From: Magnus Andersson (magnus.andersson_at_scilifelab.se)
Date: Mon Apr 15 2013 - 06:37:26 CDT
I have docked a ligand into a membrane protein and want to simulate the system with the ligand exploring the inside of the protein, but not leave into the bulk solution.
selectConstraints can be used to keep a ligand at a certain z-coordinate.
But, I need to define a window in the z-dimension, rather than a single point.
Can this be done with NAMD?
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