From: McGuire, Kelly (mcg05004_at_byui.edu)
Date: Thu Jun 04 2020 - 20:05:51 CDT
I haven't ever tried this before. I have a custom copper ligand that I am trying to simulate in an ion channel. I would like to have an explicit bond between the copper and an imidazole nitrogen on a histidine sidechain in the protein. I have a topology and parameter file for my copper ligand. How do I specify and keep a bond between the histidine sidechain and the copper of my ligand? Thanks!
Kelly L. McGuire
Department of Physiology and Developmental Biology
Brigham Young University
Provo, UT 84602
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