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 (22 lines) | stat: -rwxr-xr-x 474 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
#!/bin/bash

. ../MasterTest.sh

CleanFiles create.in testres.bins.nc
TESTNAME='Create RREMD NetCDF reservoir test'
Requires netcdf maxthreads 1

INPUT='-i create.in'

cat > create.in <<EOF
readdata Eamber.dat name ENE
readdata ../Test_ClusterDihedral/cvt.dat.save name CVT
parm ../tz2.parm7
trajin ../tz2.nc 1 10
createreservoir testres.bins.nc ene ENE:2 bin CVT:2 temp0 350 iseed 2112
EOF
RunCpptraj "$TESTNAME"
NcTest testres.bins.nc.save testres.bins.nc

EndTest
exit 0