On Sat, Feb 23, 2013, Ahmed Ayoub wrote:
>
> I'm trying to calculate the energy of the hydrogen bonds involved in the
> binding between two proteins. I need your help with these issues:
The Amber force fields don't have any concept of a "hydrogen bond
energy" that is separate from other terms. You are certainly welcome to
experiment with adding up certain terms to see if the results provide
insight. But what seems like insight to one person is likely to seem like
GIGO to the next.
...no doubt others will have different views here....dac
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Received on Sat Feb 23 2013 - 06:30:03 PST
