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OpenMM: Difference between revisions
→Preparing Python Virtual Environment
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This example is for the openmm/7.7.0 module. | This example is for the openmm/7.7.0 module. | ||
{{Commands|prompt=(ENV) [name@server ~] | |||
ml python | |ml python | ||
virtualenv env-parmed | |virtualenv env-parmed | ||
source env-parmed/bin/activate | |source env-parmed/bin/activate | ||
pip install parmed==3.4.3 netCDF4 | |pip install parmed==3.4.3 netCDF4 | ||
}} | |||
== Job submission == | == Job submission == | ||