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Identifying the minimum free energy conformation based on binding energy values between two proteins #1603
Description
Dear Users,
I am new to PyEMMA. I want to use two features, one as the CA distance between two proteins and the tilt angles between two proteins. How to add these features?
How to identify the frame from the trajectory which corresponds to the minimum free energy value of the system.
Kindly suggest me. Any kind of help will be much appreciated.
Regards
Deepshikha Ghosh