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 (17 lines) | stat: -rwxr-xr-x 292 bytes parent folder | download | duplicates (2) 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
 
#!/bin/bash

. ../MasterTest.sh

CleanFiles ci.in chiral.dat
TESTNAME='Check chirality test'
Requires netcdf
INPUT="-i ci.in"
cat > ci.in <<EOF
parm ../DPDP.parm7
trajin ../DPDP.nc
checkchirality DPDP out chiral.dat
EOF
RunCpptraj "$TESTNAME"
DoTest chiral.dat.save chiral.dat
EndTest
exit 0