NAMD

License Arrangements

This software is installed with a non-commercial use license. Access to this software is restricted. User must agree to the license, found here. After reading/agreeing to the terms of the license, please email arc-help@lists.leeds.ac.uk to get access to the software.

Example submission script

An example script, namdexample.sh, looks like:

This example requests 8 cores for 12 hours, with each core limited to 1Gb of RAM. It assumes that you are submitting the job from the directory containing your input files.

Note: prior to NAMD 2.9, the namd2 binary was called namd2.MPI.