polyply_1.0 icon indicating copy to clipboard operation
polyply_1.0 copied to clipboard

[2] Add/ol21

Open fgrunewald opened this issue 1 year ago • 0 comments

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:

  • [x] single point energy calculation as comparison

fgrunewald avatar Feb 08 '23 13:02 fgrunewald