[gmx-users] Fwd: DFTB implementation

Zhenyu Meng fdmm1989 at gmail.com
Fri Jul 31 11:12:16 CEST 2015

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?

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

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