Monday, November 25, 2013

gnuplot: some scripts and tips



script:
COLVAR gnuplot script.
set xrange [0:1]
set yrange [0:10]
plot "COLVAR" u ($1/120*20*0.0242*6/1000):2 t "CV  C1" w l, \
     "COLVAR" u ($1/120*20*0.0242*6/1000):3 t "    C2" w l, \
     "COLVAR" u ($1/120*20*0.0242*6/1000):4 t "    F1" w l, \
     "COLVAR" u ($1/120*20*0.0242*6/1000):5 t "an  F2" w l, \
     "COLVAR" u ($1/120*20*0.0242*6/1000):6 t "    H1" w l, \
     "COLVAR" u ($1/120*20*0.0242*6/1000):7 t "    H2" w l, \
     "COLVAR" u ($1/120*20*0.0242*6/1000):8 t "    H3" w l, \
     "COLVAR" u ($1/120*20*0.0242*6/1000):9 t "    H4" w l, \
     "COLVAR" u ($1/120*20*0.0242*6/1000):10 t "    H5" w l
set output "colvar.jpg"
set terminal jpeg
replot
-----------------------------------------------------------------------------------------
KS energy script file
set xrange [0:29.1]
set yrange [0:160]
plot "ENERGIES" u ($1*0.0242*6/1000):($4+55.9)*2625.50/4.18 notitle w l
set output "1000k-ch3oh-o2-no4-Eksvstime-ps-v2.jpg"
set terminal jpeg
replot
---------------------------------------------------------------------------------------
multiple script file

set output "h-so2-Eksvstime-sprint-ps.jpg"
set terminal jpeg


set multiplot layout 3,1
#set tmargin 0.2
#set bmargin 0.8
set lmargin 5
#set rmargin 5

set xrange [0:4.35]
set yrange [0:320]
set ytic 0,50,300
set format x " "
plot "ENERGIES" u ($1-10500)*6*0.0242/1000:(($4+42.54)*2625.50) notitle w l



set xrange [0:4.35]
set yrange [0:80]
set ytic 0,20,60
set format x " "
plot "ENERGIES" u ($1-10500)*6*0.0242/1000:($2*2625.50) notitle w l



set xrange [0:4.35]
set yrange [0:3.0]
set ytic 0,1.0,2.5
set key center bottom
set key spacing .6
set key font ",6"
set format x " %g "
plot "COLVAR" u ($1/120*20-10500)*6*0.0242/1000:2 t "SPRINT S1" w l, \
     "COLVAR" u ($1/120*20-10500)*6*0.0242/1000:3 t "       O1" w l, \
     "COLVAR" u ($1/120*20-10500)*6*0.0242/1000:4 t "       O2" w l, \
     "COLVAR" u ($1/120*20-10500)*6*0.0242/1000:5 t "       H1" w l

unset multiplot
set output

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