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The apoa.sh model script is for a simple 8-processor job in NAMD. The multiple_images.sh script is to run 8 single-processor jobs in NAMD simultaneously, while the sequential-jobs-separately-submitted.sh script is for submitting a series of jobs in series, as would be done in aimless shooting, for example.

The qstatus script gives a summary of the state of all nodes in group0output of the qnodes command (as written, it considers only nodes with the property "group0"). Remove the ":group" argument to qnodes to use this on Quantum2.

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analysis
analysis

MD Analysis scripts

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