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add octanol files #2

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orbeckst opened this issue Nov 30, 2020 · 0 comments
Open

add octanol files #2

orbeckst opened this issue Nov 30, 2020 · 0 comments

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@orbeckst
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orbeckst commented Nov 30, 2020

Octanol input files are part of MDPOW.

However, for consistency we should add an octanol directory under https://github.com/Becksteinlab/SAMPL6_logP_data/tree/master/02_top with the files for the force fields.

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