Run gromacs from ChatGPT or Claude
Versatile package for molecular dynamics calculations. With BCD, ChatGPT, Claude and other AI apps can install and run gromacs on your own computer and read what it prints.
Works on
- MacWorks
Homebrew has a ready-made build; the AI can install it with
brew install gromacs. - LinuxWorks
Homebrew on Linux has a ready-made build.
- WindowsNot in Homebrew
Homebrew does not run on Windows. If gromacs has a Windows build, BCD can run it in PowerShell.
About gromacs
- Version
- 2026.4
- License
- LGPL-2.1-or-later
- Installs (last 365 days)
- 1,765 · #2,051 in Homebrew
- Homepage
- www.gromacs.org
- Install
brew install gromacs
Try asking
“Install gromacs with Homebrew and show me its version”
“Read gromacs --help and give me three useful examples for my files”
“Update gromacs and tell me what changed”
Depends on
Questions
Can ChatGPT run gromacs on my computer?
Yes. With BCD on your Mac or Linux computer and command permission turned on for it, ChatGPT runs gromacs there and reads the output. Claude and other apps with MCP connectors can too.
Do I need to install gromacs first?
No. If Homebrew is installed, the AI can run brew install gromacs for you.
Is it safe?
A new computer starts read-only: running commands is turned on per computer, and BCD reaches only the folders you allow.
Try it on your computer
BCD connects ChatGPT, Claude and other AI apps to your own Mac, Windows or Linux computer. One computer is free, with 20,000 tool calls a month and no card.
Program data from Homebrew, updated 2026-11-11. Installs are Homebrew's installs on request over the last 365 days.