AMBER Archive (2006)

Subject: AMBER: coordinate out of bounds

From: Miguel Ferreira (tetrass_at_hotmail.com)
Date: Wed Dec 13 2006 - 19:09:57 CST


Hi

I want to do an ED calculation and used the following script

trajin mds_500ps.mdcrd
rms first @CA
matrix covar name mcovar @CA out mcovar.dat
analyse matrix mcovar out evec.pev vecs 25
go

The calculation takes about 2 minutes and I obtain the output files. However
I also obtain the following error:

ERROR in readAmberTrajectory(): Set #2501 has coordinate out of bounds (i.e.
*****'s)

[3] Done ptraj monomer.top < eigenvectors.in >
eigenvectors.out

I donīt understand this because my trajectory has only 2500 frames. Does
anyone know what this error means?

Thanks
Miguel

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