[gmx-users] R.M.S.I.P for identical eigenvectors not equal to 1 ?

raja raja_28 at fastmail.us
Fri Jul 28 10:46:29 CEST 2006


Dear all,

I have written small perl script to compute R.M.S.I.P.(Root mean square
internal product) for comparing two eigen vectors set from two different
simulation. I compared first 10 eigen vectors of each set. The strange
thing is that while I compare eigen vectors of same simulation, it is
showing a value of 0.54, but literature says, r.m.s.i.p of 1 indicates
that the sets are identical, while a value of 0 indicates that the
eigenvectors are orthogonal. I also confirmed my script validity by
manually computing the R.M.I.P for small set of values.

Could any body explain me a bit regarding this issue?

With thanks!
B.Nataraj
-- 
  raja
  raja_28 at fastmail.us

-- 
http://www.fastmail.fm - A fast, anti-spam email service.




More information about the gromacs.org_gmx-users mailing list