Difference between revisions of "OPTIM"
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import>Jmc49 (New page: A program for optimizing geometries and calculating reaction pathways. The OPTIM homepage is located [http://www-wales.ch.cam.ac.uk/OPTIM/ here]. ==Info== * [[The effect of calculating l...) |
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* [[OPTIM output files]] |
* [[OPTIM output files]] |
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* [[Minimizing a structure using OPTIM and AMBER9]] |
* [[Minimizing a structure using OPTIM and AMBER9]] |
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| + | * [[Minimizing a structure using OPTIM and CHARMM]] |
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* [[Creating movies (.mpg) of paths using OPTIM]] |
* [[Creating movies (.mpg) of paths using OPTIM]] |
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* [[Performing a normal mode analysis of a biomolecule using OPTIM (AMBER and CHARMM)]] |
* [[Performing a normal mode analysis of a biomolecule using OPTIM (AMBER and CHARMM)]] |
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* [[Debugging odd transition states in OPTIM]] |
* [[Debugging odd transition states in OPTIM]] |
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* [[Connecting two minima with a pathway]] - step by step |
* [[Connecting two minima with a pathway]] - step by step |
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| + | * [[Instanton tunneling and classical rate calculations with OPTIM]] |
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Latest revision as of 12:10, 11 September 2013
A program for optimizing geometries and calculating reaction pathways. The OPTIM homepage is located here.
Info
Tutorials
These tutorials are under development. Please correct any mistakes you find and, of course, feel free to add more!
- Adding a model to OPTIM
- OPTIM output files
- Minimizing a structure using OPTIM and AMBER9
- Minimizing a structure using OPTIM and CHARMM
- Creating movies (.mpg) of paths using OPTIM
- Performing a normal mode analysis of a biomolecule using OPTIM (AMBER and CHARMM)
- Debugging odd transition states in OPTIM
- Connecting two minima with a pathway - step by step
- Instanton tunneling and classical rate calculations with OPTIM