Dear Community.

I have run DMol3 to get electrostatic charge for each atoms of my monomer ethylene oxide.

And then I'm trying to applying ESP-fitted data from DMol3 data to each atoms "automatically" by using scripting. But, it's very hard for me.

- Could you guys help me for writing the script that I want?

- If it works, applied charge datas of atoms still remain after polymerization?

Any help appreciated.