Compute Canada

How do I set up my environment for NAMD2?

Please note: The FAQ pages at the HPCVL website are continuously being revised. Some pages might pertain to an older configuration of the system. Please let us know if you encounter problems or inaccuracies, and we will correct the entries.

The setup for NAMD is very simple. It is only necessary to put the directory with the executables, /opt/namd/2.7/32bit into the $PATH variable:

export PATH="/opt/namd/2.7/32bit:"$PATH (for bash)

This can also be done through the usepackage setup by simply typing:

use namd