Which local version of ligpargen does the website version correspond to

Isra3l / ligpargen

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Which local version of ligpargen does the website version correspond to #17

Closed Lumen97 closed 2 months ago

Lumen97 commented 1 year ago

I encountered compatibility problems when using feprepare https://feprepare.vi-seem.eu/

Isra3l commented 2 months ago

Hey Lumen97,

Fepprepare is created and maintained by the Cournia lab. They obtained a version of LigParGen used in the server from Leela's GitHub repository. As far as I know, they implemented the FEP part from scratch and use LigParGen only to generate the initial parameters of each molecule.