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#!/bin/bash
. ../MasterTest.sh
CleanFiles lowest.in lowest.dat All.agr
INPUT="-i lowest.in"
Test1() {
cat > lowest.in <<EOF
parm ../tz2.parm7
trajin ../tz2.nc
rms myrmsd @CA
lowestcurve points 10 myrmsd out lowest.dat
EOF
RunCpptraj "LowestCurve test"
}
cat > lowest.in <<EOF
readdata esurf_vs_rmsd.dat.txt index 1 name MyData
list dataset
runanalysis lowestcurve MyData points 10 step 0.2 name Lowest
writedata All.agr MyData Lowest xprec 8.5
EOF
RunCpptraj "LowestCurve test"
DoTest All.agr.save All.agr
EndTest
exit 0
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