On Sun, Oct 06, 2013, Asmit Bhowmick wrote:
>
> I wanted to know how amber ff99sb force-field accounts for the hydrogen
> bond energy in the energy function. Is it parameterized in the
> electrostatic term (coulombs law) or included as a separate term(I have
> seen a 12-10 term somewhere on the internet which talks about dealing with
> H-bonds)
H-bonds in Amber have no special terms, but are created by a combination of
electrostatics and unusally small Lennard-Jones radii.
In distant past, 10-12 terms were used, but they have not been used in Amber
force fields for more than 20 years.
...dac
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Received on Mon Oct 07 2013 - 05:30:06 PDT
