[gmx-users] Deuterium atoms

[Hermann, Johannes]

Thanks Vytautas, might solve it! And additionally change the mass in the 
force field.


On 21.06.2018 09:24, Vytautas Rakeviius wrote:
> Just change all D to H in structure file IMHO.
>   
>
>      On Wednesday, June 20, 2018, 5:39:18 PM GMT+3, Hermann, Johannes <J.Hermann at lrz.tu-muenchen.de> wrote:
>   
>   Dear all,
>
> is there any force field in gromacs (or elsewhere) which can handle
> deuterium atoms?
>
> All the best
>
> Johannes
>

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