[AMBER] the parameter mctrdz in mmpbsa.in

From: shiyu wang via AMBER <amber.ambermd.org>
Date: Wed, 13 Sep 2023 11:28:39 +0800

Dear all:


I am calculating the binding energy of membrane protein and its ligand
via MMPBSA.py.


However, in the AMBER manual file, the parameter mctrdz means is
explained "Membrane center in Å in the z direction. Default is 0 -
membrane centered at the center of the protein."


My question is : "the center of the protein" means "the center of the
whole protein" or "the center of the trans membrane domain of protein"?


thank you.
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Received on Tue Sep 12 2023 - 20:30:02 PDT
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