[gmx-users] how to obtain the hydrogen bond energy?

[lammps lammps]

Hi,

I used the OPLS-AA FF to simulate the PEO and water systems.  The are
hydrogen bond between PEO and water. I want to obtain the average energy of
these dydrogen bond. How can I do? Should I calculate the free energy?

Any idea is appreciated. Thanks in advance.

-- 
wende



-- 
wende
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