AMBER Archive (2004)

Subject: AMBER: ptraj analyze modes question

From: Vlad Cojocaru (Vlad.Cojocaru_at_mpi-bpc.mpg.de)
Date: Thu Oct 07 2004 - 08:17:02 CDT


Dear Amber users,
   I am trying to analyze the modes from PCA analysis by calculating the
rms fluctuation. I am using the following script:

trajin ../../comp_loop_P.mdcrd
analyze modes displ out displacement.dat file evecs.pev beg 1 end 1
analyze modes fluct out fluctuation.dat file evecs.pev beg 1 end 1
go
                
The problem is that my results are always printed on STOUT although I
gave an output file. Could somebody explain to me why?
The file evecs.pev is obtained with analyze matrix command.
Thank you very much
vlad

-- 
Vlad Cojocaru 
Max Planck Institute for Biophysical Chemistry 
Department: 060 
Am Fassberg 11, 37077 Goettingen, Germany 
tel: ++49-551-201.1327 
e-mail: Vlad.Cojocaru_at_mpi-bpc.mpg.de
home tel: ++49-551-9963204  

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