[AMBER-Developers] DNA conformation dataset

From: Josh Berryman <the.real.josh.berryman.gmail.com>
Date: Tue, 18 Aug 2020 17:04:53 +0200

Hi devs, I have a set of DFT energies for DNA structures, which might
(optimism) be useful for forcefield training/validation.

Without getting into a discussion of basis sets, or any of those nice
vexing questions which belong on a forum such as cclist, can anyone suggest
database projects to deposit such a set? In terms of the type of
calculation it would be a good fit for the NOMAD materials database but I
am wondering if there is a specific similar place for biomolecules.

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Received on Tue Aug 18 2020 - 08:30:02 PDT
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