Category: chemistry/molecular dynamics program
('free for non-commercial use')
Commands: charmrun-impi namd2-impi (ipmi version, recommended)
charmrun-shm namd2-shm shared-memory multicore version
charmrun-prebuilt-shm namd2-prebuilt-shm pre-built upstream binary (for reference, slower)
Documentation: $NAMD_DOC_DIR (/opt/bwhpc/common/chem/namd/2.11/doc)
Citing: 'NAMD was developed by the Theoretical and Computational Biophysics Group in
the Beckman Institute for Advanced Science and Technology at the University
of Illinois at Urbana-Champaign.'
Examples: $NAMD_EXA_DIR (/opt/bwhpc/common/chem/namd/2.11/bwhpc-examples)
The variables and commands are available after loading 'chem/namd/2.11'.