From: Nancy Singh (kapoornancy25_at_gmail.com)
Date: Mon Aug 30 2021 - 08:59:47 CDT
Hii,
I have done simulations for my protein-ligand complex for 20ns. Now I want
to calculate the binding free energy for my ligand and protein. I am new to
using In NAMD so I don't have any idea how to approach it. In AMBER we can
use MMPBSA.py for free energy calculation that I know.
What is the alternative for this in NAMD? It will be really helpful if I
can get any insight on this.
Thank you
Regards,
Nancy
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