File: RunTest.sh

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#!/bin/bash

. ../MasterTest.sh

# Clean
CleanFiles temp.in rmsd.dat
TESTNAME='Selection by atom type test'
Requires netcdf
# Test
cat > temp.in <<EOF
noprogress
trajin ../tz2.nc 
rms R0 first out rmsd.dat @%CT
EOF
INPUT="temp.in"
TOP="../tz2.parm7"
RunCpptraj "Selection by atom type test."
DoTest rmsd.dat.save rmsd.dat

EndTest

exit 0