Dear Rosetta community,
I would kindly ask you about possible reasons of AbInitio Relax failure after application of all filters.
It was decided to do an extensive run of AbRelax application with 'use_filters true' option to generate 1000 constructs (nstruct) in hope, that some of them will pass all filters and will have a nature-like fold structure.
I noticed, that when all 3 filters are applied during the construct trial, the AbRelax application fails with such an error:
Finished Abinitio
protocols.simple_filters.AbinitioBaseFilter: {0} apply filter: RGFilter
protocols.simple_filters.AbinitioBaseFilter: {0} apply filter: Contact-Order Filter
protocols.simple_filters.AbinitioBaseFilter: {0} apply filter: SheetFilter
AN INTERNAL ERROR HAS OCCURED. PLEASE SEE THE CONTENTS OF ROSETTA_CRASH.log FOR DETAILS.
terminate called after throwing an instance of 'std::out_of_range'
what(): map::at
If only 1 filter is used (namely, "RGFilter"), then everything is OK.
Would anyone be kind to tell me the possible reason of such a fail and how to solve this issue, please?
In addition, I tracked down the negative correlation between the 'kill_hairpin_frequency' and appearance rates of such all-3-filters application.
I.e., the higher 'kill_hairpin_frequency' value, the more constructs AbRelax tends to produce before the usage of all-3-filters to the generated construct and consequent failure.
I hope, that these extra details may shed some light on this problem.
I will be sincerely grateful for your response, and I am looking forward to it.
Best regards,
Corvin.