GMIN

GMIN in all its glory

A program for finding global minima and calculating thermodynamic properties from basin-sampling. The GMIN homepage is located here.

Tutorials

These tutorials are under development. Please correct any mistakes you find and, of course, feel free to add more!

• Global optimization of biomolecules using CHARMM
• Global optimization of biomolecules using AMBER9
• Global optimization of biomolecules using AMBER9 with Structural Restraints
• Optimization of ligand docking using AMBER9

Scripts

• makerestart: A bash script to automatically set up a GMIN restart run (for CHARMM users)