Gromacs
Overview
Gromacs: A free and open-source software suite for high-performance molecular dynamics and output analysis.
Using
Use the module name gromacs
to discover versions available and to load the application.
Multicore
The gromacs
application has been been built with multicore, multi node and gpu functionality enabled.
Since versions have been built with OpenMPI, the gmx related command available is gmx_mpi
.