[AMBER] Keeping input protein hydrogens?

From: Markus Metz <metma99.gmail.com>
Date: Mon, 10 May 2021 09:48:36 -0700

Dear all:
I am aware that it is recommended to remove any hydrogens from the original
pdb file in order to prevent any naming issues.
Nevertheless, is there a way to keep the input hydrogens?
I made an observation with the tyrosine OH group. It seems that amber tools
do not take the surroundings into account? Is this possible?
I am planning to use amber for a ligand-protein complex minimization and
would like to use a carefully prepared protein structure.
AMBER mailing list
Received on Mon May 10 2021 - 10:00:01 PDT
Custom Search