[AMBER] Comparing trajectories

From: Reza Khayat <rkhayat.ccny.cuny.edu>
Date: Wed, 19 Jan 2022 21:04:17 +0000


I have a na´ve 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 Khayat, PhD
Associate Professor
City College of New York
Department of Chemistry and Biochemistry
New York, NY 10031
AMBER mailing list
Received on Wed Jan 19 2022 - 13:30:02 PST
Custom Search