Dear Amber Users
In case of protein-water system, I want to calculate the binding energy or
interaction energy of a single water molecule with all the protein atoms
and all other water molecules in a system. It's like evaluating the pair
interaction between two selected group of atoms.
Is there any inbuilt function in AMBER or any way to calculate the pair
interaction between two selected group of atoms.
From
Leena Aggarwal
University of Delhi
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Received on Sun Jan 27 2019 - 22:30:02 PST
