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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=[name@server ~] | {{Commands|prompt=[name@server ~] | ||
|ml python | | ml python | ||
|virtualenv env-parmed | | virtualenv env-parmed | ||
|source env-parmed/bin/activate | | source env-parmed/bin/activate | ||
}} | }} | ||
After activation of the environment | After activation of the environment install ParmEd and netCDF4 Python modules | ||
{{ | {{Commands|prompt=(env-parmed)[name@server ~] | ||
|pip install parmed==3.4.3 netCDF4 | | pip install parmed==3.4.3 netCDF4 | ||
| | |||
}} | }} | ||