When I applied 11 distance constraints, get from chemical cross-linking assay, into Protein-Protein docking, there is no output pose and also no error reported.
Here is the output log:
protocols.jd2.JobDistributor: poseinp_0001 reported failure and will retry
protocols.jd2.JobDistributor: poseinp_0012 reported failure and will retry
The maximum sum of all 11 constraints should be 9.5 REU. I don`t know whether it is too large. But when no constraint or only 1 constraint added, there are plenty of output poses. And among these output 100 poses, the "total_score" ranges from -62.304 to -90.282. It makes me to assume the energy barrier MC sampling can overcome in my case should be around 30REU. If so, why a max of 9.5 REU constraint can not be accepted ? (I chose '-low_res_protocol_only' mode)
There is another line in log :
protocols.docking.DockingProtocol: Scoretype: atom_pair_constraint score: 9.5, cutoff: 1
I don`t know what 'cutoff: 1' means and whether it results in the no output poses problem. How to change it ?
Thanks very much !
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too many constraints result in no output pose