[gmx-users] PCA projections using g_anaeig

[James Starlight]

Dear Gromacs users!

I'd like to ask about possibility to make projection of the MD trajectory
onto the subset of selected PC calculated by g-covar


e.g using

g_anaeig –v eigenvec.trr –s md.tpr –f md.xtc –first 1 –last 3  -2d


produce projection of the md.xtc onto the 1 and 2 components although 1-3
modes has been calculated. How it would be possible to make the same graph
using 1 and 3rd components instead?


Thanks for help,

James