Re: Multi-dimensional PMF

From: Jérôme Hénin (jerome.henin_at_ibpc.fr)
Date: Fri Jul 27 2018 - 10:16:44 CDT

What I meant between the lines is, don't do 5D PMFs.

There are no ready-made tools to do the projection - if you get into this
you'll have to be ready to write your own tools, and know the corresponding
theory.

Jerome

On Fri, 27 Jul 2018 at 16:59, McGuire, Kelly <mcg05004_at_byui.edu> wrote:

> It's been a while since I've dealt with projections. Any suggestions on
> programs or the process you use to do that?
>
> Kelly L. McGuire
> PhD Scholar
> Biophysics
> Department of Physiology and Developmental Biology
> Brigham Young University
> LSB 3050
> Provo, UT 84602
>
> ------------------------------
> *From:* Jérôme Hénin <jerome.henin_at_ibpc.fr>
> *Sent:* Friday, July 27, 2018 1:45:20 AM
> *To:* Namd Mailing List; McGuire, Kelly
> *Subject:* Re: namd-l: Multi-dimensional PMF
>
> Hi Kelly,
>
> the only way to plot 5D data is to project it into lower-dimension spaces--0000000000007f344a0571fc9a85--

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