Subject: Autodock errors

From: "Hugo G. de Teran" <[email-masked]>
Date: Mon, 12 Nov 2001 12:01:50 +0100

Dear all,
When running autodock, I found the next problem:

DPF> ga_run 10          # do this many GA or LGA runs

NOTE: Command mode has been set.  Sorry, genetic algorithm-local search
cannot be performed.

DPF>
DPF> # Perform Cluster Analysis

DPF> analysis           # do cluster analysis on results

NOTE: Command mode has been set, so cluster analysis cannot be
performed.

>>> Closing the docking parameter file (DPF)...

________________________________________________________________________________

/usr/local/modelling/AutoDock_3.0/bin/sgi4D.IRIX64_6.5_R10000/autodock3:
NOW IN COMMAND MODE.

And The calculation stays on standby.
The parameters of the dpf are exactly the same to those of a previous
calculation that works fine. The only difference is that the
macromolecule is in other conformation (the sidechains), but the new
pdbqs, gpf, and grid maps are all ok. I don't know what it means
"Command mode has been set", but I did not introduce any new parameters.

Any ideas?
Thanks

--
Hugo G. de Teran Castañon
G. R. Informatica Biomedica
Institut Municipal d'Investigacio Medica - IMIM
C/ Dr Aiguader, 80, E-08003/ Barcelona (SPAIN)

Ph: +34 93 221 10 09 ext 2340
Fax: Fax: +34 93 221 3237

                    http://www1.imim.es/modeling/