my understanding is that ff14ipq is specifically fit to QM data with water.
It is also not a polarizable force field. I don't know of any recent Amber
protein force fields that have true gas-phase charges, except the
polarizable ones. Yong Duan may be the right person to ask about this, I
think his group has been working on some models.
CS
On Thu, Mar 24, 2016 at 10:48 AM, Edwin Aponte <helbert2a.gmail.com> wrote:
> Hello,
>
> We want to predict peptide structures in vacuum, to calculate their
> collision cross sections and compare them with ion mobility spectrometry
> results. We want to use polarizable force fields and compare with ff14SB.
>
> Is it right to use ff14ipq in vacuum? Do you know any other polarizable
> force field that could be used in vacuum?
>
> Regards,
> Edwin.
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Mar 24 2016 - 09:30:08 PDT
