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 (23 lines) | stat: -rwxr-xr-x 392 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
20
21
22
23
 
#!/bin/bash

. ../MasterTest.sh
CleanFiles corr.in corr.dat cross.dat
TESTNAME='Correlation test'
Requires netcdf
INPUT="-i corr.in"
cat > corr.in <<EOF
parm ../tz2.parm7
trajin ../tz2.nc

distance d1 :2 :12
radgyr rg :1-3 mass nomax 

corr d1 d1 out corr.dat 
corr d1 rg out cross.dat 
EOF
RunCpptraj "$TESTNAME"
DoTest corr.dat.save corr.dat
DoTest cross.dat.save cross.dat
EndTest

exit 0