Re: [AMBER] gnuplot of DCCM map

From: Hector A. Baldoni via AMBER <amber.ambermd.org>
Date: Fri, 10 May 2024 15:49:34 -0300

Hi Priyasha,

Hello, I hope the following script can serve as a starting point for
you:

#=======
set terminal pngcairo enhanced font 'Arial,12' size 800,600
set output 'dccm_map.png'

set view map
set pm3d map
set cbrange [-1:1]
set palette defined (-1 'blue', 0 'white', 1 'red')

set xlabel 'Eje X' font 'Arial,12,bold'
set ylabel 'Eje Y' font 'Arial,12, bold'
set title 'Mapa de la matriz DCCM' font 'Arial,14,bold'

splot "matrix.gnu" matrix with image

#=========

Regards,
Hector.


El 2024-05-10 03:11, Priyasha Majee via AMBER escribió:
> Dear All,
>
> I am doing DCCM analysis. I am trying to plot the output on gnuplot. I
> used the following output file, matrix.gnu :
>
> 1.000 1.000 1.000
> 1.000 2.000 0.862
> 1.000 3.000 0.721
> 1.000 4.000 0.663
> 1.000 5.000 0.739
> 1.000 6.000 0.671
> 1.000 7.000 0.361
> 1.000 8.000 0.365
> 1.000 9.000 0.287
> 1.000 10.000 -0.053
> 1.000 11.000 -0.140
> 1.000 12.000 -0.105
> 1.000 13.000 -0.261
> 1.000 14.000 -0.431
> 1.000 15.000 -0.424
> 1.000 16.000 -0.376
> 1.000 17.000 -0.465
>
> .......
>
> i used the code:
>
> set view 0,0,1,1
> set pm3d map
> set cbrange [-1:1]
> set palette defined (0 0 0 0, 1 0 0 1, 3 0 1 0, 4 1 0 0, 6 1 1 1)
> splot "matrix.gnu" matrix
>
> i am getting a blank plot. Can someone help me with gnuplot code to
> plot DCCM matrix map?
>
> Thanks in Advance
>
> -Priyasha
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> http://lists.ambermd.org/mailman/listinfo/amber

-- 
--------------------------------------
  Dr. Hector A. Baldoni
  Profesor Titular (FQByF-UNSL)
  Investigador Adjunto (IMASL-CONICET)
  Area de Quimica General e Inorganica
  Universidad Nacional de San Luis
  Chacabuco 917 (D5700BWS)
  San Luis - Argentina
  hbaldoni at unsl dot edu dot ar
  Tel.:+54-(0)266-4520300 ext. 6157
--------------------------------------
2024 - Año de la Defensa de la Vida, la Libertad y la Propiedad.
Decreto 55/2024 GN
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Received on Fri May 10 2024 - 12:00:02 PDT
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