[gmx-users] Is the Amber14sb ff on the gromacs website actually amber14sb force field

[Quyen V. Vu]

​Hi,​



On Mon, Jun 25, 2018 at 8:20 AM Evelyne Deplazes <
evelyne.deplazes at curtin.edu.au> wrote:

> Hi gromacs users
>
> When doing pdb2gmx using the Ambersb14 download from the gromacs force
> field website (
> http://www.gromacs.org/Downloads/User_contributions/Force_fields)  it is
> labelled Amber99sb-ILDN and the reference matches the amber99sb_ILDN force
> field.
> Is the file downloaded from the website the correct Amber14sb folder with
> incorrect naming or is it actually the amber99sb_ILDN folder.  We also were
> unable to find any other source of the amber14sb force field on the
> internet to compare with or use.
> thanks
> Evelyne
>

The forcefield that you downloaded is amber14sb, the author was forgot to
rename the document.​

​I remember that there are also some missing parameters (for dihedral
angle) on this forcefield, you can search with keyword amber14sb on this
mailling list to find that missing parameter​
Best,
Quyen



> Dr. Evelyne Deplazes
> PhD (Computational Biophysics)
> Research Fellow
> School of Pharmacy and Biomedical Sciences
> Secretary, Association of Molecular Modellers of Australasia
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> Research
>
> Curtin University
> Tel | +61 8 9266 5685
>
> Email | evelyne.deplazes at curtin.edu.au<mailto:
> evelyne.deplazes at curtin.edu.au>
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