On Wed, Sep 14, 2016 at 7:06 AM, Anna Cebrian Prats <Anna.Cebrian.uab.cat>
wrote:
> Hi amber users,
>
>
> I have a question about the ff14SB force field.
>
>
> I want to know, if the 1-4 non-bonded interactions scale value (1.2)
> instead of 2.0 used in the ff94 (old version) is also included in the
> ff14SB? if not, which electrostatic scaling factor automatically use this
> force field?
>
ff14SB uses the same scaling factor as ff94 -- 1.2. The value 2.0 was
used *before* ff94 I believe (ff94 is the root ancestor of the line of FFs
ff96, ff99, ff99SB, ff12SB, and ff14SB), and all of those force fields have
the same charges and electrostatic scaling factors.
HTH,
Jason
--
Jason M. Swails
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Received on Wed Sep 14 2016 - 09:30:03 PDT
