I'm new to rosetta and trying to cluster 100 pdb structures using cluster and get a most common one. What should be the expected output files?
I read the cluster command user guide that the script need first 400 structures as the starting point, so is it because my 100 structures is too less, which cause the problem?
I tried it twice:
A) my flag
-in:file:l 5S-100pdb-list (where I put the name list of all the 100 pdb structures)
ERROR: Illegal attempt to score with non-identical atom set between pose and etable
ERROR:: Exit from: src/core/scoring/etable/EtableEnergy.cc line: 75
B) my flag
my output files are another 100 pdb files named c. XXX.0.pdb. But I expect it to be one or two structures that represent the most common ones.
It will be great if you can give me some suggestions.