20 June 2022 0 3K Report

Dear all,

I am trying to analyze my simulation results with PCA, using MDAnalysis.

When I tried to visualize the displacement vector, calling project_single_frame it showed AttributeError. I looked up the source code but still do not understand how to solve it. Can anyone tell me how to visualize the displacement vector? Preferably with MDAnalysis.

Same for the inner product matrix, I cannot plot it with MDAnalysis. Is there any other helpful tool to do these two jobs? I use GROMACS to run simulations.

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