[gmx-users] trjcat issue

Ebert Maximilian m.ebert at umontreal.ca
Mon Jun 1 18:05:06 CEST 2015


Hi,

try to set the time manually. It fixed the problem for me (-settime).

Max

> On May 28, 2015, at 4:43 AM, Giannis Gl <igaldadas at gmail.com> 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?
> -- 
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