ADL: AutoDock 4.2.3 vs 4.2.6
Elghobashi-Meinhardt, Nadia, Dr.
n.elghobashi-meinhardt at campus.tu-berlin.de
Thu May 14 04:58:10 PDT 2020
I have autogrid/dock 4.2.3 installed on my work Linux machine
and 4.2.6 on my Mac.
When I run autogrid/dock -v I see only on 4.2.6 that
it was compiled for double precision.
Is there any way to check compilation flags on 4.2.3?
Using the same input script, I am getting totally different binding energies
on the two machines (with 4.2.3 and 4.2.6, respectively)
and wondering what the reason is.
Thanks for any suggestions,
More information about the autodock