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
_________________________________________________________________
MSN Hotmail, o maior webmail do Brasil.
http://www.hotmail.com
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Thu Dec 14 2006 - 05:00:06 PST
