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. Regards, Sunita Patel Department of Chemistry Indian Institute of Technology Bombay Powai, Mumbai - 40076 INDIA _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
