[gmx-users] QMMM with GROMACS and DFTB3

S M Bargeen Turzo smbargeen.turzo.2016 at owu.edu
Mon Mar 26 21:38:57 CEST 2018

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:

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.


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