[gmx-users] how to generate tng format trajectory?

Alessandra Villa alessandra.villa.biosim at gmail.com
Tue Feb 4 09:38:40 CET 2020


Hi,

On Mon, Feb 3, 2020 at 4:39 PM Albert <mailmd2011 at gmail.com> wrote:

> Hello all,
>
> I just learned that the tng trajectory format file is even more smaller
> than the .xtc format file. I am just wondering how shall we specify the
> option in the .mdp file so that "gmx mdrun" could generate the .tng
> format trajectory accordingly?
>
>
You do not need any specific mdp parameter to generate tng file, it should
be enough to specify the file format when running gmx mdrun
   gmx mdun -s topol.tpr -x traj.tng

Best regards
Alessandra





> thanks a lot
>
> albert
>
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