econst.plt 300 Bytes
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Francois Gygi committed
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#!/bin/bash
# econst.plt: plot <econst> in one or more MD simulations
# use: econst.plt mdrun1.r [mdrun2.r ...]
gnuplot -persist <<EOF
fit a*x+b "<grep -h econst $*" u 0:2 via a,b
fit c "<grep -h econst $*" u 0:2 via c
p "<grep -h econst $*" u 2 w l, a*x+b, c
print "Econst_avg=",c,"   dE/dt=",a
EOF