[gmx-users] WARNING no output error while dumping structures with trjconv from MD.trr

Tsjerk Wassenaar tsjerkw at gmail.com
Sat May 21 13:56:46 CEST 2016


Oh, you don't want to dump one frame! You want the frames beyond 25 ns. So
don't use -dump at all. You'll only get one frame though, using a spacing
of 1 ns.

Cheers,

Tsjerk
On May 21, 2016 13:53, "Tsjerk Wassenaar" <tsjerkw at gmail.com> wrote:

> Hi Antara,
>
> You indicate you want the frame at 27ns (-dump 27000), but that's not in
> the trajectory. The suggestion is to ask for a frame that is in, like -dump
> 25290
>
> Cheers,
>
> Tsjerk
> On May 21, 2016 13:09, "Antara mazumdar" <antara.mazumdar at igib.in> wrote:
>
> Dear gromacs users,
>
>    I was trying to dump structures from MD.trr using trjconv. The MD.trr
> has 0ns to 382ns of data. (i checked the MD.log file also).  However, when
> i try to dump structures beyond 25ns, with the following command :
> *gmx trjconv mpi -f MD.trr -dump 27000.000 -dt 1000 -s MD.tpr -b 20000.000*
>
>
> *it gives the following error :WARNING no output, last frame read at
> t=25290*
>
> I have also tried to check with gmxcheck but it only runs till 20ns.
>
> trjconv and or gmxcheck did not give any error with MD.xtc which was
> generated during the simulation.
>
> I require the MD.trr as i  need velocity and force information for my
> analysis.
>
> Kindly suggest something!!
> Kind Regards,
> Antara
>
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