[gmx-users] another trjconv issue

Mark Abraham mark.j.abraham at gmail.com
Fri Aug 21 22:26:27 CEST 2015


Hi,

Another feature of these old tools is that they do operations in an order
that suited the original author's need. If you need the other order, all
you can do is make two separate calls.

Mark

On Fri, 21 Aug 2015 13:00 Matthias Ernst <
matthias.ernst at physik.uni-freiburg.de> wrote:

> I found another strange thing with trjconv. Still working on my large
> trajectories, I want to cut them into smaller pieces and reset the
> times, like suggested by Mark:
> trjconv_mpi -f md.xtc -b 16000000 -e 17000000 -o t_t0.xtc -t0 0
>
> But the output file contains only every second frame.
> If I specify -skip, 1 is added to the stride (like -skip 5 produces 0,
> 6, 12, ...)
> If I do in two steps, first cutting, saving trajectory and then -t0,
> everything seems to be correct.
>
> Seems to me like a bug or did I misunderstand something...?
>
> Thanks,
> Matthias
>
>
> On 08/20/2015 04:27 PM, Mark Abraham wrote:
> [...]
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