GMIN
Revision as of 16:23, 30 September 2008 by import>Csw34 (→Tutorials)
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!
- Compiling GMIN with CHARMM
- Adding a model to GMIN
- 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
- Restarting a GMIN run from a dump file
Scripts
- makerestart: A bash script to automatically set up a GMIN restart run (for CHARMM users)