Dear Amber users,
I am trying to calculate the correlation between alfa carbon in my peptide.
My input is as follows :
trajin ../md14.mdcrd.gz 1 50000 1
trajin ../md15.mdcrd.gz 1 50000 1
trajin ../md16.mdcrd.gz 1 50000 1
trajin ../md17.mdcrd.gz 1 50000 1
matrix correl name correlation .CA out CAMcorr.dat
analyse matrix correlation name correl out correlationCA.dat
go
I get my file CAMcorr.dat but i want diagonalizes the matrix.
My problem is that i don't get the file correlationCA.dat and i have the error
message :
Warning in analyseMatrix dstaupd returned info =1
IPARAM(5) = 0
What's happen? I don't understand? What's the problem?
Thanks for advance
Sincerely yours
Julien
--
Julien Pecher
Laboratoire de Biophysique, DMAG, INERIS-EA 3901
Faculte de Pharmacie, 1 rue des Louvels
80037 Amiens Cedex 1, France
Tel: +33 (0)3 2282-7498 Fax: +33 (0)3 2282-7469
email: julien.pecher.u-picardie.fr
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Received on Thu Oct 20 2005 - 10:53:00 PDT
