Hi,
The question is a little vague, but I'll try to give as much info as I
can. Currently the only way I can think of is to calculate your
covariance matrix for CA atoms only, which will give you approximate
per-residue PC values for things like 'projection', 'modes fluct',
'modes displ', etc. It could be worth looking into expanding this
functionality in the future.
-Dan
On Tue, Feb 12, 2019 at 2:31 PM Fulbabu Sk <phd1701171005.iiti.ac.in> wrote:
>
> Dear Amber users,
> I have amber simulation trajectory and I want to calculate PC vs residue
> plot. How to calculate that ?
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Received on Wed Feb 13 2019 - 05:30:02 PST
