NAMD is a molecular dynamics program and it's been developed by the Theoretical and Computational Biophysics Group (TCB) and the Parallel Programming Laboratory (PPL) at the University of Illinois at Urbana–Champaign. More information can be found at here or the Wikipedia page here
It is written using the Charm++ parallel programming model. More information can be found here.
The following versions are installed:
2.13 multicore-cuda (default) 2.13 multicore 2.13 singlecore
Loading the module¶
The module can be loaded using one of the following depending on your needs.
module load apps/namd/2.13-multicore-cuda module load apps/namd/2.13-multicore module load apps/namd/2.13-singlecore