Gromacs

Owned by Simon Alexander, created
Last updated: Apr 22, 2024
1 min read
1 Overview | 2 Using | 2.1 Multicore

Overview

  • Gromacs: A free and open-source software suite for high-performance molecular dynamics and output analysis.

    • Forum: Welcome to the GROMACS community forum. GROMACS is 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.