NAMD
Description
NAMD is a fast, parallel, and scalable molecular dynamics program
designed for high-performance simulation of large biomolecular systems.
NAMD is distributed free of charge with source code. It is developed in
conjunction with VMD. It is also file-compatible with AMBER, CHARMM, and
X-PLOR.
Homepage: NAMD
Access
Loading the Module
There are a variety of NAMD modules supported on Terra. For more information, see our modules page.
Make sure you have a clean environment before getting started:
[ NetID@cluster ~]$
ml purge
To see all versions of NAMD available on Terra:
[ NetID@cluster ~]$
ml spider NAMD
To load a particular version of NAMD on Terra:
[ NetID@cluster ~]$
ml NAMD/2.14-intel-2020a-mpi
NOTE: Pay close attention to the information following the version number of the module. This is called the toolchain. This information describes what other modules will be loaded with NAMD. These modules will be disrupted by use of extraneous modules of different toolchains, so please purge all unnecessary modules prior to using NAMD.