[gmx-users] can we analyse Gromacs trajectory with jupyter?

[Albert]

Great to hear that. Hopefully it can support  .xtc format soon, since 
the .trr file is really huge.


On 06/24/2016 04:36 PM, Hai Nguyen wrote:
> Hi,
>
> cpptraj is able to read TRR format too. cpptraj can read a pdb file as
> Topology, so no need to do any conversion to " an equivalent AMBER topology"
> I hope that Dan Roe (cc) can find a time slot to implement xtc and  tng
> parser soon.
>
> @Albert: meanwhile, you can absolutely use pytraj (python interface of
> cpptraj)<https://github.com/Amber-MD/pytraj>  and NGLView
> <https://github.com/arose/nglview>  for your gromacs data analysis and
> visualization (need to convert to .trr format thought).
>
> cheers
> Hai
>
>