> Can you please explain me regarding how I can interpret my result from as
> shown below (first two line of the output are only shown).
Hmmn, seems I need to update the manual.
> What does the number in the parenthesis beside the distance,angle values
> mean. Is it the deviation?
> What does lifetime and maxoccupancy give me?
>
> atom# :res.atom atom# :res.atom atom# :res.atom %occupied
> distance angle lifetime maxocc
> | 115 :1.O10 | 104 :1.H20 92 :1.O8 | 96.06 2.818 ( 0.21)
> 34.14 (28.58) 45.5 ( 72.3) 390 |....x.
> .*..*...........*.x*...**.**.........*.....|
The h-bond is formed for 96% of the simulation; average distance of 2.818
A with a 0.21 stddev. The lifetime is 45.5 frames (i.e. if you assume 1
ps between frames, the average lifetime of the h-bond is 45.5 ps; note
that this value will depend on the distance cutofff). Finally the maxocc
represents the longest time an h-bond was formed was 390 frames. You can
likely see this as fluctuations in the distance > the h-bond cutoff
specified. --tec3
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Received on Tue Jul 27 2010 - 10:30:05 PDT
