nevermind its just the cosine<br><br><div class="gmail_quote">On Wed, May 4, 2011 at 3:36 PM, jeremy adler <span dir="ltr"><<a href="mailto:jeremyeadler@gmail.com">jeremyeadler@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
Hi,<br><br>When i used g_sgangle, i specified 2 index groups of 3 atoms each and gave the -oa flag to get the angle between them. I got two columns of output (besides the time index) - one with much larger values on the right (they look reasonable) and one with much smaller values on the left. what is the difference between these two outputs?<br>
# This file was created Wed May 4 15:25:23 2011<br># by the following command:<br># g_sgangle -f ../../exp.1/fullsystem.md.restart.1.xtc -s ../../exp.1/fullsystem.md.restart.1.tpr -n helixorient.ndx -oa exp1.cross.xvg<br>
#<br># g_sgangle is part of G R O M A C S:<br>#<br># Gnomes, ROck Monsters And Chili Sauce<br>#<br>@ title "Angle between aproa and aprob"<br>@ xaxis label "Time (ps)"<br>@ yaxis label "Angle (degrees)"<br>
@TYPE xy<br> 0 0.803241 36.5593<br> 150 0.995972 5.14453<br> 300 0.909836 24.5173<br><br><br>thanks <br><font color="#888888"><br>Jeremy<br>
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