ESDW6

This is a space to contain all of the information associated to ESDW6: Classical MD. Initially the space can be restricted to workshop participants (including remote participants). Once the workshop is complete it can be included in the wider E-CAM space so that others from the project may browse it.

Public Data

The Space team has made the following datasets and collections publicly available. You must be a logged-in member of the Space to access all the datasets and collections.

Datasets

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From Transition Path Sampling (TPS) to Replica Exchange Transition Interface Sampling (RETIS)

Theory, Applications and some demonstration using the PyRETIS program.

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Observable operator models: How to connect Markov state models and path sampling

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ESDW6: Self-assessment Form

E-CAM Extended Software Development Workshops (ESDWs) are primarily training activities. In order to ensure that our talks are aimed at the right level, we would like to know how experienced you already are with several tools.