GROMACS topology file modifiers

These are a set of python scripts that allow a user to modify GROMACS topology files, by adding content from different topology files and other GROMACS input files (.itp files). They are highly useful, particularly when system components are assembled outside of GROMACS, or in different steps within GROMACS. This helps prevent users from having to copy and paste significantly large blocks of text within topology files.

Details

Tool Type:
command-line tool
Programming Languages:
Python
Added:
2/14/2024
Last Updated:
2/15/2024

Operations