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meld

Modeling with limited data

Prerequisites

VirtualEnv Recommended

  • pip install virtualenv
  • mkdir VirtualEnv
  • cd VirtualEnv
  • virtualenv --system-site-packages Meld
  • source Meld/bin/activate
  • If needed: pip install netCDF4
  • If needed: pip install mpi4py
  • Install OpenMM_Meld.
  • Change to Meld install directory
  • python setup.py install

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Modeling with limited data

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  • Python 100.0%