[gmx-users] eigenvectors in eigenvec.trr file

sunita at chem.iitb.ac.in sunita at chem.iitb.ac.in
Wed May 9 13:36:22 CEST 2007

Dear Users,

Covarience analysis is performed on Calpha atoms of the peptide
simulation. g_covar writes eigenvectors to a trajectory file
(eigenvec.trr).I converted this file into readable format by using
gmxdump.It gives the eigenvectors with eigenvector number as timestamp.
t=0 corresponds to average structure as mentioned in the manual and the
remaining timestamps t=1...3N refer to the eigenvectors 1 to 3N. But
insteat of 3N number of timestamps I am getting 3N+1 eigenvectors from the
file eigenvec.trr.

What exactly (3N+1)th timestamp of the file eigenvec.trr refers?
Thanks in advance.

Sunita Patel
Department of Chemistry
Indian Institute of Technology Bombay
Powai, Mumbai - 40076

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