[gmx-users] gmx trjconv
Bratin Kumar Das
177cy500.bratin at nitk.edu.in
Tue May 28 18:58:43 CEST 2019
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.
> 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
> > -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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