IDP Replica Exchange with Solute Tempering (REST2) Tutorial
收藏NIAID Data Ecosystem2026-05-02 收录
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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.
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2025-02-06
