Welcome to grand’s documentation!

Contents:

• grand : Grand Canonical Sampling of Waters in OpenMM
  • Background
  • Installation & Usage
  • Contributors
  • Contact
  • References
• grand package
  • Module contents
  • Submodules
  • grand.potential module
  • grand.samplers module
  • grand.utils module
• Change Log
  • Version 1.0.0
• Examples
  • Example 1: Bovine Pancreatic Trypsin Inhibitor
  • Example 2: Scytalone Dehydratase
  • Example 3: Bulk Water

Indices and tables

• Index

• Module Index

• Search Page