Welcome to GateWizard Discussions!

[maurobedoya]

Welcome to GateWizard

This forum is for general discussion about using and developing GateWizard, the Python API and the desktop GUI. It complements the issue trackers, which are for focused bug reports and development tasks.

Post here if you want to:

• Ask for help preparing membrane proteins, building systems, or setting up equilibration on an specific engine
• Get advice on workflows, force fields, or simulation design
• Ask how the Python API works or how to script GateWizard
• Ask about installing or using the GateWizard GUI (Windows, Linux/WSL, macOS)
• Share interesting work you’ve done with GateWizard
• Discuss MD methodology that relates to GateWizard but isn’t specific to a bug (e.g. equilibration strategies, membrane protocols)

Open an issue instead if you want to:

• API repo (gatewizard): report a bug in the library, docs, or examples; request an API feature
• GUI repo (gatewizard-gui): report a bug in the desktop app, installer, or UI; request a GUI-specific feature

When opening an issue, please say whether you’re using the Python API, the GUI, or both, and include versions (e.g. gatewizard version, GUI release, OS).

Before posting: check the documentation and the GUI README. For GUI install problems, include your OS and relevant log paths (see GUI README).

Please be respectful toward everyone here. This is a community we build together!.

Introduce yourself: comment below, who you are and how you use GateWizard (research, teaching, industry, hobby MD, etc.).