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Graylab / AlphaRED

AlphaFold-initiated replica exchange protein docking
MIT License
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Error when running global docking #10

Open 957-z opened 1 month ago

957-z commented 1 month ago

Hello, when I was running "rosetta_scripts.mpi.linuxgccrelease @flags_replica_dock", the following errors came up: No protocol specified

[ ERROR ]: An issue with your Rosetta run was detected Please correct the following issue and retry:

Mover encounter_cst not found in map

could you give me some advice to solve it?

957-z commented 1 month ago

For above error, I just deleted the "encounter_cst" line in the dock.xml, but then run into another problem: For HamiltonianExchange the number of exchange cells 3 has to be consistent with the option -run:n_replica 1