ADL: Autodock4 (Fatal error)

mmooney05 at qub.ac.uk mmooney05 at qub.ac.uk
Tue Mar 11 08:58:30 PDT 2008


Hi ADL,
       For clarification could someone indicate how to dock a ligand into a 
RIGID macromolecule, using Autodock4. Any time I set the rigid filename I 
get an error 'flexible residues or hinge must be specified first'. I did 
Grid-->Macromolecule-->Choose and highlighted my macromolecule. Then it 
asks to save 'modified macromolecule file'. This is where I get confused, 
but is this the methodology?

Also, when I launch the docking job, it launches without any error and a 
few minutes later I get the following error output:

assertion "finite(avg)" failed: file "gs.cc", line 833
      6 [sig] autodock4 3824 C:\cygwin\usr\local\bin\autodock4.exe: *** 
fatal er ror - called with threadlist_ix -1 Hangup

I saw this error on ADL Archives but didn't come across a solution for it. 
I would be most grateful if anyone could offer any suggestions to fix this.

Many Thanx,
          Maura


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