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 (20 lines) | stat: -rwxr-xr-x 340 bytes parent folder | download
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
#!/bin/bash

. ../MasterTest.sh

CleanFiles compare.in parm.diff

INPUT="-i compare.in"
TESTNAME='Compare topology test'
Requires notparallel

cat > compare.in <<EOF
parm Protein.ff14SB.parm7
parm Protein.ff99.parm7
comparetop parmindex 0 parmindex 1 out parm.diff
EOF
RunCpptraj "$TESTNAME"
DoTest parm.diff.save parm.diff

EndTest
exit 0