GMIN: Difference between revisions
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== Scripts == |
== Scripts == |
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* [[makerestart]]: A bash script to automatically set up a GMIN restart run |
* [[makerestart]]: A bash script to automatically set up a GMIN restart run (for CHARMM users) |
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Revision as of 17:03, 13 May 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!
- Global optimization of biomolecules using CHARMM
- Global optimization of biomolecules using AMBER9
- Optimization of ligand docking using AMBER9
Scripts
- makerestart: A bash script to automatically set up a GMIN restart run (for CHARMM users)