File for psipred not found! Generating from scratch instead. picking fragments with options: add_pdbs_to_vall: chain: 0 cleanup: 1 exclude_homologs_by_pdb_date: 0 f: pep00.fasta fastafile: pep00.fasta frags: 1 homs: 1 id: pep0 n_candidates: 1000 n_frags: 200 old_name_format: 0 porter: 0 porterfile: psipred: 1 psipredfile: rundir: /shared/home/payal/Calpains/Peptide_Docking runid: pep00 sam: 0 samfile: torsion_bin: 0 -------------------------------------------------------------------------------- running psiblast for sequence: pep00.fasta [blastpgp] WARNING: posPurgeMatches: Due to purging near identical sequences, only the query is used to construct the position-specific score matrix [blastpgp] WARNING: a standard checkpoint file should have extension ".chk". [blastpgp] WARNING: posPurgeMatches: Due to purging near identical sequences, only the query is used to construct the position-specific score matrix [blastpgp] WARNING: posPurgeMatches: Due to purging near identical sequences, only the query is used to construct the position-specific score matrix Error: expected creation of pep00.200.9mers after running '/home/lyna/rosetta_workshop/rosetta/main/source/build/src/release/linux/3.10/64/x86/gcc/4.8/static/fragment_picker.static.linuxgccrelease @pep00_picker_cmd_size9.txt -j 1'!