[gmx-users] QMMM with GROMACS and DFTB3

[S M Bargeen Turzo]

Hello everyone,

I was wondering if GROMACS 2016(or 2018) can be interfaced with any QM
program like GAMESS-US or ORCA.
So far from my searches I found out that it can be done using GROMACS
version 5 and DFTB3 according to this website:
http://cbp.cfn.kit.edu/joomla/index.php/downloads/18-gromacs-with-qm-mm-using-dftb3

However the official gromacs website does not mention anything about DFTB3
or ORCA, so I need some guidance here regarding which version of GROMACS
should I be compiling with which QM program.


Thanks
-Bargeen