Published February 4, 2025 | Version 1.0
Dataset Open

IDP Replica Exchange with Solute Tempering (REST2) Tutorial

  • 1. Dartmouth College

Contributors

Data collector:

Data curator:

  • 1. EDMO icon Dartmouth College

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