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[2] Add/ol21 #301

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[2] Add/ol21 #301

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@fgrunewald fgrunewald commented Feb 8, 2023 •
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adding DNA & RNA force-field from:

https://fch.upol.cz/ff_ol/gmxOL21.php

As validation single point energies were computed and compared to the pdb2gmx obtained ones.

To Do:

  • single point energy calculation as comparison

@fgrunewald fgrunewald changed the title Add/ol21 [2] Add/ol21 Aug 16, 2023
@fgrunewald fgrunewald added the DNA_extension Part of the DNA extension project label Aug 16, 2023
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@lgruenewald can you check for a couple of sequences that the energies produced by this itp and a pdb2gmx itp are the same?

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@fgrunewald @lgruenewald