GMIN
Revision as of 13:05, 17 July 2009 by import>Jwll2
A program for finding global minima and calculating thermodynamic properties from basin-sampling. The GMIN homepage is located here.
Compiler compatibility
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
- Using the implicit membrane model IMM1
Scripts
- makerestart: A bash script to automatically set up a GMIN restart run (for CHARMM users)