[AMBER] CPPTRAJ gnu extension not working

From: anu chandra <anu80125.gmail.com>
Date: Tue, 30 Apr 2019 13:00:08 -0400

Hello Amber users,

I am trying to visualize the matrix output from cross correlation analysis
in gnuplot, by using a .gnu extension. However, gnu output file failed have
required gnuplot heads. The following cpptraj command was used for the

parm parm.top

trajin 1md.nc
trip :WAT,Na+
autoimage origin

reference pdb1.pdb
rms reference out rmsd_CA_1-450.txt :1-450.CA

matrix correl :1-450.CA out matrix.gnu byatom

However, the file 'matrix.gnu' do not have the required gnuplot labels.

   1.000 1.000 1.000
   1.000 2.000 0.814
   1.000 3.000 0.568
   1.000 4.000 0.354
   1.000 5.000 0.182

Any help would be highly appreciated

Many thanks in advance
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Received on Tue Apr 30 2019 - 10:30:02 PDT
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