Hi Raja,
Of course it's possible. The question is, what is the probability that
you observe it. It seems you want to compare simulations. In that
case, single measurements are unlikely to be sufficient. Maybe you
want to check our paper (Wassenaar and Mark, JCC 27 p. 316, 2006). In
that paper we describe a model and method for robust statistical
comparison of simulations, also using RMSIP data.
Cheers,
Tsjerk
On 7/28/06, raja <[EMAIL PROTECTED]> wrote:
Hi Tsjerk,
I computed r.m.s.i.p. between eigvectors trajectory for two halves of
the same simulation, I expected it should be higher value than its other
eigenvectors. But in my case it is showing less than the others, For
example, please look at the below r.m.s.i.p matrix
Wild Mutant1 Mutant2 Mutant3
Wild 0.630693 0.650160 0.65414 0.632176
Mutant1 - - - -
Mutant2 - - - -
Mutant3 - - - -
Other values of the matrix not computed yet, but please comment on this
output, Is it possible? For Wild Vs Wild of 2ns simulation run, I
generated eigenvector trr file using g_covar program for first 0 to 1ps
and it was repeated for 1ps to 2ps. and finally I used both trajectories
to compute r.m.s.i.p. value.
With thanks!
B.Nataraj
--
raja
[EMAIL PROTECTED]
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Tsjerk A. Wassenaar, M.Sc.
Groningen Biomolecular Sciences and Biotechnology Institute (GBB)
Dept. of Biophysical Chemistry
University of Groningen
Nijenborgh 4
9747AG Groningen, The Netherlands
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