On Mon, Jan 30, 2006, Gustavo Pierdominici Sottile wrote:
> I would like to know the units of lifetimes when
> ptraj is used with the command hbond. I think that the units are ps, but I
> am not sure. I would also like to know if the lifetime depends on the
> frequency of the sampling or not
I think the lifetimes are in units of the time gap between snapshots in your
trajectory file. That is, if the snapshots are saved every picosecond, then
the lifetimes are in picoseconds; if you saved every two picoseconds,
lifetimes would be reported in those units.
I hope someone will step up to the plate and update the ptraj documentation
on this point (for other commands there can be similar questions). Also,
of course, correct my answer if I am wrong.
...dac
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Received on Thu Feb 02 2006 - 06:10:06 PST
