AMBER Archive (2007)

Subject: Re: AMBER: Les analyse

From: Wei Zhang (zweig_at_scripps.edu)
Date: Tue May 29 2007 - 09:26:28 CDT

Urszula Uciechowska wrote:

>Dear AMber useres,
>
>Could someone guide me how to analyse the results from my LES MD simulations in easy way?
>I am using the AMBER9 version. I was checking olso the old posts, the webpage
>(http://comp.chem.sunysb.edu/carlos) is not working any more or there is a new one?
>
>Thank you very much for any comments.
>
>Ula
>
>MSc.PhD Student
>Medicinal Chemistry Group
>University of Halle-Wittenberg
>
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>
Hi, You can use ptraj to split LES trajectories into normal
trajectories. Then you can
do any kind of analysis. There is a test case in directory
"amber9/test/ptraj" showing
how to do this.

Sincerely,

Wei
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