akiyamalab/MEGADOCK

Segmentation fault (core dumped)

steven0seagal opened this issue · 1 comments

Hi, I created docker version of megadock:cpu and run it in interactive shell and run
megadock -R data/1gcq_r.pdb -L data/1gcq_l.pdb

Later I tried to generate any structure just like in docs using

for i in `seq 1 2000`; do decoygen lig.${i}.pdb lig.pdb dock.out $i; cat rec.pdb lig.${i}.pdb > decoy.${i}.pdb; done

or just

decoygen output.out data/1gcq_l.pdb test.pdb 1 

And I am still getting Segmentation fault (core dumped)

What I am doing wrong ?

Hi,

I'm having the same issue myself... Tried building both CPU and GPU images of 4.1.3 and 4.1.4 with the same result. Running megadock-gpu does not cause the same issue...

Did you ever resolve this issue, @steven0seagal?