AMBER Archive (2005)

Subject: AMBER: porblem in ptraj

From: julien (julien.pecher_at_u-picardie.fr)
Date: Thu Oct 20 2005 - 04:19:47 CDT


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_at_u-picardie.fr ----------------------------------------------------------------------- The AMBER Mail Reflector To post, send mail to amber_at_scripps.edu To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu