CG_openmm is a python package for setup and thermodynamic analysis of coarse-grained foldamer replica exchange molecular dynamics simulations run using OpenMM.
For further details refer to the web-based documentation:
python setup.py install in the base directory.
To use structural analysis features, including native structure determination and calculation of bonded distributions, also install analyze_foldamers.
Testing your installation:
To test your installation, open a new Python session and type the command