About
autoGromacs is a simple script to automate GROMACS (http://www.gromacs.org) workflows. This is useful to execute multiple GROMACS simulations with similar parameters.
Based on rsq-gromacs that had its repository located at https://github.com/rsquarelabs/rsq-gromacs.git (which seems to be gone).
Originally written by RSquare Labs, it was further modified by gab0 to have a setup.py and executable scripts.
Development is ongoing.