[gmx-users] PCA_RMS fluctuation per residue?

[Tsjerk Wassenaar]

Hi Rajiv,

Square the values, sum them per residue and take the square root.

Cheers,

Tsjerk

On May 8, 2013 7:24 AM, "라지브간디" <rajiv at kaist.ac.kr> wrote:

Dear gmx users,


I've done covariance matrix for backbone of protein using g_covar command.


Also, can able to plot all projections through g_anaeig.


However, I could only able to do -rmsf: plot the RMS fluctuation per atom
of eigenvectors BUT i wants to do them per residue? How can i achieve this?


In manual it shows -filt: command filter the trajectory to show only the
motion along eigenvectors. How i do visualize this kind of motions?






Rajiv

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