Bash shell scripts that process GROMACS files for automating a series of molecular-dynamics (MD) simulations on NERSC supercomputer.
-
Updated
Nov 24, 2021 - Shell
Bash shell scripts that process GROMACS files for automating a series of molecular-dynamics (MD) simulations on NERSC supercomputer.
Add a description, image, and links to the molecular-dynamics-simulations topic page so that developers can more easily learn about it.
To associate your repository with the molecular-dynamics-simulations topic, visit your repo's landing page and select "manage topics."