New CHARMM36 port for GROMACS

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GROMACS version: N/A
GROMACS modification: N/A

We are pleased to announce an updated port of the CHARMM36 force field for GROMACS, available at http://mackerell.umaryland.edu/charmm_ff.shtml#gromacs

The July 2020 release corresponds to the annual update to the CHARMM36 force field. Notable revisions include:

  1. NBFIX terms for K+ and Ca2+ ions with carboxylates
  2. New nucleic acid model compounds
  3. CGenFF version 4.4, including amide base model compounds, boronic acid and bicyclic boron “ester” model compounds and associated parameters

Please let me know if you encounter any problems using the force field. Happy simulating!

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