Thanks for your advices. The fact is that even when the input of the eigenvalues is optional in g_anaeig, they must be provided besides the eigenvectors in order to obtain the same result as with the perl script. Williams
-- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists

