[gmx-users] how to get basic trajectory information out trjcat

[Tsjerk Wassenaar]

Hi Maria,

try gmxcheck

Tsjerk

On Nov 21, 2007 10:25 AM, maria goranovic <mariagoranovic at gmail.com> wrote:

> Hi,
>
> Is there a utility which can output basic trajectory information like:
>
> - number of frames
> - frequency of frame writing
>
> I tried using trjcat on my trajectory which is 27 frames, each frame
> written every 2 ps.
> % trjcat -f temp.trr
>
> This is the output that I get
> ################################
> Summary of files and start times used:
>          File                Start time       Time step
> ---------------------------------------------------------
>                 temp.trr        0.000 ps        2.000 ps
>
> Back Off! I just backed up trajout.xtc to ./#trajout.xtc.1#
> Reading frame       0 time    0.000
> lasttime -12345
> Continue writing frames from temp.trr t=0 ps, frame=0
> Reading frame      20 time   40.000    ->  frame     20 time   40.000 ps
> Last frame written was 27, time 54.000004 ps
> ################################
>
> Questions:
>
> 1. Why does the last but one line in the output read the way it does ?
> 2. how can i prevent an output, and get only trajectory information ?
>
>
> Thank you
>
> -Maria
>
> --
> Maria G.
> Technical University of Denmark
> Copenhagen
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-- 
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623
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