<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div>Dear Justin Thank you for your previous reply </div><div><span style="font-weight: bold; color: rgb(255, 255, 0);"><span style="color: rgb(255, 0, 255);">How to solve error obtained when i invoke command as follows</span></span><br>
./setupUmbrella.py summary_distances.dat 0.2 run-umbrella.sh &> caught-output.txt<br>
I got error as follows in Caught_output .txt
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<div>File "./setupUmbrella.py", line 182, in <module><br>
out = main()</div><div>File "./setupUmbrella.py", line 150, in main<br>
distance_table = readDistanceFile(distance_file)</div><div>File "./setupUmbrella.py", line 49, in readDistanceFile<br>
value = float(columns[1])<br>
IndexError: list index out of range <br></div><div><br></div>
<div>As you mailed me in previous mail i showed the dist.xvg file also i have obtained this .xvg file through your Distance.pl script It contains as follows</div><div> </div><div style="font-weight: bold;">This file was created Sun Jun 17 19:23:40 2012<br># by the following command:<br># g_dist_d -s 0.154protopull.tpr -f conf143.gro -n index3.ndx -o dist143.xvg <br>#<br># g_dist_d is part of G R O M A C S:<br>#<br># Great Red Owns Many ACres of Sand <br>#<br>@ title "Distance"<br>@ xaxis label "Time (ps)"<br>@ yaxis label "Distance (nm)"<br>@TYPE xy<br>@ view 0.15, 0.15, 0.75, 0.85<br>@ legend on<br>@ legend box on<br>@ legend loctype view<br>@ legend 0.78, 0.8<br>@ legend length 2<br>@ s0 legend "|d|"<br>@ s1 legend "d\sx\N"<br>@ s2 legend "d\sy\N"<br>@ s3 legend "d\sz\N"<br> 143.0000000 0.5957624 0.0363277
-0.0382985 0.5934192</div><div><br></div><div><span style="font-weight: bold;">Like above several dist file i have obtained as dist25.xvg, dist130.xvg, dist158.xvg </span>Also i have o<span style="font-weight: bold; color: rgb(255, 0, 0);">ne doubt What is the difference between .xvg file obtained by both distance.pl script and g_dist tool Can i use the .xvg file obtained through g_dist command as summary_distance.dat by mere renaming .xvg file </span><br></div><div><span style="font-weight: bold; color: rgb(255, 255, 0);"> <span style="color: rgb(255, 0, 255);"></span></span></div><div><br></div><div>Thanks in advance <br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div></div></body></html>