Hi all,
I am trying to calculate the DOPE energy terms for multiple models. I know very little about python and I'm not sure how to tell modeller to calculate the energy for *each* model. I've attached my script to this e-mail - it's the last 4 lines of the script that I'm having difficulties with. I'd be very grateful if someone could point me in the right direction please?
Many thanks,
Yalini