[gmx-users] DFTB implementation
fdmm1989 at gmail.com
Fri Jul 31 11:02:33 CEST 2015
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
More information about the gromacs.org_gmx-users