[Dock-fans] Error from amberize_complex; examine amberize_complex.1.out

[Francesco Pietra]

If I am allowed to interfere, you probably want to comment out 

AMBERHOME ...
PATH=$PATH:$AMBERHOME...

in your .bashrr (or where they were set) in order to use Amber rescore
fp

--- Scott Brozell <sbrozell at scripps.edu> wrote:

> On Wed, 12 Mar 2008, "Xin Hu [Contractor, Foreign National]"
> <xhu at bioanalysis.org>
> > 
> > I installed the Dock6.2 on a linux  (with configure gnu). After 
> > compliation, I did
> > the test according the manual, but got the error like that:
> > 
> > ==============================================================
> > diffing secondary7_secondary_scored.mol2.save with 
> > secondary7_secondary_scored.mol2
> > PASSED
> > ==============================================================
> > make[2]: Leaving directory
> > `/home/xhu/program/dock6/install/test/primary_secondary_score'
> > cd amber_score_181l && make test
> > make[2]: Entering directory 
> > `/home/xhu/program/dock6/install/test/amber_score_181l'
> > ../../../bin/prepare_amber.pl lig.mol2 181l.pdb
> > Coordinate and parameter files for the Receptor 181l generated.
> > The AMBER score tagged mol2 file lig.amber_score.mol2 generated.
> > Splitting the multiple Ligand mol2 file into single mol2 files.
> > The single mol2 files will have the prefix: lig
> > Generating coordinate and parameter files with AM1-BCC charges.
> > This may be time consuming.
> > Ligand lig.1 has total charge 0
> > Coordinate and parameter files for the Ligand lig.1 generated.
> > 
> > Error from amberize_complex; examine amberize_complex.1.out
> > make[2]: *** [amberize] Error 2
> > make[2]: Leaving directory 
> > `/home/xhu/program/dock6/install/test/amber_score_181l'
> > make[1]: *** [dock] Error 2
> 
> Did you examine amberize_complex.1.out ?
> 
> Scott
> 
> 
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