[gmx-users] trjcat problem

Mark Abraham mark.j.abraham at gmail.com
Fri Aug 28 15:36:25 CEST 2015


Hi,

That's not an error. It's just letting you know something that seems
unusual that maybe you want to manage. Or ignore :-)

Mark

On Fri, Aug 28, 2015 at 3:34 PM pratibha kapoor <kapoorpratibha7 at gmail.com>
wrote:

> Dear all,
>
> I would like to concatenate different parts of my *.xtc files into one
> single file. But different parts have varying timesteps. Using trjcat I am
> getting following error:
>
> Reading frame       0 time    0.000
> # Atoms  273474
> Precision 0.001 (nm)
> Reading frame   34000 time 68000.000
> Timesteps at t=69100 don't match (2, 100)
>
> Timesteps at t=106600 don't match (100, 200)
> Reading frame   35000 time 121600.000
>
> As far as I can understand, it is due to difference in timesteps between
> these files. How can I rectify the problem?
>
> Thanks
> --
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