Expand on nonequilibrium switching

alchemistry / alchemical-best-practices

Best practice document for alchemical free energy calculations going to livecoms journal

Creative Commons Attribution 4.0 International

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Expand on nonequilibrium switching #126

Open jchodera opened 2 years ago

jchodera commented 2 years ago

It would be useful if we could expand on the kind of data that is generated by nonequilibrium switching or cycling calculations and the analysis strategies for these.

mrshirts commented 2 years ago

Do you have a recommendation for a review / set of papers on this? I feel like there's still a little uncertainty about the what the best practices are in this area.