Published February 4, 2025
| Version 1.0
Dataset
Open
IDP Replica Exchange with Solute Tempering (REST2) Tutorial
Description
IDP Replica Exchange with Solute Tempering (REST2) Tutorial
The associated REST2 trajectory files in the xtc format accompany the GitHub tutorial (https://github.com/paulrobustelli/IDP_REST_tutorial).
Each xtc trajectory within the compressed file. Both temperature and demultiplexed trajectories are found within. The temperature replicas corresponds one of the 10 effective temperatures between 300 to 450 K and numbered in order of increasing solute temperature.
Files
Files
(423.0 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:994e289fc45967bacfe163b529f990ed
|
137.4 MB | Download |
|
md5:82c36ddd5db1f312669b71b56dad73be
|
285.6 MB | Download |
Additional details
Software
- Repository URL
- https://github.com/paulrobustelli/IDP_REST_tutorial
- Programming language
- Python , Shell
- Development Status
- Active