File: RunTest.sh

package info (click to toggle)
cpptraj 5.1.0%2Bdfsg-4
  • links: PTS, VCS
  • area: main
  • in suites: sid, trixie
  • size: 138,900 kB
  • sloc: cpp: 145,621; ansic: 34,635; sh: 11,365; f90: 971; makefile: 770; awk: 242
file content (25 lines) | stat: -rwxr-xr-x 364 bytes parent folder | download
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
#!/bin/bash

. ../MasterTest.sh

CleanFiles proj.in project.dat

TESTNAME='PC projection test'
Requires netcdf

TOP=../tz2.parm7
TRJ=../tz2.nc

INPUT="proj.in"

cat > proj.in <<EOF
trajin $TRJ
readdata tz2.modes.mwcovar.dat
projection modes tz2.modes.mwcovar.dat @CA out project.dat
EOF
RunCpptraj "Projection"
DoTest project.dat.save project.dat

EndTest

exit 0