yes and I do.<br>By the way the version of GROMACS I'm using is the 3.3.1, I forgot to specify that before.<br><br><br><div class="gmail_quote">2012/6/16 Justin A. Lemkul <span dir="ltr"><<a href="mailto:jalemkul@vt.edu" target="_blank">jalemkul@vt.edu</a>></span><br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div class="im"><br>
<br>
On 6/16/12 7:41 AM, francesca vitalini wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Dear Justin,<br>
<br>
this is my trjcat command<br>
<br>
/home/cocktail/vitalini/<u></u>gromacs_special/bin/trjcat -f<br>
/home/cocktail2/vitalini/<u></u>reverse_transformation_vacuum/<u></u>300-65-100/300-65-100_<u></u>annealing.gro<br>
/home/cocktail2/vitalini/<u></u>reverse_transformation_vacuum/<u></u>300-65-100/300-65-100_<u></u>annealing2.gro<br>
/home/cocktail2/vitalini/<u></u>reverse_transformation_vacuum/<u></u>300-65-100/300-65-100_min.gro<br>
/home/cocktail2/vitalini/<u></u>reverse_transformation_vacuum/<u></u>300-65-100/300-65-100_min1.gro<br>
-o<br>
/home/cocktail2/vitalini/<u></u>reverse_transformation_vacuum/<u></u>300-65-100/300-65-100_traj_<u></u>tot.xtc<br>
-settime -cat<br>
<br>
I'm using the settime command to have each structure at a different time step.<br>
If I was using it wrongly please correct me.<br>
<br>
</blockquote>
<br></div>
You should be prompted to then set a time value for each frame, is that not the case?<div class="HOEnZb"><div class="h5"><br>
<br>
-Justin<br>
<br>
-- <br>
==============================<u></u>==========<br>
<br>
Justin A. Lemkul, Ph.D.<br>
Research Scientist<br>
Department of Biochemistry<br>
Virginia Tech<br>
Blacksburg, VA<br>
jalemkul[at]<a href="http://vt.edu" target="_blank">vt.edu</a> | <a href="tel:%28540%29%20231-9080" value="+15402319080" target="_blank">(540) 231-9080</a><br>
<a href="http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin" target="_blank">http://www.bevanlab.biochem.<u></u>vt.edu/Pages/Personal/justin</a><br>
<br>
==============================<u></u>==========<br>
<br>
<br>
-- <br>
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</div></div></blockquote></div><br><br clear="all"><br>-- <br>Francesca Vitalini<br><br>PhD student at Computational Molecular Biology Group, <br>Department of Mathematics and Informatics, FU-Berlin<br>Arnimallee 6 14195 Berlin<br>
<br><a href="mailto:vitalini@zedat.fu-berlin.de" target="_blank">vitalini@zedat.fu-berlin.de</a><br><a href="mailto:francesca.vitalini@fu-berlin.de" target="_blank">francesca.vitalini@fu-berlin.de</a><br><br>+49 3083875776<br>
+49 3083875412<br><br>