On Sun, Jan 22, 2017, Stefan Ivanov wrote:
>
> What I meant was "What are the reported per-residue internal, VDW, and
> electrostatic energies?" Are they also averages of dV/dlambda for the
> given lambda value? If so, I would need to integrate the per-residue
> values between 0 and 1 to get meaningful numbers, correct?
Yes...dac
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Received on Mon Jan 23 2017 - 05:00:02 PST
