AMBER Archive (2004)

Subject: Re: AMBER: snapshots of MD trajectory

From: Guanglei Cui (cuigl_at_csb.sunysb.edu)
Date: Fri Aug 27 2004 - 10:27:20 CDT

You can use ptraj to extract snapshot and do cluster analysis. It's part
of amber suite.

Guanglei

Xin Hu wrote:

> Hello,
> I have a question about the analysis of MD trajectory from Amber 8. How
> can I extract all the snapshots (such as save as PDB file) from the MD
> trajectory, and generally, is there a way to cluster these ensembles of
> MD snapshot?
>
> Thank you very much for your help.
>
>
> Xin
>
>
> ---
>
>
>
>
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