Re: [AMBER] Assistance Needed with PCA at Different Temperatures in AMBER

From: Carlos Simmerling via AMBER <amber.ambermd.org>
Date: Mon, 12 Aug 2024 17:29:28 -0400

It will help if you can share what information you want to learn, otherwise
we can only direct you to the manual and tutorials. What is it about your
data that you want to understand using PCA at different temperatures?

On Mon, Aug 12, 2024, 2:37 PM ABDELATIF MESSAOUDI via AMBER <
amber.ambermd.org> wrote:

> Dear AMBER Users,
>
>
>
> To address a question from a reviewer regarding Principal Component
> Analysis (PCA) at different temperatures, I followed the tutorial available
> at the following link:
>
> https://ambermd.org/tutorials/advanced/tutorial41/
>
> I have attached my input file, Python script, and the resulting image for
> your reference.
>
>
>
> Could you please advise if this approach is correct, or if there is
> anything else I should consider?
>
>
>
> Thank you for your assistance.
>
>
>
> Best regards,
>
>
>
> Abdelatif Messaoudi
>
> University of Batna 1,Algeria
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>
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Received on Mon Aug 12 2024 - 15:00:02 PDT
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