[gmx-users] gmx trjconv

Bratin Kumar Das 177cy500.bratin at nitk.edu.in
Tue May 28 18:58:43 CEST 2019


Hi,
    You can use trjcat

On Tue 28 May, 2019, 6:10 PM Alex, <alexanderwien2k at gmail.com> wrote:

> Dear all,
> Any comment on this, please?
>
> Thank you.
> Alexander
>
> 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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