The AmberTools Manual has a good section on the cluster command in ptraj.
There is an example there and a good description of how to use the command.
Good luck!
-Bill
2010/5/24 Catein Catherine <askamber23.hotmail.com>
>
> Dear All,
>
>
>
> 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?
>
>
>
> Best regards,
>
>
>
> Catherine
>
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--
Bill Miller III
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-6715
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Received on Mon May 24 2010 - 10:00:04 PDT
