<div class="gmail_quote"><br>Hi ALL,<br><br>I tried to calculate the helix tilt of a single helix (TM5) among 7 helices using g_bundle. In the index file I defined the two groups (top & bottom) as the C-alpha of the first 5 and last 5 residues of TM5 respectively. But in the bun_tilt.xvg file I am getting the values as:<br>
<br>---------------------------------------------------------------------------------------------------------------------------------------<br># This file was created Thu May 20 15:29:50 2010<br># by the following command:<br>
# g_bundle -f prot.xtc -s prot.tpr -n TM5_top_bot.ndx -na 1 <br>#<br># g_bundle is part of G R O M A C S:<br>#<br># GRowing Old MAkes el Chrono Sweat<br>#<br>@ title "Axis tilts"<br>@ xaxis label "Time (ps)"<br>
@ yaxis label "(degrees)"<br>@TYPE xy<br> 0 0<br> 2 0.0197823<br> 4 0<br> 6 0.0197823<br> 8 0<br> 10 0<br> 12 0.0197823<br> 14 0<br>
16 0.0197823<br> 18 0<br> 20 0.0279765<br> 22 0<br> 24 0<br> 26 0.0197823<br> 28 0<br> 30 0<br> 32 0<br> 34 0<br>
36 0<br> 38 0.0197823<br>----------------------------------------------------------------------------------------------------------------------------------------------------------------------------<br>
And when plotted it gives a blank plot. Why it is coming like this? Am I doing anything wrong? Any suggestion is welcome.<br>The contents of the index file is:<br><br>[ top ]<br>1844 1850 1858 1866 1878 1896 1904 1913 1922 1940 1948 1956 1965 1974 1983<br>
1991<br>[ bottom ]<br>2000 2008 2014 2024 2032 2041 2050 2067 2079 2092 2101 2109 2118 2124 2132<br>2138 2146<br><br><br>Regards,<br><font color="#888888"><br>Anirban<br>
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