[gmx-users] problem in making a trajectory

[Justin A. Lemkul]

On 6/16/12 6:48 AM, francesca vitalini wrote:
> Dear Gromacs Users,
>
> While making a trajectory connecting different gro files I got the following
> output which I don't understand.
>
> Continue writing frames from
> /home/cocktail2/vitalini/reverse_transformation_vacuum/300-166-160/300-166-160_annealing.gro
> t=1 ps, frame=0
> Last frame          0 time    0.000
> WARNING: Frames around t=1.000000 ps have a different spacing than the rest,
> might be a gap or overlap that couldn't be corrected automatically.
> Reading frames from gro file 'Protein', 15230 atoms.
> Reading frame       0 time    0.000
> WARNING: Couldn't find a time in the frame.
>
> Can anyone explain to me the implication of this warning message?
>

Trajectories need time information, .gro files don't have any.  In the absence 
of your trjcat command, I can only assume you're not using -settime to specify 
what time point to which each frame corresponds.  If that's not the case, please 
provide the command you are using.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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