dear all:

I am trying to construct graphene oxide base on the Lerf-Klinowski method,which randomly distributes hydroxyl and epoxy group on graphene.

By using the script form Jason DeJoannis "graphene coating pbc.zip",I decided to first add hydroxyl then epoxy subsequently (the order doesn't matters) with different oxidation coverage by running the script twice.

This script worked well on hydroxyl, but due to the fact that epoxy has two bonds connecting to graphene, I am not sure how to connect the other bond after connecting to the first bond.

I also hope that I can add both groups on the bond the same time, but I guess this isn't necessary.

Thank you very much!