[gmx-users] trjcat finds different spacing among trajectories

[Mark Abraham]

Does gmxcheck on all the *part.xtc files give you the time ranges you
expect? What is your simulation time step and output period?

Mark


On Fri, May 2, 2014 at 5:30 PM, Giuseppina La Sala <
giuseppina.lasala2 at unibo.it> wrote:

> Hi GMX-Users,
>
> I'm trying to use trjcat command to join very large trajectories:
> trjcat -f md_0_1.part*.xtc -s md_0_1.tpr -o all.xtc
>
> but I found this error while gmx was reading the frames:
>
>  Reading frame    2000 time 351750.000    ->  frame  70350 time 351750.000
> ps ->  frame  70430 time 352150.000 ps
> WARNING: Frames around t=352190.000000 ps have a different spacing than
> the rest,
> might be a gap or overlap that couldn't be corrected automatically.
> Reading frame       0 time 396625.000
> lasttime 352190
>
> Continue writing frames from md_0_1.part0015.xtc t=396625 ps, frame=70439
> Reading frame       1 time 396630.000    ->  frame  70440 time 396630.000
> ps
>
> I run gmxcheck and it didn't give me any warnings.
> The version of Gromacs that I'm using is 4.6.3.
>
> Does anyone know what could be the root of the problem?
>
> Cheers
>
> Josephine
>
>
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>