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 - 09:30:04 PDT
