Dear users,<br><br>Any suggestions?<br><br>Thank you<br>M. Kavyashree<br><br><div class="gmail_quote">On Thu, Jun 23, 2011 at 10:38 AM, Kavyashree M <span dir="ltr"><<a href="mailto:hmkvsri@gmail.com">hmkvsri@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">Dear users, <br>
<br>
In one of the simulations while calculating box dimensions<br>
using g_energy this output was obtained - <br>
Statistics over 50000001 steps [ 0.0000 through 100000.0000 ps ], 3 data sets<br>
All statistics are over 1978700 points<br>
<br>
Energy Average Err.Est. RMSD Tot-Drift<br>
-------------------------------------------------------------------------------<br>
Box-X 0.0453229 1.8 0.637535 -9.93022 (nm)<br>
Box-Y 0.0453229 1.8 0.637535 -9.93022 (nm)<br>
Box-Z 0.0320482 1.3 0.450805 -7.02173 (nm)<br>
<br>
but the dimensions of the box is different. plot attached.<br>
I am not able to figure out why only 1978700 data point are considered.<br>Kindly give some suggestions.<br><br>Thank you<br>with regards<br><font color="#888888">M.Kavyashree<br>
</font></blockquote></div><br>