[gmx-users] Viewing gromacs .xtc trajectory 'Error reading timestep, file does not match format'

Mark Abraham mark.j.abraham at gmail.com
Thu Jun 25 16:23:41 CEST 2015


Hi,

You can use gmxcheck / gmx check to examine the file and perhaps get some
more information, but this sounds like something has mis-managed your file.
e.g. you didn't construct it how you think you did, or the (parallel) file
system upon which you ran mdrun is not reliable.

Mark

On Thu, Jun 25, 2015 at 3:34 PM Vidyalakshmi CM <vidyalakshmi.cm at gmail.com>
wrote:

> Dear All,
>
> I am trying to visualize the gromacs output .xtc trajectory on VMD. I am
> generating .xtc trajectory frames every 5 ps. The total simulation run time
> is 24195 ps which should give me 4839 frames (without any skip). However,
> when I load frames say 4000 to 4100, I get the error message 'Error reading
> timestep, file does not match format'.
>
> With a skip of 10, I find the trajectory loads only initial frames (~200
> frames out of more than 480 which is expected).
>
> I have used VMD for viewing .xtc trajectories previously and have never had
> this issue previously.
>
> Please help.
>
> Thanks and Best Regards,
> C.M.Vidyalakshmi
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