AMBER: h-bond

From: Gustavo Pierdominici Sottile <gsottile.unq.edu.ar>
Date: Fri, 27 Jan 2006 11:59:07 -0300

Dear list,
            I would like to know if the units of lifetimes when analizing
hbond with ptraj are ps.

atom#:res.atom atom#:res.atom atom# :res.atom %occupied distance angle
lifetime maxocc
732 :51.CJ | 734 :51.HJ2 1022 :70.OD2 | 14.41 2.998 ( 0.09)
20.52 ( 7.61) 1.5 ( 0.9)

Moreover I would like to know how it is calculated, since it surprises me
that the information about the frequency of the sampling is not needed or is
read from the trajectory file

Thanks in advance
Gustavo


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Received on Sat Jan 28 2006 - 06:10:05 PST
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