[gmx-users] gmx trjconv

Alex alexanderwien2k at gmail.com
Tue May 28 14:40:03 CEST 2019

Dear all,
Any comment on this, please?

Thank you.

On Thu, May 23, 2019 at 10:02 AM Alex <alexanderwien2k at gmail.com> wrote:

> Dear GMX user,
> I have a 110 GB trajectory from which I would like to extract only the
> trajectory of the part of my interest, the rest is water. To do so, I use "
> echo 1 | mpiexec_mpt -n 1 gmx_mpi trjconv -f tot.xtc -s topol.tpr -o nonwater.skip4.xtc
> -skip 4". The extracting goes very slow unfortunately. I wonder if there
> is any other faster solution or suggestion to make it faster?
> Regards,
> Alexander

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