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#!/bin/bash
. ../MasterTest.sh
CleanFiles ptraj.in contacts.dat byres.dat byres.dat.native
TESTNAME='Contacts test'
Requires netcdf notparallel
TOP="../tz2.truncoct.parm7"
INPUT="ptraj.in"
cat > ptraj.in <<EOF
trajin ../tz2.truncoct.nc
reference ../tz2.truncoct.nc 1
contacts first out contacts.dat :2-12@CA
contacts reference out byres.dat byresidue
EOF
RunCpptraj "Contacts test."
DoTest contacts.dat.save contacts.dat
DoTest byres.dat.save byres.dat
DoTest byres.dat.native.save byres.dat.native
EndTest
exit 0
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