Hello,
I was planning on using the Attach-Pull-Release (APR) technique to calculate binding energy for my protein-protein system. My input file is already set with a water box and ions, so when I use the APR technique the waters are being dragged through the center of my protein system. Is it maybe because the script zalign.py is picking up waters instead of the protein? I ensured this was not the case by renaming my residues of interest and using those names as inputs. Any insight would be greatly appreciated.
Natesan Mani
(pronouns: he/him)
PhD student,
Department of Chemical Engineering,
Northeastern University.
Phone: +17134017811
Email : mani.na.northeastern.edu
LinkedIn<
http://www.linkedin.com/in/natesan-mani> | Website<
https://sites.google.com/view/simbiosyslab>
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Received on Thu Oct 26 2023 - 09:30:02 PDT
