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#!/bin/bash
. ../MasterTest.sh
# Clean
CleanFiles goodrmsd.dat badrmsd.dat goodtraj.in brokentraj.in zip.gz zip.in ziprmsd.dat
TESTNAME='Broken trajectory tests'
Requires notparallel
# Test 1
cat > goodtraj.in <<EOF
noprogress
parm ../tz2.parm7
trajin ../tz2.crd 1 100
rmsd :2-18@N,CA,C out goodrmsd.dat
EOF
INPUT="-i goodtraj.in"
RunCpptraj "Broken Traj: Running good trajectory."
# Test 2
cat > brokentraj.in <<EOF
noprogress
parm ../tz2.parm7
trajin broken.tz2.crd
rmsd :2-18@N,CA,C out badrmsd.dat
EOF
INPUT="-i brokentraj.in"
RunCpptraj "Broken Traj: Running broken trajectory."
DoTest goodrmsd.dat badrmsd.dat
# Test 3
UNITNAME='Compressed broken trajectory test'
CheckFor zlib
if [ $? -eq 0 ] ; then
cp broken.tz2.crd zip
gzip zip
cat > zip.in <<EOF
noprogress
parm ../tz2.parm7
trajin zip.gz
rmsd :2-18@N,CA,C out ziprmsd.dat
EOF
INPUT="-i zip.in"
RunCpptraj "$UNITNAME"
DoTest goodrmsd.dat ziprmsd.dat
fi
EndTest
exit 0
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