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#!/bin/bash
. ../MasterTest.sh
CleanFiles cif.in 1LE1.pdb temp?.crd
TESTNAME='CIF tests'
Requires maxthreads 6
INPUT="-i cif.in"
UNITNAME='CIF read test'
CheckFor notparallel
if [ $? -eq 0 ] ; then
cat > cif.in <<EOF
parm 1LE1.cif
trajin 1LE1.cif
trajout 1LE1.pdb
EOF
RunCpptraj "$UNITNAME"
DoTest 1LE1.pdb.save 1LE1.pdb
fi
# Test read with offset
cat > cif.in <<EOF
parm 1LE1.pdb.save
trajin 1LE1.pdb.save 3 last 3
trajout temp1.crd
EOF
RunCpptraj "Generate offset traj from PDB"
cat > cif.in <<EOF
parm 1LE1.cif
trajin 1LE1.cif 3 last 3
trajout temp2.crd
EOF
RunCpptraj "Generate offset traj from CIF"
DoTest temp1.crd temp2.crd
EndTest
exit 0
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