From: McGuire, Kelly (mcg05004_at_byui.edu)
Date: Thu Feb 28 2019 - 19:30:52 CST
Is it possible to have multiple harmonic constraints during equilibration? I would like to constrain the XYZ coordinates of my protein, but only constrain Z for my ligand. Right now I use the code below, but not exactly sure how to modify it so that only the z-coordinates for the ligand are constrained. I found selectConstrZ, but it's not very specific in only certain atoms can have this applied and not others.
Kelly L. McGuire
Department of Physiology and Developmental Biology
Brigham Young University
Provo, UT 84602
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