File: RunTest.sh

package info (click to toggle)
cpptraj 5.1.0%2Bdfsg-5
  • links: PTS, VCS
  • area: main
  • in suites: forky, sid
  • size: 139,188 kB
  • sloc: cpp: 145,622; ansic: 34,635; sh: 11,365; f90: 971; makefile: 770; awk: 242
file content (19 lines) | stat: -rwxr-xr-x 395 bytes parent folder | download | duplicates (2) 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
 
#!/bin/bash

. ../MasterTest.sh

CleanFiles avg.in output.dat avg.dat

INPUT="-i avg.in"
cat > avg.in <<EOF
readdata perres.peptide.dat
avg perres.peptide.dat out output.dat name V
avg perres.peptide.dat oversets out avg.dat name Over
runanalysis
EOF
RunCpptraj "Data set averaging and averaging over all sets test."
DoTest output.dat.save output.dat
DoTest avg.dat.save avg.dat

EndTest
exit 0