yes you can. you could also load both trajectories into cpptraj and do
clustering, and if you use the "splitframe" option you can get the
population for each cluster in each trajectory and directly compare.
On Wed, Jan 19, 2022 at 4:04 PM Reza Khayat <rkhayat.ccny.cuny.edu> wrote:
> Hi,
>
>
> I have a naïve question. Is it possible to compare the conformational
> states that a protein complex can adopt under two different conditions? If
> I have a trajectory for each condition, can I do PCA for each condition and
> compare the PCA results? Thanks.
>
> Best wishes,
>
> Reza
>
>
> Reza Khayat, PhD
> Associate Professor
> City College of New York
> Department of Chemistry and Biochemistry
> New York, NY 10031
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Received on Wed Jan 19 2022 - 13:30:03 PST
