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#!/bin/bash
. ../MasterTest.sh
CleanFiles ti.in skip.agr curve.agr bs.dat incr.agr incr.crv.agr bs.crv.agr \
avg.dat.save avg.dat
INPUT='-i ti.in'
cat > ti.in <<EOF
readdata dvdl.dat index 1 name TI
ti TI nq 9 name Curve out skip.agr curveout curve.agr bsout bs.dat \
nskip 0,5,10,15,20,30,40,50
ti TI nq 9 name Avg
ti TI nq 9 name Increment avgincrement 10 out incr.agr curveout incr.crv.agr
rng setdefault marsaglia
ti TI nq 9 name Bootstrap bs_samples 20 bs_seed 10 bs_pts 70 out bs.dat curveout bs.crv.agr
runanalysis
list dataset
writedata avg.dat.save Curve[TIcurve]:0 noheader
writedata avg.dat Avg[TIcurve] noheader
EOF
RunCpptraj "TI analysis test."
DoTest skip.agr.save skip.agr
DoTest curve.agr.save curve.agr
DoTest avg.dat.save avg.dat
DoTest bs.dat.save bs.dat
DoTest incr.crv.agr.save incr.crv.agr
EndTest
exit 0
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