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Is gromacs_energies available to download anywhere? #52

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xiaowei-xie2 opened this issue Apr 4, 2023 · 4 comments
Open

Is gromacs_energies available to download anywhere? #52

xiaowei-xie2 opened this issue Apr 4, 2023 · 4 comments

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@xiaowei-xie2
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Hi,

I was wondering is gromacs_energies available to download anywhere?

Thank you,
Xiaowei

@davidlmobley
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Where is this referenced/what exactly are you referring to?

@xiaowei-xie2
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In the README page Manifest section, there is this paragraph:

gromacs_energies: Contains XVG files associated with the most recent (2017) update of FreeSolv calculated values; these files are large and are only available in the archived version of the database and not on GitHub.

I am wondering if this file is available to download?

Thank you,
Xiaowei

@davidlmobley
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Ah, yes, archived version is up on Zenodo: https://zenodo.org/record/1161245#.ZDGBGexuerM

@xiaowei-xie2
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Thank you so much!

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