diff --git a/benchmarks/QMMM_MQAE/README.md b/benchmarks/QMMM_MQAE/README.md index 0e183c159f..690d29ae14 100644 --- a/benchmarks/QMMM_MQAE/README.md +++ b/benchmarks/QMMM_MQAE/README.md @@ -13,6 +13,8 @@ The QM/MM coupling is described with the Gaussian Expansion of the Electrostatic Potential (GEEP) method, and the bonds between theQM and MM atoms are treated using the Generalized Hybrid Orbital (GHO) method. +See also https://doi.org/10.1021/acs.jctc.9b00424 + ## Files description ``MQAE.inp`` - CP2K input file.