Hello,
I don't think the GAFF for DDM is a good choice, you might consider
GLYCAM force field, which is available with Amber 16.
If you like, you can also use this web sever to build your micelles:
http://micelle.icm.uu.se/index.html
All the best,
Qinghua
On 07/12/2017 02:26 PM, Meng Wu wrote:
> Dear All,
>
> I would like to simulate a micelle(n-Dodecyl-¦Â-D-maltopyranoside, DDM)in the water with Amber16, but I am not sure what force field should I apply, could I just use the GAFF?
>
> Any suggestions would be greatly appreciated.
> Thank you in advance!
>
> All the best,
> Wu Meng
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Received on Wed Jul 12 2017 - 06:00:05 PDT
