[gmx-users] trjcat issue

[Justin Lemkul]

On 5/28/15 4:43 AM, Giannis Gl wrote:
> Dear all,
>
> I tried to concatenate two trajectories using the comand
> trjcat -f Trajectory_total.xtc md26_out.xtc -o Trajectory_total_full.xtc
>
> The process ended normaly:
>
> Reading frame       1 time 3000310.000
>
> Summary of files and start times used:
>
>            File                Start time       Time step
> ---------------------------------------------------------
>       Trajectory_total.xtc        0.000 ps       10.000 ps
>               md26_out.xtc   3000300.000 ps       10.000 ps
>
> Reading frame       0 time    0.000
>
> Continue writing frames from Trajectory_total.xtc t=0 ps, frame=0
> Reading frame  314000 time 3140000.000    ->  frame 300000 time 3000000.000
> ps
> Reading frame       0 time 3000300.000
> lasttime 3.00029e+06
>
> Continue writing frames from md26_out.xtc t=3.0003e+06 ps,
> frame=300030
>   ->  frame 314720 time 3147200.000 ps     ->  frame 314030 time 3140300.000
> ps
>
> Last frame written was 314720, time 3147200.000000 ps
>
>
> But when I tried to see any frame after 30000300.000 ps
> I ended up with an error like
> Fatal error:
> Specified frame (time 30003000.000000) doesn't exist or file
> corrupt/inconsistent.
>
> What have I done wrong?
>

You included an extra zero in your time specification.  A frame at 30003000 
doesn't exist, but a frame at 3000300 should.

-Justin

-- 
==================================================

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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