On Mon, Jul 19, 2021, Anthony Nash wrote:
>
>I am trying to step through the bonded metal-binding centre tutorials given
>here: https://ambermd.org/tutorials/advanced/tutorial20/mcpb.php
I'll let Pengfei and Maria say more here, but this tutorial looks way out of
date. Basically, (as I understand it) you have to ignore all the material
on MCPB (which is built on top of MTK++/mtkpp): this capability was removed
from AmberTools some time ago. You need to follow the instructions for the
python version, MCPB.py.
Assuming that I am correct, we'll try to get this tutorial updated soon.
Thanks for pointing out the problem, and apologies for letting things get
out of date.
....dac
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Received on Mon Jul 19 2021 - 10:00:02 PDT
