Re: [AMBER] phosphorylated residues

From: Carlos Simmerling <carlos.simmerling.gmail.com>
Date: Tue, 19 Jul 2016 06:38:35 -0400

No, not yet.

On Jul 19, 2016 2:40 AM, "Neha Gandhi" <n.gandhiau.gmail.com> wrote:

> Dear mailing list,
>
> The leaprc.phosaa10 file mentions "We recommend that you do *NOT* use these
> parameters with the # ff14SB protein force field as the requisite atom
> types are not present and
> # the dihedral potentials will be mismatched. (The Simmerling group hopes
> to
> # release ff14SB-compatible parameters for phosphorylated amino acids later
> # in 2016.) Also note that the bond, angle, and dihedral terms are mostly
> # generic and taken from analogy with existing terms in parm99.dat. "
>
> I was wondering whether phosphorylated parameters compatible with ff14SB
> has been released?
>
> Regards,
> Neha
>
>
> --
> Regards,
> Dr. Neha S. Gandhi,
> Vice Chancellor's Research Fellow,
> Queensland University of Technology,
> 2 George Street, Brisbane, QLD 4000
> Australia
> LinkedIn
> Research Gate
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>
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Received on Tue Jul 19 2016 - 04:00:02 PDT
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