<html><head><meta name="color-scheme" content="light dark"></head><body><pre style="word-wrap: break-word; white-space: pre-wrap;">#!/bin/tcsh

grep "      1      " single.mdout &gt; ene.dat
grep " BOND    =" single.mdout &gt; bond-ang-dihed.dat
grep " VDWAALS =" single.mdout &gt; vdw-eel.dat
grep " 1-4 VDW =" single.mdout &gt; 1-4vdw-eel.dat

perl ~/scripts/stdcalc.perl ene.dat &gt; avg-ene.dat
perl ~/scripts/stdcalc.perl bond-ang-dihed.dat &gt; avg-bond-ang-dihed.dat
perl ~/scripts/stdcalc.perl vdw-eel.dat &gt; avg-vdw-eel.dat
perl ~/scripts/stdcalc.perl 1-4vdw-eel.dat &gt; avg-1-4vdw-eel.dat

rm ene.dat bond-ang-dihed.dat vdw-eel.dat 1-4vdw-eel.dat
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