okey thank you!! [?]
________________________________
De: Carlos Simmerling <carlos.simmerling.gmail.com>
Enviat el: dimecres, 14 de setembre de 2016 18:05:33
Per a: AMBER Mailing List
Tema: Re: [AMBER] Force field ff14SB
To add to Jason's correct reply, when you say "non-bonded interactions"
make sure to distinguish between 1-4 scaling factors for electrostatic and
for vdw interactions.
On Sep 14, 2016 12:00 PM, "Jason Swails" <jason.swails.gmail.com> wrote:
> 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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> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Wed Sep 14 2016 - 09:30:04 PDT
