On Tue, May 25, 2010, Catein Catherine wrote:
>
> I am trying to use ptraj to cluster the MD trajectories. What is the
> command line should I used? Are there any examples or tutorial can I
> refer to gain some idea how to do this?
This is discussed on pp. 113-115 of the AmberTools Users' Manual, which
includes an example. Don't be afraid to experiment with various options;
and you will have to consult Ref. 93 for details about the various
options.
....dac
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Received on Mon May 24 2010 - 10:00:05 PDT
