Dear Rosetta community,
I am looking for a reason why my simulations stop before -nstruct is reached. This happens when I use rosettascripts.mpi.linuxgccrelease for some flexible docking. As many decoys don’t pass the Rosetta filters, I set -ntrials to 100.
And then, with:
I get exactly 500 decoys (which I anticipate), but for:
-nstruct 30 000