Thank you!
On Wed, Mar 23, 2022 at 12:28 PM Carlos Simmerling <
carlos.simmerling.gmail.com> wrote:
> ff14SB will work without any changes as long as your input coordinates are
> D form.
> For an example, see
>
> Experimental and Computational Analysis of Protein Stabilization by
> Gly-to-D-Ala Substitution: A Convolution of Native State and Unfolded State
> Effects. Zou, J., Song, B., Simmerling, C., Raleigh, D., Journal of the
> American Chemical Society, 2016, 138 (48), 15682–15689
>
> On Wed, Mar 23, 2022, 9:06 AM Daniel Konstantinovsky <
> daniel.konstantinovsky.yale.edu> wrote:
>
> > Hi Amber,
> >
> > I am doing simulations of L- and D- amino acid proteins with ff14sb. I
> know
> > that ff14sb doesn't include CMAP corrections, but I want to make sure
> there
> > is nothing I need to flip dihedral-wise to correctly simulate D-amino
> acid
> > proteins. Is there anything that needs to be flipped?
> >
> > Thank you!
> > Dan
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> >
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Received on Wed Mar 23 2022 - 10:00:03 PDT
