Incorrect description of amber14SB

User discussions
1

In the http://www.gromacs.org/Downloads/User_contributions/Force_fields
when I download the amber14sb.ff.tar.gz force field, the description in the forcefield.doc incorrectly lists amber99sb-ildn. This obviously leads to lots of confusion when choosing force fields! Below is a suggested replacement:

AMBER14SB for protein, ff99bsc0 for DNA; ff99bsc0_chiOL3 for RNA

  • The primary publication (please cite it) is *
  • ff14SB: Improving the Accuracy of Protein Side Chain and *
  • Backbone Parameters from ff99SB *
  • J.A. Maier, C. Martinez, K. Kasavajhala, L. Wickstrom, *
  • K.E. Hauser, C. Simmerling *
  • J. Chem. Theory Comput., 11 (2015), p. 3696 *
2

Thank you for the comment.
Just to avoid confusion in other users, the file you downloaded is a user contribution. “These force fields are provided by volunteer contributors on an as-is basis. The GROMACS team implies no warranty by hosting them here. If you plan to use any of these force fields, you should make sure you test them for correctness on your system and let people know what you observe (good or bad!).” from the page link.

Best regards
Alessandra

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