[gmx-users] Fwd: DFTB implementation

[Zhenyu Meng]

Dear all,
I plan to do some QM/MM simulation using GROMACS. I read some papers which
mentioned using GROMACS to do SCC-DFTB but no detail is provided.
I wonder whether GROMACS can fulfill DFTB calculation directly? Or do I
need to install some other software?

-- 
Sincerely,
Mr. Meng Zhenyu
Division of Chemistry and Biological Chemistry
School of Physical and Mathematical Sciences
Nanyang Technological University