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 (26 lines) | stat: -rwxr-xr-x 442 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
26
#!/bin/bash

. ../MasterTest.sh

CleanFiles vol.in vol.dat

TESTNAME='Volume tests'
Requires netcdf

INPUT='-i vol.in'

cat > vol.in <<EOF
parm ../tz2.truncoct.parm7 [OCT]
parm ../tz2.ortho.parm7 [ORTHO]

loadcrd ../tz2.truncoct.nc name T1 parm [OCT]
loadcrd ../tz2.ortho.nc name T2 parm [ORTHO]

crdaction T1 volume Oct out vol.dat
crdaction T2 volume Ortho out vol.dat
EOF
RunCpptraj "$TESTNAME"
DoTest vol.dat.save vol.dat

EndTest
exit 0