Sorry there, had not seen the previous texts, the itp file needs epsilon and sigma values.
https://ask.bioexcel.eu/t/make-hybrid-py-list-index-out-of-range-error/2488/2?u=s.pallav
Regards,
Pallav.
Sorry there, had not seen the previous texts, the itp file needs epsilon and sigma values.
https://ask.bioexcel.eu/t/make-hybrid-py-list-index-out-of-range-error/2488/2?u=s.pallav
Regards,
Pallav.