If I calculate hbond it won't give error information but the hbnum.xvg will be<br>
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cat hbnum.xvg<br>
<br>
# This file was created Sat Feb 18 08:44:34 2006<br>
# by the following command:<br>
# g_hbond -f nmwt.g87 -s nmwt.tpr -n index.ndx -num -hbm -a 120<br>
#<br>
# g_hbond is part of G R O M A C S:<br>
#<br>
# GRowing Old MAkes el Chrono Sweat<br>
#<br>
@ title "Hydrogen Bonds"<br>
@ xaxis label "Time"<br>
@ yaxis label "Number"<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 "Hydrogen bonds"<br>
@ s1 legend "Pairs within 0.35 nm"<br>
801
11 4<br>
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I'm expecting 800 rows of numbers which are
the number of hbonds as a function of time (800ps). But
it has only one row to give out the average number of hbonds per
timeframe 11.000 out of 330 possible. <br>
<br>
Best wishes<br>
Lydia<br>