> I use ptraj to do hbond analysis for a trajectory of 82ns, the total frame is 820, the output is as follows,
> atom# :res.atom atom# :res.atom atom# :res.atom %occupied distance angle lifetime maxocc
> | 936 :60.OE2 | 1190 :74.HH12 1188 :74.NH1 | 97.32 2.776 ( 0.08) 15.53 ( 8.03) 38.0 ( 47.1) 210 |****.....**.*...
> .*...........*..*..*.*..*...*.**.|
> .....
> I total number of |****.....**.*....*...........*..*..*.*..*...*.**.|is 49, I don't understand why it is 49. What is the time interval?
The graphics are just a visual approximation; the entire time series is
not dumped but is condensed into the ~49 characters you see. Essentially
that hbond is nearly always formed...
--tec3
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Received on Mon Jan 11 2010 - 12:00:02 PST
