File: RunTest.sh

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#!/bin/bash

. ../MasterTest.sh

CleanFiles fix.in order.in reorder.outoforder.parm7 reorder.mdcrd

TESTNAME='Out of order molecules test'
Requires maxthreads 10
INPUT='-i fix.in'

cat > fix.in <<EOF
readinput order.in
EOF

cat > order.in <<EOF
parm outoforder.parm7
trajin min1.crd 1 10
fixatomorder outprefix reorder parmopts nopdbinfo
trajout reorder.mdcrd
EOF
RunCpptraj "$TESTNAME"
DoTest reorder.outoforder.parm7.save reorder.outoforder.parm7 -I %VERSION
DoTest reorder.mdcrd.save reorder.mdcrd

EndTest
exit 0