Thanks everyone for the responses. I should have framed my question much more precisely. I am trying to use the template.c code of (gmx_4.0.7) and within this, I want to take care of PBC. To do this, I should be having the knowledge of box dimensions. How can this done?<div>
<br></div><div>I also know that the g_energy prints the box vector with the simulation time. But, trjconv -dump also writes the box vectors in the pdb file. </div><div><br></div><div>Chandan<br clear="all"><br>--<br>Chandan kumar Choudhury<br>
NCL, Pune<br>INDIA<br>
<br><br><div class="gmail_quote">On Thu, Dec 8, 2011 at 3:33 AM, Mark Abraham <span dir="ltr"><<a href="mailto:Mark.Abraham@anu.edu.au">Mark.Abraham@anu.edu.au</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
<div class="im">On 8/12/2011 4:36 AM, Chandan Choudhury wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<br>
Dear gmx_users,<br>
<br>
I am using gmx_4.0.7. I need to print the box vectors from the trajectory of a simulated system. How can this be achieved? Can someone help me out?<br>
</blockquote>
<br></div>
g_energy on the .edr file (assuming that the vectors actually vary).<span class="HOEnZb"><font color="#888888"><br>
<br>
Mark</font></span><div class="HOEnZb"><div class="h5"><br>
-- <br>
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