I am running pre pack_example.sh while using FlexPepDocking. I have used almost the same commands and flags as what I have used in the example 2b1z (where 2b1z runs fine) on a new antibody-peptide pair, 2hfg, but I got the following error while running
FlexPepDocking.linuxgccrelease -database $PATH_TO_DB @../prepack_flags. Could someone point out what have I done wrong please?
ERROR: this_pose.total_residue() == residue_packstat_.size()
ERROR:: Exit from: src/protocols/toolbox/pose_metric_calculators/PackstatCalculator.cc line: 164
I was wondering if I have tested on a case where there are too many residues for a docking peptide, but as I shortened the peptide to only 9 residues the result is the same.
My test files and error log attached.
Many thanks in advance!!!