Hi Maria,<br><br>try gmxcheck<br><br>Tsjerk<br><br><div class="gmail_quote">On Nov 21, 2007 10:25 AM, maria goranovic <<a href="mailto:mariagoranovic@gmail.com">mariagoranovic@gmail.com</a>> wrote:<br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Hi,<br><br>Is there a utility which can output basic trajectory information like:<br><br>- number of frames<br>- frequency of frame writing<br><br>I tried using trjcat on my trajectory which is 27 frames, each frame<br>written every 2 ps.
<br>% trjcat -f temp.trr<br><br>This is the output that I get<br>################################<br>Summary of files and start times used:<br> File Start time Time step<br>---------------------------------------------------------
<br> temp.trr 0.000 ps 2.000 ps<br><br>Back Off! I just backed up trajout.xtc to ./#trajout.xtc.1#<br>Reading frame 0 time 0.000<br>lasttime -12345<br>Continue writing frames from temp.trr
t=0 ps, frame=0<br>Reading frame 20 time 40.000 -> frame 20 time 40.000 ps<br>Last frame written was 27, time 54.000004 ps<br>################################<br><br>Questions:<br><br>1. Why does the last but one line in the output read the way it does ?
<br>2. how can i prevent an output, and get only trajectory information ?<br><br><br>Thank you<br><br>-Maria<br><br>--<br>Maria G.<br>Technical University of Denmark<br>Copenhagen<br>_______________________________________________
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</a><br></blockquote></div><br><br clear="all"><br>-- <br>Tsjerk A. Wassenaar, Ph.D.<br>Junior UD (post-doc)<br>Biomolecular NMR, Bijvoet Center<br>Utrecht University<br>Padualaan 8 <br>3584 CH Utrecht<br>The Netherlands<br>
P: +31-30-2539931 <br>F: +31-30-2537623