On Thu, Aug 30, 2018, Marko Tomin wrote:
> However, I can't
> find a way to constrain residues when using the MMPBSA.py script (or
> nmode for that matter).
If you use the NAB version of nmode(), you can ask certain atoms to be
frozen. I don't know if there is a way to do this inside the MMPBSA.py
script or not.
....dac
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Received on Mon Sep 03 2018 - 05:00:02 PDT
