Re: [AMBER] PCA analysis of NM

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Tue, 26 Mar 2019 15:09:37 -0400

Hi,

You'll have to be a bit more specific about what you want, what you
tried, and exactly how it was not successful. At minimum we need the
exact commands and input you tried, the exact output/error
messages/warnings you recieved, the version of the program etc.

-Dan

On Mon, Mar 25, 2019 at 8:07 AM maya nair <mayasnair1.gmail.com> wrote:
>
> I have generated the files in Normal mode analysis of trajectories and got
> files such as complex.nmd, complex-hist.agr, complex_hist.gnun and the
> trajectories files for 3 PC components. I got the histogram from .agr file
> but I want to plot a scatterer plot for the data. Can anyone help me how
> can I do that.I tried with gnuplot but not successful. In the histogram
> what does the axes represent (is it PC vs frequency) and how to interpret
> that data.
> Thanks
> Maya
>
> --
> Maya S Nair
> Assistant Professor
> Department of Biotechnology
> IIT Roorkee
> India
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Received on Tue Mar 26 2019 - 12:30:02 PDT
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