ADL: assertion "finite(avg)" failed

Antonio Cavazzuti acavazzuti at ipb.csic.es
Mon Jan 28 12:28:37 PST 2008


Hi,
I work under Cygwin installed on Windows XP. I prepare ligand and receptor
using ADT 1.5 , I move output files to autogrid4.exe folder and I start the
job from the command line. I move output files to ADT folder and I obtain
.dpf. I finally move the .dpf file in the directory c:/cygwin/usr/local/bin
where autodock4.exe is and I start autodock4 job from command line.
Autodock4 hangup after 20' (pentium4 2Ghz) with following message:

assertion "finite(avg)" failed: file "gs.cc", line855
       8 [sig] autodock4 3884 C:\cygwin\usr\local\bin\autodock4.exe: *** fatal
error - called with threadlist_ix -1
Hangup

How solve this problem?

Before reaching this point, I had to correct .dpf file that was looking for a
"_rigid.A.map" (this map was not generated by autogrid4), by deleting the
correspondent line. Maybe this is the cause of previous problem?

Somebody can indicate me how avoid to skip from autodock folder to ADT folder
cutting and pasting files?

To conclude, somebody can indicate me how correctly locate Cygwin, Python2.5,
ADT 1.5 and Autodock4/Autogrid4 folders under WinXP, and what is the corret
installing sequence? 

Thank you 
Antonio



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