Issue Dynamics with charmm36 -

Dear [Team/Support],

I am working with a system composed of several amino acids and I need to run molecular dynamics using the Production (Dynamics) option in Discovery Studio. Both the protein preparation and solvation steps complete successfully; however, when I launch the Standard Dynamics Cascade, I encounter the following error:

09-Dec-2025 16:44:35

HTTP request 'https://urania:9943/jobs/5FC4FB2B-5881-A84C-8F1D-D263CA39A9F2/results' to server 'urania' failed. 500 - Internal Server Error

HTTP Response body:

 

The job's server process halted unexpectedly

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CHttp::CheckResponseHeaderAsync: Pipeline Pilot exception rethrown

CHttp::internalOpen: Pipeline Pilot exception rethrown

CHttp::OpenEx: Pipeline Pilot exception rethrown

CRestHandler::InternalExecuteRestCall: Pipeline Pilot exception rethrown

CRestHandler::ExecuteRestCall (verb): Pipeline Pilot exception rethrown

CRestHandler::ExecuteRestCall (Hierarchical): Pipeline Pilot exception rethrown



 

I kindly ask for your support in resolving this issue so that I can successfully run the Standard Dynamics Cascade. I have also tried reducing the size of the water box, but the result remains the same.

Thank you in advance for your help.

Best regards,


Alessandro