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Error when running global docking #10

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957-z opened this issue Oct 11, 2024 · 1 comment
Open

Error when running global docking #10

957-z opened this issue Oct 11, 2024 · 1 comment

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@957-z
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957-z commented Oct 11, 2024

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
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957-z commented Oct 11, 2024

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

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