ff99SB and f14SB (preferred) were both designed and tested to work with D
amino acids without modification. There is no need to develop new
parameters or change inputs, as long as your coordinates are the D isomer.
I cannot say about other options.
On Wed, Mar 11, 2015 at 9:45 AM, Neha Gandhi <n.gandhiau.gmail.com> wrote:
> Dear list,
>
> I am reiterating question which was posted several years ago regarding
> simulation of D-amino acids. I am trying to parameterise a molecule with
> D-Arginine side-chain with ff10. Do i need to change sign of the angles
> around C-alpha to take into account chirality?
>
> Many thanks,
> Neha
>
> --
> Regards,
> Dr. Neha S. Gandhi,
> Curtin Research Fellow,
> School of Biomedical Sciences,
> Curtin University,
> Perth GPO U1987
> Australia
> LinkedIn
> Research Gate
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Received on Wed Mar 11 2015 - 07:00:08 PDT
