Difference between revisions of "OPTIM"
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A program for optimizing geometries and calculating reaction pathways. The OPTIM homepage is located [http://www-wales.ch.cam.ac.uk/OPTIM/ here]. |
A program for optimizing geometries and calculating reaction pathways. The OPTIM homepage is located [http://www-wales.ch.cam.ac.uk/OPTIM/ here]. |
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| + | ==Info== |
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| + | * [[The effect of calculating less than the maximum number of eigenvalues using ENDHESS n]] |
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== Tutorials == |
== Tutorials == |
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These tutorials are under development. Please correct any mistakes you find and, of course, feel free to add more! |
These tutorials are under development. Please correct any mistakes you find and, of course, feel free to add more! |
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| − | * [[ |
+ | * [[Adding a model to OPTIM]] |
| + | * [[OPTIM output files]] |
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| + | * [[Minimizing a structure using OPTIM and AMBER9]] |
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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)]] |
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| + | * [[Debugging odd transition states in OPTIM]] |
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Latest revision as of 13:15, 2 December 2009
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!