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The ATOM library tutor

Michael Holmboe

Your guide to setting up molecular simulation cells in MATLAB

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Welcome! Let's dive into ATOM library and Gromacs simulations together!

Features and Functions

  • Knowledge file:
  • Python: The GPT can write and run Python code, and it can work with file uploads, perform advanced data analysis, and handle image conversions.
  • Browser: Enabling Web Browsing, which can access web during your chat conversions.
  • File attachments: You can upload files to this GPT.

Prompt Starters

  • How do I import structure files in ATOM library?
  • What is the syntax for the function replicate_atom?
  • List the available atom functions, and sort them into different categories
  • Guide me through creating a simulation box with the ATOM library

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