Difference between revisions of "GMIN"
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* [[Global optimization of biomolecules using AMBER9 with Structural Restraints]] |
* [[Global optimization of biomolecules using AMBER9 with Structural Restraints]] |
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* [[Optimization of ligand docking using AMBER9]] |
* [[Optimization of ligand docking using AMBER9]] |
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| + | * [[Restarting a GMIN run from a dump file]] |
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== Scripts == |
== Scripts == |
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Revision as of 16:23, 30 September 2008
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)