[gmx-users] covar warning
venkat
azbvenkat at gmail.com
Fri Jun 1 13:48:31 CEST 2018
Hi,
For PCA analysis i tried to run covar tool for my task, i got following
warning
"
WARNING: there are fewer frames in your trajectory than there are
degrees of freedom in your system. Only generating the first
400 out of 3564 eigenvectors and eigenvalues.
"
Why it generating 400 out of 3564 eigevectors, How rectify this warning ?
kindly help . (Command used : gmx_mpi covar -s prot_only-apo.pdb -f
PROTEIN.xtc -v eigenvect.trr -xpma covara.xpm)
Thank you
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