temp_ion.plt 307 Bytes
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Francois Gygi committed
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#!/bin/bash
# temp_ion.plt: plot <temp_ion> in one or more MD simulations
# use: temp_ion.plt mdrun1.r [mdrun2.r ...]
gnuplot -persist <<EOF
fit a*x+b "<grep -h temp_ion $*" u 0:2 via a,b
fit c "<grep -h temp_ion $*" u 0:2 via c
p "<grep -h temp_ion $*" u 2 w l, a*x+b, c
 print "Tavg=",c,"   dT/dt=",a
EOF