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SW:NAMD

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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 Ada and 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 Ada or Terra:

 [ netID@cluster ~]$ ml spider NAMD

To load a particular version of NAMD on Ada or 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.