Subject: Problem with Autodock 3.0: ATOM_MAPS variable

From: [email-masked]
Date: Fri, 26 Jul 2002 11:56:49 -0400

Hello, this is my first posting.

I am having a problem when I run a calculation using acetyl-CoA, because
there are 7 atom types used, and the default for Autodock 3.0 is 6. This
causes autodock3 to crash, and I get the following (the path has been
edited):

---------------
/autodock3/bin/autodock3: ERROR: ERROR: 7 atom types declared in "A", S_line
"CANOPSH"; maximum allowed is 6.
Change "ATOM_MAPS" in "autocomm.h"
/autodock3/bin/autodock3: Aborting...

/autodock3/bin/autodock3: Unsuccessful Completion.
------------------

When I do change either ATOM_MAPS or MAX_MAPS (or both) in autocomm.h, the
compile fails. Any suggestions would be greatly appreciated.

I am running Redhat LINUX 7.3 on a dual AMD MP workstation.

Sincerely,
Chu Choi, Ph.D.
[email-masked]