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

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Lumen97 opened this issue Dec 5, 2022 · 2 comments
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Which local version of ligpargen does the website version correspond to #17

Lumen97 opened this issue Dec 5, 2022 · 2 comments

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@Lumen97
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Lumen97 commented Dec 5, 2022

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@Lumen97
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Lumen97 commented Dec 5, 2022

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

@Isra3l
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Isra3l commented Aug 5, 2024

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.

@Isra3l Isra3l closed this as completed Aug 5, 2024
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@Isra3l @Lumen97