sietraj download and installation

You will need to register to download the software. Note: The runtime library requires an Intel/AMD Linux system. If you wish to use a different platform, send email to mm-admin@nrc-cnrc.gc.ca.

After downloading, extract the files as follows.

prompt% tar -xvzf sietraj2.tgz

sietraj2/
sietraj2/tables/
sietraj2/tables/amb2syb.txt
sietraj2/tables/sie_settings.txt
sietraj2/bin/
sietraj2/bin/sietraj
sietraj2/bin/sietraj_glibcxx_3.4.15.exe
sietraj2/bin/sietraj_glibcxx_3.4.1.exe
sietraj2/configure.sh
sietraj2/examples/
sietraj2/examples/1VET.mdcrd
sietraj2/examples/1VET.prmtop
sietraj2/examples/1VET.txt
sietraj2/examples/bcl2.mdcrd
sietraj2/examples/1VET.sh
sietraj2/examples/bcl2.sh
sietraj2/examples/bcl2.prmtop
sietraj2/scripts/
sietraj2/scripts/crd2trj.sh
sietraj2/scripts/averages.awk
sietraj2/scripts/crd2trj.awk
sietraj2/scripts/sietraj2

This will extract the files into a subdirectory called sietraj2. Run configure.sh in the sietraj2 folder. This sets the SIEHOME environment variable in sietraj. If you move the sietraj2 directory to another location, re-run configure.sh to redefine SIEHOME. You are now ready to run the examples described in the sietraj main page.

Send feedback, suggestions or queries to mm-admin@nrc-cnrc.gc.ca.