# For an 8mer macrocycle, 100,000 samples is perhaps two to four times the minimum needed: -nstruct 100000 -cyclic_peptide:link_all_cys_with_paraBBMB true -extra_res_fa crosslinker/1.4_bisbromomethylbenzene.params # The sequence file: -sequence_file inputs/seq.txt # Options configuring the kinematic closure step and relaxation steps: -cyclic_peptide:genkic_closure_attempts 1000 -cyclic_peptide:genkic_min_solution_count 1 -cyclic_peptide:min_genkic_hbonds 1 -cyclic_peptide:min_final_hbonds 1 -cyclic_peptide:fast_relax_rounds 20 -ex1 -ex2 -extrachi_cutoff 5 -symmetric_gly_tables true -score:weights ref2015.wts