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OpenMM: Difference between revisions
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python openmm_input.py | python openmm_input.py | ||
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Here openmm_input.py is a python script loading amber files, creating the OpenMM simulation system, setting up the integration, and running dynamics. Example openmm_input.py is available [https://mdbench.ace-net.ca/mdbench/idbenchmark/?q=129 here]. | |||