https://github.com/nnairiitk/enhanced_sampling_methods_tutorials
Tutorials of few enhanced sampling methods along with bash script to run the method in a single shot..
https://github.com/nnairiitk/enhanced_sampling_methods_tutorials
md metadynamics remd rest2 tamd tass umbellasampling
Last synced: about 1 year ago
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Tutorials of few enhanced sampling methods along with bash script to run the method in a single shot..
- Host: GitHub
- URL: https://github.com/nnairiitk/enhanced_sampling_methods_tutorials
- Owner: NNairIITK
- Created: 2019-02-01T16:26:38.000Z (over 7 years ago)
- Default Branch: master
- Last Pushed: 2021-02-11T16:38:17.000Z (over 5 years ago)
- Last Synced: 2025-03-24T03:05:00.867Z (over 1 year ago)
- Topics: md, metadynamics, remd, rest2, tamd, tass, umbellasampling
- Language: Shell
- Homepage:
- Size: 3.78 MB
- Stars: 44
- Watchers: 4
- Forks: 17
- Open Issues: 1
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Metadata Files:
- Readme: README.md
Awesome Lists containing this project
README
# Enhaced Sampling Methods Tutorials
* Molecular Dynamics(**MD**): Will be updated soon
* Umbrella Sampling([**US**](https://github.com/NNairIITK/Enhanced_Sampling_Methods_Tutorials/tree/master/Umbrella_Sampling)) : will be updated soon
* Metadynamics([**METAD**](https://github.com/NNairIITK/Enhanced_Sampling_Methods_Tutorials/tree/master/Metadynamics)) : Will be updated soon
* Replica Exchange MD([**REMD**](https://github.com/NNairIITK/Enhanced_Sampling_Methods_Tutorials/tree/master/Replica_Exchange_MD))
: Updated
* Well Sliced Metadynamics(**WS-METAD**) : Will be updated soon
* Replica Exchange Solute Scaling([**REST2**](https://github.com/NNairIITK/Enhanced_Sampling_Methods_Tutorials/tree/master/REST2))
: Updated
* Temperature Accelerated Sliced Sampling([**TASS**](https://github.com/NNairIITK/Enhanced_Sampling_Methods_Tutorials/tree/master/TASS)) : Updated
* Temperature Accelerated Molecular Dynamics([**TAMD**](https://github.com/NNairIITK/Enhanced_Sampling_Methods_Tutorials/tree/master/TAMD)) : Updated
* Bias Exchange Metadynamics(**BE-MetaD**): Will be updated soon
* Parellel_Bias Metadynamics(**PB-MetaD**): Will be updated soon
**Tutorials Website**:[**The NNN Group**](https://sites.google.com/view/the-nnn-group/home)
**Keep looking at this page for more updates**
Cheers !!!
Anji Babu