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openmm.md

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install

conda install -c omnia openmm

verify

python -m simtk.testInstallation

plumed install

ccmake .. -DOPENMM_DIR=/home/liyi/.conda/envs/env -DPLUMED_INCLUDE_DIR=/home/liyi/release/plumed2.3/include/plumed -DPLUMED_LIBRARY_DIR=/home/liyi/release/plumed2.3/lib -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda-8.0 -DCMAKE_INSTALL_PREFIX=/home/liyi/.conda/envs/env/

find the right path conda list openmm

plumed test

from openmmplumed import PlumedForce