Hello,
I have one question related to PCAs. The task I am currently working on is comparing an wild-type enzyme vs its mutant. I conducted 3x 500 ns replicates of each system for sampling purposes and concatenated the trajectories into a 1.5 microsecond trajectory for each system.
1.
When conducting a PCA for these two, is it acceptable to perform the PCA on one and PCA on the other separately and then plot the PC1 vs PC2 from their respective pca.dat files on one graph? By comparing the overlap, I can see the space not explored by either system. Is this the right way to compare the two or do I need to concatenate both trajectories together and perform one PCA on a giant joint wt-mutant trajectory for analysis?
Thanks!
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Received on Thu Dec 05 2024 - 07:00:02 PST
