10 actions in 2 pieces of software · ranked by words, meaning and measured trust · 554 ms

1. 1gromacs-mcpfound in code, not yet checkedno passport yet
   • gmx_info

     Return the GROMACS version, build config, binary path, and project root.

   • check

     Check a GROMACS file with ``gmx check``.

   • list_files

     List files in a project work directory.

   • grompp

     Preprocess MDP, structure, and topology into a TPR run input.

   • hbond

     Calculate hydrogen bonds with ``gmx hbond``.

   • run_gmx

     Run any non-blocking gmx subcommand not covered by a dedicated tool.

   • rms

     Calculate RMSD with ``gmx rms``.

   • rmsf

     Calculate residue/atom RMSF with ``gmx rmsf``.

2. 2gromacs-vmd-mcpfound in code, not yet checkedno passport yet

   MCP serverhakanotal/gromacs-vmd-mcp

   • run_gromacs_command

     Run a GROMACS tool. Only whitelisted commands are accepted (see list_available_commands); commands run without a shell, so file names and parameters are passed literally.

   • get_server_info

     Server version, the GROMACS version it is using, configuration and example usage.